#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqg n ALA 35 N 0.00 -1.99 -1.66 2.61 0.00 -1.26 -4.93 120.51 113.29 1kqg n ALA 35 Ca 0.00 -0.34 -0.36 0.00 0.00 0.00 0.00 53.44 52.74 1kqg n ALA 35 Cb 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 19.45 17.72 1kqg n ALA 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1kqg s ARG 36 N -2.88 2.60 0.79 0.00 1.70 -1.26 -4.95 118.95 114.96 1kqg s ARG 36 Ca 0.62 1.92 -0.13 0.00 -0.47 0.00 0.00 55.73 57.67 1kqg s ARG 36 Cb -0.31 -1.87 0.07 0.00 -0.57 0.00 0.00 34.95 32.27 1kqg s ARG 36 CO 0.62 -1.52 1.17 1.21 -1.08 0.00 0.00 175.30 175.70 1kqg s ASN 37 N -1.60 3.85 -0.11 -2.89 3.84 -1.26 -4.92 114.94 111.85 1kqg s ASN 37 Ca 0.79 2.23 -0.29 0.00 0.21 0.00 0.00 52.86 55.80 1kqg s ASN 37 Cb -0.33 -2.57 -0.05 0.00 -0.55 0.00 0.00 41.25 37.74 1kqg s ASN 37 CO 0.39 -2.49 1.73 -0.47 -2.79 0.00 0.00 177.10 173.47 1kqg s TYR 38 N -2.31 1.86 -1.31 0.43 5.04 -1.26 -4.90 117.35 114.90 1kqg s TYR 38 Ca 0.70 0.24 0.17 0.00 -2.44 0.00 0.00 57.07 55.75 1kqg s TYR 38 Cb -0.25 -3.98 0.84 0.00 0.35 0.00 0.00 41.96 38.92 1kqg s TYR 38 CO 0.50 -3.81 1.53 0.36 -1.34 0.00 0.00 175.55 172.79 1kqg n LYS 39 N 7.47 0.18 -0.26 4.97 2.85 -1.26 -3.15 118.16 128.97 1kqg n LYS 39 Ca 0.19 0.14 0.07 0.00 -1.05 0.00 0.00 58.31 57.66 1kqg n LYS 39 Cb 0.43 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.51 1kqg n LYS 39 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1kqg n LEU 40 N -1.34 3.26 0.11 -5.58 4.77 -1.26 -4.78 117.00 112.18 1kqg n LEU 40 Ca 0.07 -2.14 0.08 0.00 -0.03 0.00 0.00 56.01 53.99 1kqg n LEU 40 Cb 0.16 -0.32 0.54 0.00 -2.33 0.00 0.00 43.42 41.47 1kqg n LEU 40 CO 0.14 0.76 1.12 -0.07 -1.33 0.00 0.00 177.39 178.02 1kqg h LEU 41 N 2.39 0.22 -2.92 2.23 3.38 -1.96 -2.38 115.31 116.26 1kqg h LEU 41 Ca 0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1kqg h LEU 41 Cb 0.88 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.49 1kqg h LEU 41 CO 0.04 0.16 -0.55 -1.14 0.09 0.00 0.00 178.44 177.03 1kqg n ARG 42 N -4.50 1.03 -2.37 1.13 3.00 -1.26 -5.05 116.66 108.64 1kqg n ARG 42 Ca 0.01 -2.69 -0.29 0.00 -0.00 0.00 0.00 57.85 54.88 1kqg n ARG 42 Cb 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 32.46 31.48 1kqg n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1kqg s ALA 43 N -2.14 3.30 -0.07 5.13 0.00 -0.90 -4.78 121.76 122.30 1kqg s ALA 43 Ca 0.33 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.64 1kqg s ALA 43 Cb 0.33 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1kqg s ALA 43 CO -0.07 -0.48 0.93 0.21 0.00 0.00 0.00 175.76 176.35 1kqg s LYS 44 N -4.90 4.45 -0.23 0.00 2.20 -0.73 -4.84 119.74 115.69 1kqg s LYS 44 Ca 0.50 1.27 -0.08 0.00 -0.36 0.00 0.00 55.97 57.31 1kqg s LYS 44 Cb -0.11 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1kqg s LYS 44 CO 0.48 -0.18 0.09 -2.00 -0.36 0.00 0.00 175.35 173.38 1kqg s GLU 45 N 1.53 3.83 -0.04 4.03 2.12 -1.26 -1.20 118.70 127.72 1kqg s GLU 45 Ca 0.47 -0.40 0.05 0.00 0.36 0.00 0.00 54.97 55.45 1kqg s GLU 45 Cb -0.19 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1kqg s GLU 45 CO 0.20 -0.01 -0.18 0.42 -0.54 0.00 0.00 175.26 175.15 1kqg s ILE 46 N 1.16 1.50 0.05 -3.70 1.09 -0.10 -4.94 121.20 116.26 1kqg s ILE 46 Ca 0.05 -0.77 -0.24 0.00 -1.10 0.00 0.00 60.65 58.58 1kqg s ILE 46 Cb -0.14 -1.28 -0.06 0.00 -1.06 0.00 0.00 42.46 39.92 1kqg s ILE 46 CO 0.04 0.43 0.74 -0.13 -0.10 0.00 0.00 174.94 175.92 1kqg s ARG 47 N -0.12 4.48 0.22 2.79 0.52 -1.26 -0.83 118.95 124.74 1kqg s ARG 47 Ca -0.01 1.03 -0.05 0.00 -0.52 0.00 0.00 55.73 56.19 1kqg s ARG 47 Cb -0.10 -3.35 0.02 0.00 0.52 0.00 0.00 34.95 32.04 1kqg s ARG 47 CO 0.01 0.33 0.38 -1.71 0.02 0.00 0.00 175.30 174.33 1kqg n ASN 48 N 2.66 -1.08 -4.13 0.23 2.85 -0.68 -2.28 115.26 112.84 1kqg n ASN 48 Ca -0.03 -2.03 -0.25 0.00 -0.11 0.00 0.00 54.58 52.16 1kqg n ASN 48 Cb 0.50 1.88 -0.16 0.00 1.24 0.00 0.00 39.78 43.25 1kqg n ASN 48 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1kqg s THR 49 N -2.57 1.31 0.31 -0.44 2.01 -1.26 -0.47 115.64 114.53 1kqg s THR 49 Ca 0.13 -0.68 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 1kqg s THR 49 Cb -0.02 -1.12 -0.14 0.00 0.01 0.00 0.00 72.50 71.23 1kqg s THR 49 CO 0.10 0.38 0.80 0.00 -0.69 0.00 0.00 174.62 175.20 1kqg n THR 51 N -0.11 0.00 0.00 0.00 5.66 -1.26 -4.82 114.28 113.75 1kqg n THR 51 Ca 0.12 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1kqg n THR 51 Cb 0.33 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 1kqg n THR 51 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1kqg n TYR 52 N -0.69 0.00 -2.34 1.09 4.01 -1.26 -4.38 117.16 113.59 1kqg n TYR 52 Ca 0.11 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.59 1kqg n TYR 52 Cb 0.36 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.54 1kqg n TYR 52 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1kqg n SER 54 N -3.21 1.18 -0.21 0.00 3.41 0.54 -3.77 113.62 111.56 1kqg n SER 54 Ca 0.15 -1.94 -0.07 0.00 -0.26 0.00 0.00 58.87 56.75 1kqg n SER 54 Cb 0.60 -0.14 0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1kqg n SER 54 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1kqg h VAL 55 N 1.33 1.19 -0.53 -3.33 2.07 -1.87 -1.01 116.25 114.09 1kqg h VAL 55 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1kqg h VAL 55 Cb 0.30 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1kqg h VAL 55 CO 0.00 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1kqg n GLY 56 N -1.06 0.81 3.74 2.17 0.00 -1.25 -4.73 105.19 104.85 1kqg n GLY 56 Ca 0.04 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1kqg n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg s GLY 58 N 0.09 2.86 0.21 0.00 0.00 -1.26 -1.50 107.32 107.72 1kqg s GLY 58 Ca 0.59 0.71 0.11 0.00 0.00 0.00 0.00 44.72 46.13 1kqg s GLY 58 CO 0.57 1.20 -0.22 1.08 0.00 0.00 0.00 173.10 175.72 1kqg s LEU 59 N -2.10 2.48 -0.22 0.66 1.43 0.38 -1.72 118.68 119.58 1kqg s LEU 59 Ca 0.51 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1kqg s LEU 59 Cb -0.24 -1.10 0.06 0.00 0.03 0.00 0.00 46.19 44.94 1kqg s LEU 59 CO 0.31 0.08 -0.00 -0.76 0.23 0.00 0.00 176.35 176.20 1kqg s LEU 60 N -2.90 1.95 -0.12 1.79 1.43 -0.74 -1.68 118.68 118.42 1kqg s LEU 60 Ca 0.23 -1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 1kqg s LEU 60 Cb -0.07 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1kqg s LEU 60 CO 0.11 -0.28 0.05 -0.04 0.23 0.00 0.00 176.35 176.42 1kqg s MET 61 N 1.61 3.36 -0.20 1.70 -1.94 -0.01 -1.81 119.30 122.01 1kqg s MET 61 Ca -0.03 -0.32 -0.02 0.00 -1.71 0.00 0.00 55.69 53.61 1kqg s MET 61 Cb -0.18 -3.00 -0.00 0.00 2.01 0.00 0.00 34.83 33.65 1kqg s MET 61 CO -0.08 0.61 -0.10 0.71 -0.01 0.00 0.00 175.02 176.15 1kqg s TYR 62 N -0.59 2.89 -0.01 -0.03 2.02 -0.21 -0.93 117.35 120.50 1kqg s TYR 62 Ca 0.11 -1.09 0.05 0.00 -0.37 0.00 0.00 57.07 55.77 1kqg s TYR 62 Cb -0.12 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1kqg s TYR 62 CO 0.02 -0.57 -0.15 -1.12 -1.57 0.00 0.00 175.55 172.16 1kqg s SER 63 N 1.28 4.02 -0.28 2.29 0.01 -0.34 -0.99 113.70 119.69 1kqg s SER 63 Ca 0.03 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 1kqg s SER 63 Cb -0.14 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.30 1kqg s SER 63 CO -0.05 0.31 1.20 -0.22 0.41 0.00 0.00 173.24 174.90 1kqg s LEU 64 N -1.05 3.97 0.00 2.44 2.96 -0.06 -1.78 118.68 125.15 1kqg s LEU 64 Ca 0.13 1.26 0.00 0.00 -0.22 0.00 0.00 54.13 55.30 1kqg s LEU 64 Cb -0.11 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1kqg s LEU 64 CO 0.03 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 174.74 1kqg n GLY 65 N 3.97 3.97 1.27 7.98 0.00 -1.26 -2.83 105.19 118.29 1kqg n GLY 65 Ca 0.14 -1.34 0.05 0.00 0.00 0.00 0.00 46.02 44.86 1kqg n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kqg n ASP 66 N 0.00 3.67 0.00 1.61 5.68 -1.26 -3.69 116.55 122.56 1kqg n ASP 66 Ca 0.00 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.83 1kqg n ASP 66 Cb 0.00 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 1kqg n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kqg n GLY 67 N 0.58 1.49 3.62 6.12 0.00 -1.26 -4.97 105.19 110.76 1kqg n GLY 67 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1kqg n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg n ALA 68 N -1.20 -0.04 0.23 4.61 0.00 -1.26 -4.86 120.51 118.00 1kqg n ALA 68 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1kqg n ALA 68 Cb 0.00 -2.12 0.55 0.00 0.00 0.00 0.00 19.45 17.89 1kqg n ALA 68 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1kqg h LYS 69 N 0.06 0.00 0.00 0.00 3.64 -2.05 -2.53 116.57 115.69 1kqg h LYS 69 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1kqg h LYS 69 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1kqg h LYS 69 CO 0.49 0.21 -0.18 0.09 -2.27 0.00 0.00 179.45 177.78 1kqg n ASN 70 N -3.94 0.45 -4.56 4.20 3.02 -1.26 -4.69 115.26 108.47 1kqg n ASN 70 Ca -0.02 0.35 -0.36 0.00 -0.03 0.00 0.00 54.58 54.51 1kqg n ASN 70 Cb 0.29 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 38.99 1kqg n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kqg s ALA 71 N -3.06 3.38 -0.55 5.41 0.00 -0.95 -5.05 121.76 120.93 1kqg s ALA 71 Ca 0.11 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.86 1kqg s ALA 71 Cb 0.16 -2.16 0.04 0.00 0.00 0.00 0.00 23.12 21.16 1kqg s ALA 71 CO 0.61 -0.26 0.93 0.50 0.00 0.00 0.00 175.76 177.53 1kqg s ARG 72 N 1.20 3.32 0.42 0.00 3.52 -1.26 -4.74 118.95 121.40 1kqg s ARG 72 Ca 0.06 -0.30 -0.23 0.00 -0.13 0.00 0.00 55.73 55.12 1kqg s ARG 72 Cb -0.14 -4.06 -0.11 0.00 -1.56 0.00 0.00 34.95 29.08 1kqg s ARG 72 CO 0.04 -1.48 0.78 0.39 -0.81 0.00 0.00 175.30 174.23 1kqg n GLU 73 N 7.40 0.93 -3.65 5.12 4.71 -1.26 -4.91 120.64 128.99 1kqg n GLU 73 Ca 0.01 0.34 -0.17 0.00 -0.01 0.00 0.00 57.16 57.33 1kqg n GLU 73 Cb 0.47 -1.77 -0.15 0.00 -1.01 0.00 0.00 31.44 28.98 1kqg n GLU 73 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1kqg s ALA 74 N -1.36 -0.14 0.05 0.62 0.00 -1.13 -4.51 121.76 115.29 1kqg s ALA 74 Ca 0.64 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 1kqg s ALA 74 Cb -0.59 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.60 1kqg s ALA 74 CO 0.57 -0.64 1.55 0.42 0.00 0.00 0.00 175.76 177.66 1kqg s ILE 75 N 2.29 3.27 0.00 0.00 1.01 -1.26 -0.89 121.20 125.62 1kqg s ILE 75 Ca 0.03 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1kqg s ILE 75 Cb -0.12 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1kqg s ILE 75 CO -0.06 0.00 0.30 0.00 0.00 0.00 0.00 174.94 175.17 1kqg n TYR 76 N 5.40 0.00 -3.55 3.97 0.18 -0.16 -4.94 117.16 118.05 1kqg n TYR 76 Ca 0.15 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.76 1kqg n TYR 76 Cb 0.42 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.31 1kqg n TYR 76 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1kqg s HIS 77 N -0.17 -0.69 -0.05 -3.48 5.04 -1.20 -5.04 115.29 109.70 1kqg s HIS 77 Ca 0.00 1.35 -0.02 0.00 -1.54 0.00 0.00 55.06 54.85 1kqg s HIS 77 Cb 0.00 0.37 0.03 0.00 0.04 0.00 0.00 32.58 33.02 1kqg s HIS 77 CO 0.00 -0.54 0.10 0.42 -2.34 0.00 0.00 174.74 172.38 1kqg s ILE 78 N -0.75 -0.05 0.23 0.89 1.01 -1.26 -1.04 121.20 120.23 1kqg s ILE 78 Ca -0.08 0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1kqg s ILE 78 Cb -0.01 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.26 1kqg s ILE 78 CO 0.07 0.07 0.19 -1.84 0.00 0.00 0.00 174.94 173.43 1kqg n GLU 79 N 4.03 0.29 -2.05 2.79 0.28 -0.75 -4.93 120.64 120.29 1kqg n GLU 79 Ca -0.25 -2.30 -0.30 0.00 -0.16 0.00 0.00 57.16 54.16 1kqg n GLU 79 Cb 0.52 1.87 0.02 0.00 1.43 0.00 0.00 31.44 35.29 1kqg n GLU 79 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1kqg s GLY 80 N -2.61 1.62 -0.41 -1.84 0.00 -1.25 -1.78 107.32 101.05 1kqg s GLY 80 Ca 0.27 -0.30 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 1kqg s GLY 80 CO 0.19 -0.02 0.44 -0.35 0.00 0.00 0.00 173.10 173.37 1kqg s ASP 81 N -4.24 6.20 0.58 1.64 -1.08 -0.70 -4.41 116.67 114.66 1kqg s ASP 81 Ca 0.55 -0.63 0.29 0.00 -0.52 0.00 0.00 52.55 52.24 1kqg s ASP 81 Cb -0.11 -2.23 1.76 0.00 -1.46 0.00 0.00 42.92 40.89 1kqg s ASP 81 CO 0.51 -0.57 2.23 1.55 0.52 0.00 0.00 175.17 179.41 1kqg h PRO 82 N 8.71 0.00 0.00 4.34 0.13 -1.88 -1.36 132.00 141.94 1kqg h PRO 82 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1kqg h PRO 82 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1kqg h PRO 82 CO 0.79 0.02 -0.17 -0.25 -0.23 0.00 0.00 178.00 178.16 1kqg n ASP 83 N -3.82 0.29 -4.72 1.44 8.00 -1.26 -4.10 116.55 112.39 1kqg n ASP 83 Ca -0.03 0.30 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 1kqg n ASP 83 Cb 0.11 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1kqg n ASP 83 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1kqg s HIS 84 N -3.03 3.09 0.27 1.24 2.46 -0.95 -4.83 115.29 113.54 1kqg s HIS 84 Ca 0.12 0.72 0.02 0.00 0.47 0.00 0.00 55.06 56.39 1kqg s HIS 84 Cb 0.17 -3.85 0.37 0.00 -0.13 0.00 0.00 32.58 29.14 1kqg s HIS 84 CO 0.60 -3.11 1.69 -1.35 -2.47 0.00 0.00 174.74 170.10 1kqg h PRO 85 N 6.88 0.48 0.05 2.88 0.11 -1.90 0.14 132.00 140.63 1kqg h PRO 85 Ca -0.42 -0.20 -0.08 0.00 0.11 0.00 0.00 66.00 65.41 1kqg h PRO 85 Cb 1.21 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1kqg h PRO 85 CO 0.90 0.73 -0.34 0.28 -0.21 0.00 0.00 178.00 179.37 1kqg h VAL 86 N 0.42 1.64 0.00 3.15 2.07 -1.95 -3.40 116.25 118.18 1kqg h VAL 86 Ca 0.06 -2.30 -0.20 0.00 0.82 0.00 0.00 66.70 65.08 1kqg h VAL 86 Cb 0.73 3.16 -0.04 0.00 -1.52 0.00 0.00 31.29 33.62 1kqg h VAL 86 CO 0.06 0.62 -1.79 -1.54 0.02 0.00 0.00 177.57 174.94 1kqg n SER 87 N -4.42 0.48 -3.98 0.57 3.41 -1.23 -4.81 113.62 103.64 1kqg n SER 87 Ca -0.11 0.21 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 1kqg n SER 87 Cb 0.60 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 1kqg n SER 87 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kqg n ARG 88 N -2.75 -4.41 0.00 4.33 5.12 0.48 -1.45 116.66 117.98 1kqg n ARG 88 Ca -0.15 0.51 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 1kqg n ARG 88 Cb 0.89 -5.17 0.00 0.00 -1.16 0.00 0.00 32.46 27.03 1kqg n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kqg n GLY 89 N -1.65 3.09 3.82 -0.13 0.00 -0.55 -4.66 105.19 105.11 1kqg n GLY 89 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1kqg n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg s ALA 90 N -2.25 2.98 -0.15 4.61 0.00 -0.53 -3.77 121.76 122.64 1kqg s ALA 90 Ca 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 1kqg s ALA 90 Cb 0.00 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 20.00 1kqg s ALA 90 CO 0.00 -0.12 0.37 -0.51 0.00 0.00 0.00 175.76 175.51 1kqg s LEU 91 N -3.51 0.02 0.00 0.00 1.43 -1.26 -4.77 118.68 110.60 1kqg s LEU 91 Ca 0.63 0.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.36 1kqg s LEU 91 Cb -0.12 1.21 0.25 0.00 0.03 0.00 0.00 46.19 47.56 1kqg s LEU 91 CO 0.20 -0.19 1.10 0.00 0.23 0.00 0.00 176.35 177.69 1kqg h PRO 93 N 0.00 0.00 0.07 0.00 0.13 -1.93 0.25 132.00 130.52 1kqg h PRO 93 Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1kqg h PRO 93 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1kqg h PRO 93 CO 0.26 0.05 -0.03 0.87 -0.23 0.00 0.00 178.00 178.92 1kqg h LYS 94 N 0.00 -0.09 -0.28 0.86 1.57 -1.81 -2.66 116.57 114.16 1kqg h LYS 94 Ca -0.00 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1kqg h LYS 94 Cb 0.27 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1kqg h LYS 94 CO 0.01 0.48 -0.31 0.78 -0.57 0.00 0.00 179.45 179.84 1kqg h GLY 95 N -0.86 0.63 2.00 3.86 0.00 -1.81 -2.27 103.07 104.62 1kqg h GLY 95 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1kqg h GLY 95 CO 0.02 0.52 -0.04 0.00 0.00 0.00 0.00 176.54 177.03 1kqg h ALA 96 N 1.16 1.02 -0.70 3.60 0.00 -0.60 -2.56 119.26 121.18 1kqg h ALA 96 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kqg h ALA 96 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1kqg h ALA 96 CO 0.06 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1kqg n GLY 97 N -0.06 2.51 0.39 0.00 0.00 -0.86 -4.69 105.19 102.48 1kqg n GLY 97 Ca 0.00 -0.81 0.18 0.00 0.00 0.00 0.00 46.02 45.39 1kqg n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kqg h LEU 98 N 4.21 0.55 -0.84 0.99 3.38 -1.37 -1.71 115.31 120.52 1kqg h LEU 98 Ca 0.00 0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.19 1kqg h LEU 98 Cb 1.15 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 1kqg h LEU 98 CO 0.08 0.18 0.42 0.25 0.09 0.00 0.00 178.44 179.47 1kqg h LEU 99 N 0.53 0.50 -0.90 1.67 5.85 -1.85 0.71 115.31 121.80 1kqg h LEU 99 Ca 0.55 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.36 1kqg h LEU 99 Cb 1.18 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1kqg h LEU 99 CO -0.29 0.20 0.00 0.44 -0.34 0.00 0.00 178.44 178.45 1kqg h ASP 100 N 0.59 0.00 0.00 1.25 5.19 -1.67 -2.02 116.42 119.77 1kqg h ASP 100 Ca 0.46 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.70 1kqg h ASP 100 Cb 0.67 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.16 1kqg h ASP 100 CO -0.38 0.00 -0.99 0.22 -3.12 0.00 0.00 179.24 174.98 1kqg h TYR 101 N 0.00 0.00 -0.75 4.55 3.20 -1.01 -2.56 116.97 120.40 1kqg h TYR 101 Ca 0.00 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.00 1kqg h TYR 101 Cb 0.41 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.59 1kqg h TYR 101 CO 0.00 1.33 0.32 0.28 -1.64 0.00 0.00 178.16 178.44 1kqg h VAL 102 N -1.00 0.70 -0.44 1.81 2.07 -1.09 -1.75 116.25 116.54 1kqg h VAL 102 Ca -0.27 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1kqg h VAL 102 Cb 1.20 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1kqg h VAL 102 CO -0.16 0.09 0.00 0.59 0.02 0.00 0.00 177.57 178.11 1kqg n ASN 103 N -4.97 4.61 -4.58 0.57 3.02 -0.77 -4.98 115.26 108.16 1kqg n ASN 103 Ca 0.14 -2.81 -0.40 0.00 -0.03 0.00 0.00 54.58 51.48 1kqg n ASN 103 Cb 0.39 -0.57 0.03 0.00 -0.61 0.00 0.00 39.78 39.01 1kqg n ASN 103 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1kqg n SER 104 N 0.25 0.65 0.29 6.41 2.88 -0.66 -4.86 113.62 118.58 1kqg n SER 104 Ca 0.24 0.92 0.17 0.00 -1.33 0.00 0.00 58.87 58.87 1kqg n SER 104 Cb 0.96 -1.32 0.88 0.00 -0.75 0.00 0.00 64.21 63.98 1kqg n SER 104 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1kqg h GLU 105 N 1.02 0.00 -0.68 -1.46 4.39 -1.85 -2.21 114.58 113.80 1kqg h GLU 105 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1kqg h GLU 105 Cb 1.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1kqg h GLU 105 CO 0.53 0.05 0.00 0.09 -1.16 0.00 0.00 179.01 178.52 1kqg n ASN 106 N -3.33 4.16 -4.77 1.42 3.02 -1.26 -4.94 115.26 109.56 1kqg n ASN 106 Ca -0.02 -2.57 -0.39 0.00 -0.03 0.00 0.00 54.58 51.57 1kqg n ASN 106 Cb 0.20 -0.60 -0.00 0.00 -0.61 0.00 0.00 39.78 38.77 1kqg n ASN 106 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1kqg s ARG 107 N -2.12 3.89 0.17 3.52 1.81 -0.83 -2.47 118.95 122.92 1kqg s ARG 107 Ca 0.38 2.14 -0.28 0.00 -1.72 0.00 0.00 55.73 56.26 1kqg s ARG 107 Cb 0.28 -2.69 -0.08 0.00 -0.45 0.00 0.00 34.95 32.01 1kqg s ARG 107 CO 0.13 -0.56 0.86 -0.51 -0.68 0.00 0.00 175.30 174.54 1kqg s LEU 108 N -2.56 4.59 -0.10 2.53 1.43 -0.25 -4.87 118.68 119.45 1kqg s LEU 108 Ca 0.58 1.76 -0.03 0.00 -1.03 0.00 0.00 54.13 55.41 1kqg s LEU 108 Cb -0.38 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 1kqg s LEU 108 CO 0.48 0.14 -0.11 0.54 0.23 0.00 0.00 176.35 177.63 1kqg n ARG 109 N 1.83 0.22 -4.22 1.70 1.74 -1.26 -4.69 116.66 111.97 1kqg n ARG 109 Ca -0.03 0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.94 1kqg n ARG 109 Cb 0.48 -0.99 -0.12 0.00 -1.02 0.00 0.00 32.46 30.81 1kqg n ARG 109 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1kqg s TYR 110 N -2.18 1.40 0.21 -1.55 2.02 -1.26 -0.42 117.35 115.57 1kqg s TYR 110 Ca -0.13 -0.50 -0.32 0.00 -0.37 0.00 0.00 57.07 55.75 1kqg s TYR 110 Cb 0.04 -0.76 -0.12 0.00 -0.40 0.00 0.00 41.96 40.73 1kqg s TYR 110 CO 0.19 0.13 1.73 -2.14 -1.57 0.00 0.00 175.55 173.89 1kqg s PRO 111 N -2.22 4.12 0.09 -1.71 0.02 -1.26 -4.56 135.00 129.48 1kqg s PRO 111 Ca 0.05 2.62 0.07 0.00 0.02 0.00 0.00 61.00 63.75 1kqg s PRO 111 Cb -0.08 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 1kqg s PRO 111 CO 0.03 -0.76 -0.18 -1.21 -0.33 0.00 0.00 177.00 174.55 1kqg s GLU 112 N 1.21 0.99 -0.02 5.54 2.02 -0.63 -1.34 118.70 126.46 1kqg s GLU 112 Ca 0.75 -1.06 0.03 0.00 0.02 0.00 0.00 54.97 54.71 1kqg s GLU 112 Cb -0.50 -1.14 0.00 0.00 0.10 0.00 0.00 34.13 32.59 1kqg s GLU 112 CO 0.32 0.26 -0.10 -0.47 0.02 0.00 0.00 175.26 175.29 1kqg s TYR 113 N -1.20 1.06 -0.24 1.61 5.04 0.48 -0.58 117.35 123.51 1kqg s TYR 113 Ca 0.03 -0.26 -0.02 0.00 -2.44 0.00 0.00 57.07 54.38 1kqg s TYR 113 Cb -0.10 -0.73 0.02 0.00 0.35 0.00 0.00 41.96 41.50 1kqg s TYR 113 CO 0.03 -0.09 -0.07 0.50 -1.34 0.00 0.00 175.55 174.58 1kqg s ARG 114 N 0.09 2.90 0.56 4.97 3.00 0.28 -0.68 118.95 130.07 1kqg s ARG 114 Ca -0.02 -0.93 -0.14 0.00 -1.00 0.00 0.00 55.73 53.64 1kqg s ARG 114 Cb -0.08 -2.95 -0.06 0.00 0.00 0.00 0.00 34.95 31.86 1kqg s ARG 114 CO 0.00 -0.36 1.01 0.00 0.00 0.00 0.00 175.30 175.95 1kqg s ALA 115 N 1.34 3.04 0.18 6.12 0.00 -1.26 -1.72 121.76 129.46 1kqg s ALA 115 Ca 0.01 0.10 -0.33 0.00 0.00 0.00 0.00 51.96 51.74 1kqg s ALA 115 Cb -0.16 -3.12 -0.14 0.00 0.00 0.00 0.00 23.12 19.71 1kqg s ALA 115 CO -0.05 -0.47 1.53 -2.30 0.00 0.00 0.00 175.76 174.46 1kqg n PRO 116 N -2.08 2.10 -0.98 0.00 -0.02 -1.26 -1.02 135.00 131.74 1kqg n PRO 116 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1kqg n PRO 116 Cb 0.54 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1kqg n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kqg n GLY 117 N 3.04 0.16 3.88 -1.23 0.00 -0.15 -4.96 105.19 105.92 1kqg n GLY 117 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1kqg n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kqg s SER 118 N -2.01 6.31 -0.15 1.61 0.15 -0.19 -3.78 113.70 115.65 1kqg s SER 118 Ca 0.00 1.26 0.18 0.00 0.70 0.00 0.00 55.95 58.09 1kqg s SER 118 Cb 0.00 -2.39 0.37 0.00 -1.71 0.00 0.00 66.02 62.29 1kqg s SER 118 CO 0.00 -0.70 1.24 -0.90 1.20 0.00 0.00 173.24 174.08 1kqg n ASP 119 N -2.32 2.87 -3.72 5.45 5.75 -1.26 -4.72 116.55 118.59 1kqg n ASP 119 Ca 0.04 -3.06 -0.10 0.00 -0.01 0.00 0.00 54.79 51.66 1kqg n ASP 119 Cb 0.54 -0.47 -0.06 0.00 -1.03 0.00 0.00 41.12 40.11 1kqg n ASP 119 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1kqg s LYS 120 N -2.86 0.96 0.29 0.11 -2.85 -1.26 -5.06 119.74 109.07 1kqg s LYS 120 Ca 0.35 -0.74 -0.13 0.00 -1.00 0.00 0.00 55.97 54.45 1kqg s LYS 120 Cb 0.30 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 36.40 1kqg s LYS 120 CO 0.05 -0.34 0.67 -1.58 0.10 0.00 0.00 175.35 174.25 1kqg s TRP 121 N -3.58 3.39 -0.10 1.78 0.52 -1.26 -4.51 118.94 115.18 1kqg s TRP 121 Ca 0.02 1.09 0.03 0.00 0.02 0.00 0.00 56.10 57.26 1kqg s TRP 121 Cb 0.02 -2.44 0.01 0.00 -1.15 0.00 0.00 33.47 29.92 1kqg s TRP 121 CO -0.10 0.15 -0.17 -1.14 0.02 0.00 0.00 176.95 175.70 1kqg s GLN 122 N -2.96 2.35 0.08 4.98 2.00 0.14 -4.91 119.66 121.34 1kqg s GLN 122 Ca 0.52 -0.63 -0.31 0.00 -2.00 0.00 0.00 55.36 52.94 1kqg s GLN 122 Cb -0.11 -1.90 -0.07 0.00 0.80 0.00 0.00 33.01 31.74 1kqg s GLN 122 CO 0.19 0.04 1.37 0.50 -0.50 0.00 0.00 175.29 176.89 1kqg s ARG 123 N 0.69 4.32 0.33 1.67 3.52 -1.26 -0.39 118.95 127.84 1kqg s ARG 123 Ca -0.13 2.01 0.04 0.00 -0.13 0.00 0.00 55.73 57.53 1kqg s ARG 123 Cb -0.16 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.82 1kqg s ARG 123 CO 0.03 -0.45 0.05 0.96 -0.81 0.00 0.00 175.30 175.07 1kqg s ILE 124 N 1.44 1.31 0.61 4.11 -4.36 -0.45 -4.93 121.20 118.95 1kqg s ILE 124 Ca 0.64 -2.01 -0.07 0.00 -0.26 0.00 0.00 60.65 58.95 1kqg s ILE 124 Cb -0.35 -2.80 0.01 0.00 1.25 0.00 0.00 42.46 40.58 1kqg s ILE 124 CO 0.29 -0.02 0.94 -0.94 0.24 0.00 0.00 174.94 175.46 1kqg s SER 125 N -3.51 5.58 0.17 4.36 1.04 -1.26 -4.14 113.70 115.94 1kqg s SER 125 Ca 0.36 0.82 -0.14 0.00 0.48 0.00 0.00 55.95 57.47 1kqg s SER 125 Cb 0.09 -1.78 0.07 0.00 0.10 0.00 0.00 66.02 64.50 1kqg s SER 125 CO 0.16 -1.12 1.81 -0.50 0.98 0.00 0.00 173.24 174.57 1kqg h TRP 126 N -0.28 0.72 -0.26 5.02 4.06 -1.98 -1.36 115.95 121.86 1kqg h TRP 126 Ca -0.45 -0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.44 1kqg h TRP 126 Cb 1.25 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 1kqg h TRP 126 CO 0.48 0.49 -0.06 0.93 -3.56 0.00 0.00 178.44 176.72 1kqg h GLU 127 N 0.73 0.41 -0.23 0.49 4.39 -1.99 0.07 114.58 118.45 1kqg h GLU 127 Ca 0.20 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1kqg h GLU 127 Cb -0.02 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1kqg h GLU 127 CO -0.04 0.49 -0.16 0.93 -1.16 0.00 0.00 179.01 179.07 1kqg h GLU 128 N 0.39 0.52 -0.12 2.33 5.08 -1.80 -1.63 114.58 119.36 1kqg h GLU 128 Ca 0.08 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1kqg h GLU 128 Cb 0.36 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1kqg h GLU 128 CO 0.02 0.81 -0.06 0.00 -1.00 0.00 0.00 179.01 178.78 1kqg h ALA 129 N 0.69 0.04 -0.25 3.43 0.00 -0.83 -0.12 119.26 122.22 1kqg h ALA 129 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1kqg h ALA 129 Cb 0.69 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1kqg h ALA 129 CO 0.04 -0.52 0.13 0.74 0.00 0.00 0.00 179.25 179.64 1kqg h PHE 130 N -0.06 0.24 -0.48 0.00 0.04 -0.94 -0.19 116.94 115.55 1kqg h PHE 130 Ca 0.07 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 1kqg h PHE 130 Cb 0.16 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1kqg h PHE 130 CO -0.19 0.13 -0.21 0.66 -0.60 0.00 0.00 178.31 178.10 1kqg h SER 131 N 0.27 1.02 -0.55 2.17 4.64 -1.16 -1.06 113.55 118.87 1kqg h SER 131 Ca 0.10 -0.39 -0.10 0.00 -0.47 0.00 0.00 61.79 60.93 1kqg h SER 131 Cb 0.02 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1kqg h SER 131 CO -0.07 1.19 -0.04 0.03 -0.87 0.00 0.00 176.83 177.07 1kqg h ARG 132 N 0.85 1.01 -0.41 4.77 3.08 -0.74 -1.35 114.38 121.57 1kqg h ARG 132 Ca 0.11 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 1kqg h ARG 132 Cb 0.79 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1kqg h ARG 132 CO 0.07 1.02 -0.12 0.82 -1.07 0.00 0.00 179.97 180.69 1kqg h ILE 133 N 0.89 1.28 -0.54 2.04 2.04 -0.96 -2.30 117.51 119.96 1kqg h ILE 133 Ca 0.15 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1kqg h ILE 133 Cb 0.60 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1kqg h ILE 133 CO 0.04 0.41 0.21 0.00 0.00 0.00 0.00 178.15 178.81 1kqg h ALA 134 N 0.84 0.70 -0.42 1.87 0.00 -1.05 -0.35 119.26 120.85 1kqg h ALA 134 Ca 0.10 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1kqg h ALA 134 Cb 0.66 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1kqg h ALA 134 CO 0.05 0.32 0.23 -0.22 0.00 0.00 0.00 179.25 179.63 1kqg h LYS 135 N 0.73 0.46 -0.61 0.00 3.64 -1.21 -0.05 116.57 119.53 1kqg h LYS 135 Ca 0.18 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1kqg h LYS 135 Cb 0.21 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1kqg h LYS 135 CO -0.01 0.30 0.33 -0.07 -2.27 0.00 0.00 179.45 177.73 1kqg h LEU 136 N 0.47 0.77 -0.31 5.20 3.38 -0.89 -1.65 115.31 122.29 1kqg h LEU 136 Ca 0.17 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1kqg h LEU 136 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1kqg h LEU 136 CO -0.10 0.64 0.04 0.24 0.09 0.00 0.00 178.44 179.36 1kqg h MET 137 N 0.83 0.51 -0.28 1.13 2.86 -0.85 -2.05 114.93 117.09 1kqg h MET 137 Ca 0.22 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1kqg h MET 137 Cb 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1kqg h MET 137 CO -0.03 0.62 0.10 -0.22 1.06 0.00 0.00 176.91 178.43 1kqg h LYS 138 N 0.33 0.43 -0.31 1.72 3.64 -0.80 0.23 116.57 121.81 1kqg h LYS 138 Ca 0.09 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1kqg h LYS 138 Cb 0.36 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1kqg h LYS 138 CO 0.01 0.47 0.09 0.00 -2.27 0.00 0.00 179.45 177.75 1kqg h ALA 139 N 0.94 0.34 -0.35 5.00 0.00 -1.29 0.28 119.26 124.18 1kqg h ALA 139 Ca 0.09 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1kqg h ALA 139 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1kqg h ALA 139 CO -0.01 -0.31 -0.10 0.22 0.00 0.00 0.00 179.25 179.05 1kqg h ASP 140 N 0.22 0.57 0.11 0.00 3.58 -1.08 -1.89 116.42 117.93 1kqg h ASP 140 Ca 0.14 -0.15 -0.21 0.00 0.42 0.00 0.00 57.03 57.23 1kqg h ASP 140 Cb 0.13 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1kqg h ASP 140 CO -0.16 0.71 -0.78 -0.09 -2.88 0.00 0.00 179.24 176.04 1kqg h ARG 141 N 0.54 0.55 -0.05 0.28 2.43 -0.04 -0.79 114.38 117.31 1kqg h ARG 141 Ca 0.10 -0.47 -0.14 0.00 -0.81 0.00 0.00 59.98 58.66 1kqg h ARG 141 Cb 0.50 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1kqg h ARG 141 CO 0.03 1.10 -0.60 -0.44 -1.51 0.00 0.00 179.97 178.55 1kqg h ASP 142 N 0.37 0.18 -0.07 -3.80 3.32 -0.29 0.69 116.42 116.83 1kqg h ASP 142 Ca -0.05 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1kqg h ASP 142 Cb 1.38 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 1kqg h ASP 142 CO 0.14 0.74 -0.10 0.00 -1.72 0.00 0.00 179.24 178.31 1kqg h ALA 143 N 1.26 0.10 -0.05 3.45 0.00 -1.19 -3.40 119.26 119.43 1kqg h ALA 143 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1kqg h ALA 143 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1kqg h ALA 143 CO 0.09 -0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.38 1kqg n ASN 144 N -4.67 2.16 -4.72 0.00 3.02 -0.32 -5.02 115.26 105.71 1kqg n ASN 144 Ca -0.08 -1.58 -0.43 0.00 -0.03 0.00 0.00 54.58 52.47 1kqg n ASN 144 Cb 0.34 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 1kqg n ASN 144 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1kqg n PHE 145 N 0.72 2.58 -3.55 3.10 7.35 0.23 -4.71 117.46 123.18 1kqg n PHE 145 Ca 0.08 0.35 -0.41 0.00 -0.76 0.00 0.00 57.45 56.71 1kqg n PHE 145 Cb 0.33 -2.53 -0.09 0.00 0.35 0.00 0.00 39.48 37.54 1kqg n PHE 145 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1kqg s ILE 146 N -0.20 4.36 -0.06 -2.13 1.01 0.24 -4.98 121.20 119.45 1kqg s ILE 146 Ca 0.64 -1.51 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 1kqg s ILE 146 Cb -0.55 -3.74 -0.21 0.00 0.01 0.00 0.00 42.46 37.97 1kqg s ILE 146 CO 0.51 -0.63 1.08 -0.08 0.00 0.00 0.00 174.94 175.82 1kqg h GLU 147 N 8.48 -0.04 -6.45 2.79 4.81 -1.93 -0.07 114.58 122.17 1kqg h GLU 147 Ca -0.23 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.37 1kqg h GLU 147 Cb 1.08 0.01 -0.24 0.00 0.63 0.00 0.00 28.75 30.23 1kqg h GLU 147 CO 0.82 0.57 -0.86 0.15 -0.73 0.00 0.00 179.01 178.96 1kqg s LYS 148 N -3.61 1.45 0.81 1.92 1.02 -1.26 0.07 119.74 120.13 1kqg s LYS 148 Ca -0.16 -1.12 -0.06 0.00 0.02 0.00 0.00 55.97 54.65 1kqg s LYS 148 Cb 0.00 -1.69 0.16 0.00 -0.52 0.00 0.00 37.83 35.78 1kqg s LYS 148 CO 0.64 0.42 1.11 0.54 -0.92 0.00 0.00 175.35 177.15 1kqg s ASN 149 N -1.53 3.89 0.41 2.83 2.20 -0.28 -4.88 114.94 117.58 1kqg s ASN 149 Ca 0.10 -0.18 0.29 0.00 -0.94 0.00 0.00 52.86 52.12 1kqg s ASN 149 Cb -0.10 -0.06 1.34 0.00 -2.00 0.00 0.00 41.25 40.44 1kqg s ASN 149 CO 0.03 -2.19 1.87 -0.33 -2.94 0.00 0.00 177.10 173.54 1kqg h GLU 150 N -0.92 0.00 -0.56 3.55 5.08 -2.01 -1.64 114.58 118.07 1kqg h GLU 150 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1kqg h GLU 150 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1kqg h GLU 150 CO 0.39 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.44 1kqg n GLN 151 N -2.59 2.37 -0.79 2.33 3.00 -1.26 -4.93 117.38 115.51 1kqg n GLN 151 Ca 0.00 -2.02 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 1kqg n GLN 151 Cb 0.18 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.96 1kqg n GLN 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1kqg n GLY 152 N 1.33 0.83 3.79 1.08 0.00 -0.62 -5.05 105.19 106.56 1kqg n GLY 152 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1kqg n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kqg s VAL 153 N -3.23 4.36 -0.22 1.61 1.01 -1.26 -4.81 120.40 117.86 1kqg s VAL 153 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 1kqg s VAL 153 Cb 0.00 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1kqg s VAL 153 CO 0.00 0.32 1.25 -0.89 0.00 0.00 0.00 175.10 175.78 1kqg s THR 154 N -1.39 4.28 -0.01 3.92 2.01 -1.26 -1.12 115.64 122.06 1kqg s THR 154 Ca 0.42 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.95 1kqg s THR 154 Cb -0.20 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 1kqg s THR 154 CO 0.24 -0.26 0.03 1.33 -0.69 0.00 0.00 174.62 175.27 1kqg n VAL 155 N 5.66 0.00 -4.02 3.82 0.24 0.11 -4.85 118.33 119.29 1kqg n VAL 155 Ca 0.14 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.34 61.87 1kqg n VAL 155 Cb 0.46 0.64 0.02 0.00 -1.47 0.00 0.00 33.84 33.48 1kqg n VAL 155 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1kqg n ASN 156 N -1.38 -3.76 -4.29 -1.34 3.02 -0.97 -1.20 115.26 105.34 1kqg n ASN 156 Ca -0.00 -1.16 -0.27 0.00 -0.03 0.00 0.00 54.58 53.12 1kqg n ASN 156 Cb 0.02 -1.43 -0.14 0.00 -0.61 0.00 0.00 39.78 37.62 1kqg n ASN 156 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kqg s ARG 157 N -7.02 1.46 -0.18 3.52 1.70 -0.07 -4.10 118.95 114.26 1kqg s ARG 157 Ca 0.40 -1.05 0.01 0.00 -0.47 0.00 0.00 55.73 54.62 1kqg s ARG 157 Cb -0.23 -1.65 0.03 0.00 -0.57 0.00 0.00 34.95 32.53 1kqg s ARG 157 CO 0.88 0.42 -0.14 -0.46 -1.08 0.00 0.00 175.30 174.91 1kqg s TRP 158 N -0.87 2.51 -0.44 5.89 -0.00 -0.22 -0.59 118.94 125.22 1kqg s TRP 158 Ca 0.09 -1.56 0.08 0.00 -0.00 0.00 0.00 56.10 54.71 1kqg s TRP 158 Cb -0.09 -1.73 -0.07 0.00 -0.00 0.00 0.00 33.47 31.58 1kqg s TRP 158 CO 0.03 -0.75 0.38 1.28 -0.00 0.00 0.00 176.95 177.88 1kqg n LEU 159 N 4.67 0.50 -0.42 5.86 4.77 -1.26 -3.66 117.00 127.47 1kqg n LEU 159 Ca -0.17 -0.55 0.14 0.00 -0.03 0.00 0.00 56.01 55.40 1kqg n LEU 159 Cb 0.48 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 42.07 1kqg n LEU 159 CO 0.22 0.12 0.83 -1.54 -1.33 0.00 0.00 177.39 175.69 1kqg n SER 160 N -1.02 1.35 -3.95 -1.43 3.41 -1.26 -4.70 113.62 106.01 1kqg n SER 160 Ca 0.02 -1.34 -0.20 0.00 -0.26 0.00 0.00 58.87 57.09 1kqg n SER 160 Cb 0.13 0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 63.95 1kqg n SER 160 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1kqg s THR 161 N -2.12 0.66 0.36 6.66 2.01 -1.26 -0.18 115.64 121.77 1kqg s THR 161 Ca 0.35 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1kqg s THR 161 Cb 0.21 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1kqg s THR 161 CO 0.38 0.23 0.12 -0.83 -0.69 0.00 0.00 174.62 173.83 1kqg s GLY 162 N 0.50 2.33 -0.04 4.40 0.00 -0.95 -4.71 107.32 108.85 1kqg s GLY 162 Ca -0.07 -1.56 -0.03 0.00 0.00 0.00 0.00 44.72 43.05 1kqg s GLY 162 CO 0.01 -1.75 0.11 1.06 0.00 0.00 0.00 173.10 172.52 1kqg s MET 163 N -3.78 0.12 -0.15 2.90 -1.94 0.43 -1.15 119.30 115.72 1kqg s MET 163 Ca 0.30 0.16 -0.03 0.00 -1.71 0.00 0.00 55.69 54.41 1kqg s MET 163 Cb 0.05 0.04 -0.03 0.00 2.01 0.00 0.00 34.83 36.89 1kqg s MET 163 CO 0.16 -0.03 -0.04 -0.51 -0.01 0.00 0.00 175.02 174.59 1kqg s LEU 164 N 0.15 3.22 0.10 -0.03 1.43 0.42 -2.02 118.68 121.95 1kqg s LEU 164 Ca -0.01 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1kqg s LEU 164 Cb -0.02 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1kqg s LEU 164 CO -0.00 0.17 0.05 0.00 0.23 0.00 0.00 176.35 176.80 1kqg s ALA 166 N -1.41 2.84 -1.40 0.00 0.00 -0.20 -4.30 121.76 117.31 1kqg s ALA 166 Ca 0.28 -1.36 0.14 0.00 0.00 0.00 0.00 51.96 51.02 1kqg s ALA 166 Cb -0.12 -4.16 0.71 0.00 0.00 0.00 0.00 23.12 19.56 1kqg s ALA 166 CO 0.21 -3.11 1.39 0.43 0.00 0.00 0.00 175.76 174.68 1kqg n SER 167 N 8.97 0.00 -0.98 0.00 7.64 -1.26 -1.66 113.62 126.33 1kqg n SER 167 Ca 0.03 0.12 0.12 0.00 1.01 0.00 0.00 58.87 60.14 1kqg n SER 167 Cb 0.48 -0.30 0.24 0.00 -1.01 0.00 0.00 64.21 63.62 1kqg n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kqg n GLY 168 N -0.07 1.23 3.87 0.23 0.00 -1.26 -1.06 105.19 108.12 1kqg n GLY 168 Ca 0.06 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 1kqg n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg s ALA 169 N -1.68 3.99 0.90 4.61 0.00 -0.66 -4.85 121.76 124.07 1kqg s ALA 169 Ca 0.35 -1.80 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 1kqg s ALA 169 Cb 0.21 -1.09 0.13 0.00 0.00 0.00 0.00 23.12 22.38 1kqg s ALA 169 CO 0.30 -0.14 1.09 -1.54 0.00 0.00 0.00 175.76 175.48 1kqg s SER 170 N -4.08 3.47 0.41 0.00 1.04 -1.26 -4.77 113.70 108.51 1kqg s SER 170 Ca 0.46 1.40 0.10 0.00 0.48 0.00 0.00 55.95 58.39 1kqg s SER 170 Cb -0.04 -2.08 0.86 0.00 0.10 0.00 0.00 66.02 64.85 1kqg s SER 170 CO 0.27 -2.63 1.96 0.78 0.98 0.00 0.00 173.24 174.61 1kqg h ASN 171 N -1.54 0.20 0.11 7.02 2.35 -1.59 -0.68 115.58 121.44 1kqg h ASN 171 Ca -0.50 -0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.01 1kqg h ASN 171 Cb 1.29 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1kqg h ASN 171 CO 0.56 0.32 -0.78 -0.33 -1.65 0.00 0.00 177.43 175.55 1kqg h GLU 172 N 0.21 0.56 -0.44 0.81 3.07 -1.92 -1.80 114.58 115.07 1kqg h GLU 172 Ca 0.05 -0.47 -0.02 0.00 -0.50 0.00 0.00 59.36 58.41 1kqg h GLU 172 Cb 0.29 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1kqg h GLU 172 CO 0.02 1.10 0.20 1.15 -1.40 0.00 0.00 179.01 180.08 1kqg h THR 173 N 0.37 1.19 -0.42 1.13 2.02 -1.80 -2.32 112.91 113.07 1kqg h THR 173 Ca -0.05 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.66 1kqg h THR 173 Cb 1.38 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 1kqg h THR 173 CO 0.14 0.20 0.09 1.23 0.37 0.00 0.00 175.52 177.56 1kqg h GLY 174 N 0.57 0.51 1.32 2.16 0.00 -0.98 0.11 103.07 106.75 1kqg h GLY 174 Ca 0.15 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1kqg h GLY 174 CO -0.02 -0.04 -0.31 1.98 0.00 0.00 0.00 176.54 178.16 1kqg h MET 175 N 0.23 0.76 -0.59 4.80 -1.53 -1.11 -0.38 114.93 117.11 1kqg h MET 175 Ca 0.20 -0.35 -0.04 0.00 -3.44 0.00 0.00 59.70 56.08 1kqg h MET 175 Cb 0.25 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.26 1kqg h MET 175 CO -0.26 0.97 0.23 -0.07 0.14 0.00 0.00 176.91 177.91 1kqg h LEU 176 N 0.65 0.83 -0.92 3.39 3.38 -0.95 -0.38 115.31 121.30 1kqg h LEU 176 Ca 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1kqg h LEU 176 Cb 0.84 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1kqg h LEU 176 CO 0.07 0.78 0.32 0.74 0.09 0.00 0.00 178.44 180.45 1kqg h THR 177 N 0.83 1.25 -0.25 0.22 2.02 -0.35 -0.96 112.91 115.67 1kqg h THR 177 Ca 0.20 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1kqg h THR 177 Cb 0.22 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1kqg h THR 177 CO -0.01 0.31 0.13 -0.61 0.37 0.00 0.00 175.52 175.71 1kqg h GLN 178 N 1.08 0.35 -0.47 6.66 5.75 -0.51 -0.50 115.11 127.47 1kqg h GLN 178 Ca 0.26 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.69 1kqg h GLN 178 Cb 0.17 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1kqg h GLN 178 CO -0.03 0.33 0.22 0.87 -2.65 0.00 0.00 178.83 177.57 1kqg h LYS 179 N 0.29 0.69 0.74 1.69 1.57 -0.86 -1.76 116.57 118.92 1kqg h LYS 179 Ca 0.09 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1kqg h LYS 179 Cb 0.08 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1kqg h LYS 179 CO -0.01 0.59 -0.40 0.35 -0.57 0.00 0.00 179.45 179.41 1kqg h PHE 180 N 0.62 -1.06 0.33 -1.35 3.04 -0.94 -1.49 116.94 116.09 1kqg h PHE 180 Ca 0.16 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 1kqg h PHE 180 Cb 0.14 0.37 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 1kqg h PHE 180 CO -0.00 -0.63 -0.30 0.00 -2.02 0.00 0.00 178.31 175.36 1kqg h ALA 181 N -0.83 -0.65 -0.17 2.41 0.00 -1.05 -2.82 119.26 116.15 1kqg h ALA 181 Ca -0.10 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1kqg h ALA 181 Cb 0.83 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1kqg h ALA 181 CO 0.13 -0.90 -0.35 0.00 0.00 0.00 0.00 179.25 178.14 1kqg h ARG 182 N -0.65 0.36 0.00 0.00 2.47 -1.34 -1.68 114.38 113.55 1kqg h ARG 182 Ca -0.02 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.52 1kqg h ARG 182 Cb 0.58 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1kqg h ARG 182 CO -0.04 0.67 -0.11 0.66 0.56 0.00 0.00 179.97 181.71 1kqg h SER 183 N 0.31 0.00 0.38 7.04 4.64 -1.02 0.11 113.55 125.01 1kqg h SER 183 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1kqg h SER 183 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1kqg h SER 183 CO 0.06 0.11 -0.34 0.18 -0.87 0.00 0.00 176.83 175.96 1kqg n LEU 184 N -3.30 0.72 0.00 5.97 4.77 -1.06 -2.92 117.00 121.18 1kqg n LEU 184 Ca -0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1kqg n LEU 184 Cb 0.33 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1kqg n LEU 184 CO 0.30 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1kqg n GLY 185 N 1.41 0.71 3.76 -0.72 0.00 0.37 -4.50 105.19 106.23 1kqg n GLY 185 Ca 0.09 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1kqg n GLY 185 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kqg s MET 186 N -0.65 4.50 -0.01 1.61 -1.94 -0.65 -1.05 119.30 121.10 1kqg s MET 186 Ca 0.00 1.92 0.02 0.00 -1.71 0.00 0.00 55.69 55.93 1kqg s MET 186 Cb 0.00 -3.10 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 1kqg s MET 186 CO 0.00 0.04 0.04 1.28 -0.01 0.00 0.00 175.02 176.37 1kqg n LEU 187 N 0.95 0.00 -4.35 -0.03 4.77 -1.24 -4.61 117.00 112.49 1kqg n LEU 187 Ca -0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.54 1kqg n LEU 187 Cb 0.44 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1kqg n LEU 187 CO 0.55 0.01 1.49 0.00 -1.33 0.00 0.00 177.39 178.11 1kqg n ALA 188 N -1.71 4.18 -3.77 -1.18 0.00 -1.26 -4.38 120.51 112.39 1kqg n ALA 188 Ca -0.01 -4.28 -0.28 0.00 0.00 0.00 0.00 53.44 48.87 1kqg n ALA 188 Cb 0.19 -3.02 -0.16 0.00 0.00 0.00 0.00 19.45 16.46 1kqg n ALA 188 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1kqg s VAL 189 N 1.22 0.73 0.12 0.00 1.01 -1.26 -0.42 120.40 121.79 1kqg s VAL 189 Ca 0.42 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1kqg s VAL 189 Cb -0.01 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1kqg s VAL 189 CO 0.00 -0.24 -0.05 -1.81 0.00 0.00 0.00 175.10 173.01 1kqg s ASP 190 N 1.76 1.14 0.25 3.32 1.01 -0.86 -0.32 116.67 122.96 1kqg s ASP 190 Ca -0.01 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.21 1kqg s ASP 190 Cb -0.17 0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.86 1kqg s ASP 190 CO -0.09 -0.49 0.02 -0.46 0.21 0.00 0.00 175.17 174.35 1kqg n ASN 191 N -0.09 2.60 0.27 0.27 6.94 -0.58 -1.33 115.26 123.35 1kqg n ASN 191 Ca -0.11 -2.07 0.13 0.00 -0.02 0.00 0.00 54.58 52.51 1kqg n ASN 191 Cb 0.61 0.15 0.69 0.00 -2.36 0.00 0.00 39.78 38.87 1kqg n ASN 191 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1kqg h GLN 192 N 0.00 0.00 -0.61 -3.83 7.50 -1.91 -2.53 115.11 113.73 1kqg h GLN 192 Ca -0.20 0.00 0.12 0.00 0.50 0.00 0.00 58.65 59.06 1kqg h GLN 192 Cb 0.63 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.12 1kqg h GLN 192 CO 0.34 0.00 0.41 0.00 -1.50 0.00 0.00 178.83 178.08 1kqg h ALA 193 N 1.39 2.12 -0.88 3.87 0.00 -1.92 -0.66 119.26 123.18 1kqg h ALA 193 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1kqg h ALA 193 Cb 0.55 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1kqg h ALA 193 CO 0.00 -0.27 0.57 -0.09 0.00 0.00 0.00 179.25 179.47 1kqg h ARG 194 N 0.33 0.91 -0.70 0.00 9.65 -1.84 -1.38 114.38 121.35 1kqg h ARG 194 Ca 0.29 -0.05 -0.17 0.00 -1.10 0.00 0.00 59.98 58.95 1kqg h ARG 194 Cb 0.68 -0.21 -0.10 0.00 -1.39 0.00 0.00 29.97 28.95 1kqg h ARG 194 CO -0.07 0.60 0.21 1.33 2.80 0.00 0.00 179.97 184.84 1kqg n VAL 195 N -4.51 2.90 0.41 0.20 0.24 -0.26 -3.92 118.33 113.40 1kqg n VAL 195 Ca 0.14 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.83 1kqg n VAL 195 Cb 0.25 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 1kqg n VAL 195 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1kqg n HIS 197 N 0.00 0.00 -0.13 6.34 8.25 -1.16 -4.73 115.22 123.80 1kqg n HIS 197 Ca 0.38 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.80 1kqg n HIS 197 Cb 1.35 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 32.44 1kqg n HIS 197 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1kqg h GLY 198 N 2.44 0.31 1.16 -1.41 0.00 -1.54 0.08 103.07 104.12 1kqg h GLY 198 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.54 1kqg h GLY 198 CO 0.00 -0.15 0.37 -2.55 0.00 0.00 0.00 176.54 174.20 1kqg h PRO 199 N 0.01 0.40 0.02 4.80 0.11 -1.87 -1.52 132.00 133.95 1kqg h PRO 199 Ca 0.20 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1kqg h PRO 199 Cb 0.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1kqg h PRO 199 CO -0.42 0.26 -0.01 1.15 -0.21 0.00 0.00 178.00 178.78 1kqg h THR 200 N 0.41 1.14 -0.71 -1.15 2.02 -1.35 -0.33 112.91 112.94 1kqg h THR 200 Ca 0.25 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1kqg h THR 200 Cb 0.43 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1kqg h THR 200 CO -0.07 0.12 0.46 0.58 0.37 0.00 0.00 175.52 176.99 1kqg h VAL 201 N -0.22 1.19 0.00 3.16 2.07 -0.92 1.12 116.25 122.65 1kqg h VAL 201 Ca -0.00 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1kqg h VAL 201 Cb 0.21 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1kqg h VAL 201 CO 0.00 0.18 -0.07 0.00 0.02 0.00 0.00 177.57 177.71 1kqg h ALA 202 N 1.25 1.22 0.00 1.67 0.00 -1.08 -2.17 119.26 120.15 1kqg h ALA 202 Ca 0.26 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 1kqg h ALA 202 Cb -0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1kqg h ALA 202 CO -0.05 0.08 -1.64 -1.13 0.00 0.00 0.00 179.25 176.50 1kqg n SER 203 N -3.48 2.81 0.08 0.00 3.41 -0.15 -4.47 113.62 111.83 1kqg n SER 203 Ca -0.02 -0.02 -0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1kqg n SER 203 Cb 0.19 0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 64.57 1kqg n SER 203 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1kqg h LEU 204 N 0.00 0.27 0.12 1.04 3.38 0.12 -2.24 115.31 118.00 1kqg h LEU 204 Ca -0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1kqg h LEU 204 Cb 1.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1kqg h LEU 204 CO -0.00 1.11 -0.06 0.00 0.09 0.00 0.00 178.44 179.58 1kqg h ALA 205 N 0.86 -0.16 -0.93 1.53 0.00 -1.36 0.77 119.26 119.96 1kqg h ALA 205 Ca -0.06 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1kqg h ALA 205 Cb 1.68 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 1kqg h ALA 205 CO 0.15 -0.50 0.61 -1.35 0.00 0.00 0.00 179.25 178.17 1kqg h PRO 206 N -0.35 1.08 -0.00 0.00 0.11 -1.78 0.84 132.00 131.90 1kqg h PRO 206 Ca -0.02 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 1kqg h PRO 206 Cb 0.28 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 31.16 1kqg h PRO 206 CO 0.03 0.71 -0.30 1.15 -0.21 0.00 0.00 178.00 179.38 1kqg h THR 207 N 1.11 1.52 0.00 -1.15 2.02 -1.17 -3.42 112.91 111.82 1kqg h THR 207 Ca 0.39 -1.95 -0.00 0.00 0.77 0.00 0.00 66.41 65.62 1kqg h THR 207 Cb 0.12 2.72 -0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1kqg h THR 207 CO -0.14 0.54 -1.32 0.49 0.37 0.00 0.00 175.52 175.46 1kqg n PHE 208 N -4.46 0.00 0.00 3.16 3.72 0.24 -1.21 117.46 118.91 1kqg n PHE 208 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1kqg n PHE 208 Cb 0.53 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1kqg n PHE 208 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kqg n GLY 209 N 2.11 1.82 3.06 1.37 0.00 0.29 -4.63 105.19 109.21 1kqg n GLY 209 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1kqg n GLY 209 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kqg s ARG 210 N -0.09 0.52 0.00 1.61 0.52 -1.25 -4.82 118.95 115.45 1kqg s ARG 210 Ca 0.00 -0.85 0.26 0.00 -0.52 0.00 0.00 55.73 54.62 1kqg s ARG 210 Cb 0.00 -0.12 0.59 0.00 0.52 0.00 0.00 34.95 35.94 1kqg s ARG 210 CO 0.00 -0.00 1.46 0.41 0.02 0.00 0.00 175.30 177.19 1kqg n GLY 211 N 1.15 -0.33 3.91 -3.53 0.00 -1.26 -3.25 105.19 101.88 1kqg n GLY 211 Ca -0.21 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 1kqg n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kqg s ALA 212 N -2.42 3.32 0.20 4.61 0.00 -1.26 -4.30 121.76 121.91 1kqg s ALA 212 Ca 0.25 -0.57 -0.32 0.00 0.00 0.00 0.00 51.96 51.31 1kqg s ALA 212 Cb 0.19 -2.64 -0.14 0.00 0.00 0.00 0.00 23.12 20.53 1kqg s ALA 212 CO 0.50 -0.63 1.38 -0.12 0.00 0.00 0.00 175.76 176.90 1kqg n MET 213 N -2.48 1.81 0.11 0.00 0.00 -1.26 -4.89 117.12 110.41 1kqg n MET 213 Ca 0.03 0.65 0.02 0.00 -0.00 0.00 0.00 57.70 58.40 1kqg n MET 213 Cb 0.56 -2.29 -0.00 0.00 0.00 0.00 0.00 33.22 31.49 1kqg n MET 213 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1kqg h THR 214 N 3.09 0.69 -0.44 1.12 1.35 -1.72 -3.47 112.91 113.54 1kqg h THR 214 Ca -0.45 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 1kqg h THR 214 Cb 1.29 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 1kqg h THR 214 CO 0.77 0.39 0.00 0.59 -0.25 0.00 0.00 175.52 177.02 1kqg n ASN 215 N -3.10 0.00 -3.82 5.36 4.13 -1.26 -1.12 115.26 115.45 1kqg n ASN 215 Ca -0.01 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.15 1kqg n ASN 215 Cb 0.75 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.95 1kqg n ASN 215 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1kqg s HIS 216 N 3.30 0.04 0.13 3.10 -3.43 -1.26 -4.66 115.29 112.50 1kqg s HIS 216 Ca 0.00 -0.39 -0.29 0.00 -0.80 0.00 0.00 55.06 53.58 1kqg s HIS 216 Cb 0.00 0.30 -0.05 0.00 -1.43 0.00 0.00 32.58 31.40 1kqg s HIS 216 CO 0.00 -0.91 1.59 -1.49 -2.00 0.00 0.00 174.74 171.92 1kqg h TRP 217 N 2.25 -1.16 0.00 0.38 4.06 -1.96 -2.89 115.95 116.64 1kqg h TRP 217 Ca -0.28 0.05 -0.05 0.00 2.06 0.00 0.00 58.89 60.66 1kqg h TRP 217 Cb 1.25 0.52 -0.01 0.00 -1.00 0.00 0.00 29.16 29.93 1kqg h TRP 217 CO 0.37 -0.47 -0.26 0.28 -3.56 0.00 0.00 178.44 174.81 1kqg h VAL 218 N -0.49 1.15 0.00 1.49 2.07 -1.90 -2.05 116.25 116.52 1kqg h VAL 218 Ca 0.07 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1kqg h VAL 218 Cb 0.62 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1kqg h VAL 218 CO -0.38 0.25 -0.01 -0.78 0.02 0.00 0.00 177.57 176.68 1kqg h ASP 219 N 0.00 0.00 -0.06 0.57 1.82 -1.75 -2.09 116.42 114.91 1kqg h ASP 219 Ca -0.00 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1kqg h ASP 219 Cb 0.46 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.47 1kqg h ASP 219 CO 0.03 0.01 0.07 0.40 -1.61 0.00 0.00 179.24 178.14 1kqg h ILE 220 N 0.00 0.52 0.00 2.25 2.04 -1.41 -1.00 117.51 119.91 1kqg h ILE 220 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1kqg h ILE 220 Cb 0.03 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1kqg h ILE 220 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 178.15 178.22 1kqg h LYS 221 N 0.00 0.00 -0.00 2.37 2.10 -1.39 -1.08 116.57 118.57 1kqg h LYS 221 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1kqg h LYS 221 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1kqg h LYS 221 CO -0.00 0.00 -0.13 0.09 -2.00 0.00 0.00 179.45 177.41 1kqg n ASN 222 N -2.88 0.27 -4.75 7.07 3.02 -0.38 -4.09 115.26 113.52 1kqg n ASN 222 Ca -0.01 -0.15 -0.31 0.00 -0.03 0.00 0.00 54.58 54.08 1kqg n ASN 222 Cb 0.14 -0.17 0.11 0.00 -0.61 0.00 0.00 39.78 39.24 1kqg n ASN 222 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kqg s ALA 223 N -2.73 2.09 -0.07 5.41 0.00 -0.41 -4.62 121.76 121.42 1kqg s ALA 223 Ca 0.22 0.32 0.17 0.00 0.00 0.00 0.00 51.96 52.67 1kqg s ALA 223 Cb 0.19 -3.31 -0.26 0.00 0.00 0.00 0.00 23.12 19.75 1kqg s ALA 223 CO 0.53 -1.98 0.28 0.09 0.00 0.00 0.00 175.76 174.68 1kqg n ASN 224 N -3.67 0.84 -3.77 0.00 3.02 -0.59 -4.64 115.26 106.43 1kqg n ASN 224 Ca 0.10 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.47 1kqg n ASN 224 Cb 0.53 1.52 -0.16 0.00 -0.61 0.00 0.00 39.78 41.05 1kqg n ASN 224 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kqg s VAL 225 N -2.97 0.06 -0.21 2.41 1.01 -0.76 -2.20 120.40 117.74 1kqg s VAL 225 Ca -0.07 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1kqg s VAL 225 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 1kqg s VAL 225 CO 0.73 0.14 -0.01 -0.69 0.00 0.00 0.00 175.10 175.27 1kqg s VAL 226 N 1.29 3.79 -0.29 2.92 1.01 -0.39 -1.41 120.40 127.32 1kqg s VAL 226 Ca -0.06 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1kqg s VAL 226 Cb -0.13 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 1kqg s VAL 226 CO -0.03 0.42 0.09 -0.32 0.00 0.00 0.00 175.10 175.27 1kqg s MET 227 N 1.13 3.26 -0.59 2.72 1.75 -0.47 -1.03 119.30 126.08 1kqg s MET 227 Ca 0.02 -0.75 -0.07 0.00 -1.25 0.00 0.00 55.69 53.64 1kqg s MET 227 Cb -0.14 -3.40 0.15 0.00 2.84 0.00 0.00 34.83 34.28 1kqg s MET 227 CO 0.01 -0.38 0.45 0.08 -0.65 0.00 0.00 175.02 174.52 1kqg s VAL 228 N 1.55 4.23 -0.04 10.11 1.01 0.34 -0.51 120.40 137.09 1kqg s VAL 228 Ca 0.04 -2.34 -0.00 0.00 0.00 0.00 0.00 61.98 59.68 1kqg s VAL 228 Cb -0.17 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1kqg s VAL 228 CO 0.03 -0.85 0.00 -0.32 0.00 0.00 0.00 175.10 173.96 1kqg s MET 229 N 0.63 0.37 0.00 2.72 0.00 -1.22 -1.68 119.30 120.12 1kqg s MET 229 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 55.69 55.92 1kqg s MET 229 Cb -0.21 -0.64 0.00 0.00 0.00 0.00 0.00 34.83 33.98 1kqg s MET 229 CO -0.03 -0.19 0.00 0.41 0.00 0.00 0.00 175.02 175.20 1kqg n GLY 230 N 4.52 0.64 3.68 2.11 0.00 -1.26 -4.48 105.19 110.40 1kqg n GLY 230 Ca -0.19 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 1kqg n GLY 230 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kqg s GLY 231 N -2.31 -0.31 -0.39 -0.02 0.00 -1.26 -0.52 107.32 102.51 1kqg s GLY 231 Ca 0.00 0.33 0.10 0.00 0.00 0.00 0.00 44.72 45.15 1kqg s GLY 231 CO 0.00 0.09 0.68 -2.01 0.00 0.00 0.00 173.10 171.86 1kqg n ASN 232 N -0.40 0.89 -0.02 1.64 5.15 -1.26 -4.94 115.26 116.32 1kqg n ASN 232 Ca -0.07 -2.96 0.21 0.00 -0.60 0.00 0.00 54.58 51.15 1kqg n ASN 232 Cb 0.61 -0.62 0.69 0.00 -0.53 0.00 0.00 39.78 39.93 1kqg n ASN 232 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kqg h ALA 233 N 3.32 2.53 0.00 5.20 0.00 -1.92 0.23 119.26 128.61 1kqg h ALA 233 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kqg h ALA 233 Cb 0.91 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1kqg h ALA 233 CO 0.51 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1kqg h ALA 234 N 1.72 1.00 0.00 0.00 0.00 -1.92 -0.65 119.26 119.41 1kqg h ALA 234 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 1kqg h ALA 234 Cb 1.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1kqg h ALA 234 CO -0.00 0.00 -1.68 0.39 0.00 0.00 0.00 179.25 177.95 1kqg n GLU 235 N -2.94 1.93 0.02 0.00 1.02 0.54 -4.39 120.64 116.82 1kqg n GLU 235 Ca -0.00 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 1kqg n GLU 235 Cb 0.23 -1.25 -0.11 0.00 -0.02 0.00 0.00 31.44 30.29 1kqg n GLU 235 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kqg n ALA 236 N -2.48 2.32 -2.99 0.62 0.00 0.21 -3.97 120.51 114.24 1kqg n ALA 236 Ca -0.17 -0.58 -0.14 0.00 0.00 0.00 0.00 53.44 52.55 1kqg n ALA 236 Cb 0.80 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1kqg n ALA 236 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1kqg n HIS 237 N -2.59 0.21 -0.14 0.00 8.25 -0.26 -4.92 115.22 115.75 1kqg n HIS 237 Ca -0.09 -3.35 -0.07 0.00 -0.26 0.00 0.00 57.72 53.95 1kqg n HIS 237 Cb 0.72 -0.22 0.02 0.00 1.12 0.00 0.00 29.99 31.63 1kqg n HIS 237 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1kqg h PRO 238 N 2.97 0.51 -0.06 -0.41 0.13 -1.73 -1.07 132.00 132.34 1kqg h PRO 238 Ca 0.02 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.97 1kqg h PRO 238 Cb 1.05 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1kqg h PRO 238 CO 0.46 0.34 -0.61 0.28 -0.23 0.00 0.00 178.00 178.24 1kqg h VAL 239 N 0.53 1.39 -0.08 1.56 2.07 -1.93 -2.34 116.25 117.46 1kqg h VAL 239 Ca 0.18 -2.01 -0.08 0.00 0.82 0.00 0.00 66.70 65.61 1kqg h VAL 239 Cb 0.01 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1kqg h VAL 239 CO -0.08 0.59 -0.30 1.23 0.02 0.00 0.00 177.57 179.03 1kqg h GLY 240 N 1.51 0.16 2.00 2.17 0.00 -1.80 -2.20 103.07 104.91 1kqg h GLY 240 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1kqg h GLY 240 CO 0.09 0.11 0.00 -2.75 0.00 0.00 0.00 176.54 174.00 1kqg h PHE 241 N 0.13 0.00 -0.96 5.60 3.57 -0.64 -2.70 116.94 121.95 1kqg h PHE 241 Ca 0.02 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.68 1kqg h PHE 241 Cb 0.60 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.26 1kqg h PHE 241 CO 0.01 0.00 0.60 -0.09 -2.23 0.00 0.00 178.31 176.60 1kqg h ARG 242 N 0.00 0.71 0.00 1.11 2.43 -1.28 0.88 114.38 118.23 1kqg h ARG 242 Ca 0.00 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1kqg h ARG 242 Cb 0.32 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1kqg h ARG 242 CO 0.00 0.47 -0.29 -1.49 -1.51 0.00 0.00 179.97 177.15 1kqg h TRP 243 N 0.73 0.00 -0.15 2.20 4.06 -1.69 -0.25 115.95 120.85 1kqg h TRP 243 Ca 0.51 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.26 1kqg h TRP 243 Cb 0.81 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.97 1kqg h TRP 243 CO -0.00 0.29 -0.70 0.00 -3.56 0.00 0.00 178.44 174.47 1kqg h ALA 244 N 1.71 0.49 -0.05 1.49 0.00 -1.04 -1.49 119.26 120.37 1kqg h ALA 244 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1kqg h ALA 244 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1kqg h ALA 244 CO 0.04 0.71 -0.43 0.52 0.00 0.00 0.00 179.25 180.09 1kqg h MET 245 N 0.45 0.10 -0.08 0.00 2.86 -0.59 -0.30 114.93 117.37 1kqg h MET 245 Ca -0.03 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1kqg h MET 245 Cb 1.29 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 1kqg h MET 245 CO 0.13 0.51 -0.06 0.93 1.06 0.00 0.00 176.91 179.49 1kqg h GLU 246 N 0.08 0.18 -0.28 1.72 4.39 -0.82 0.66 114.58 120.52 1kqg h GLU 246 Ca 0.01 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1kqg h GLU 246 Cb 0.79 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.41 1kqg h GLU 246 CO 0.06 0.58 0.10 0.00 -1.16 0.00 0.00 179.01 178.59 1kqg h ALA 247 N 0.60 0.32 0.53 3.43 0.00 -1.04 0.92 119.26 124.02 1kqg h ALA 247 Ca 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1kqg h ALA 247 Cb 0.53 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1kqg h ALA 247 CO 0.02 -0.30 -0.26 -0.22 0.00 0.00 0.00 179.25 178.48 1kqg h LYS 248 N 0.23 -0.69 -0.15 0.00 3.64 -0.92 -1.06 116.57 117.62 1kqg h LYS 248 Ca 0.12 0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.33 1kqg h LYS 248 Cb 0.09 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1kqg h LYS 248 CO -0.13 -0.41 -0.77 -0.91 -2.27 0.00 0.00 179.45 174.97 1kqg h ASN 249 N -0.84 0.89 -0.00 4.20 2.35 -0.81 -2.95 115.58 118.41 1kqg h ASN 249 Ca -0.07 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1kqg h ASN 249 Cb 0.60 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1kqg h ASN 249 CO 0.12 1.37 -0.09 0.59 -1.65 0.00 0.00 177.43 177.77 1kqg n ASN 250 N -3.92 1.05 -0.09 5.81 3.02 0.31 -4.52 115.26 116.91 1kqg n ASN 250 Ca -0.07 -1.02 0.01 0.00 -0.03 0.00 0.00 54.58 53.47 1kqg n ASN 250 Cb 0.74 0.37 0.01 0.00 -0.61 0.00 0.00 39.78 40.29 1kqg n ASN 250 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1kqg n ASN 251 N -0.20 1.50 -3.05 6.41 5.15 -0.57 -4.97 115.26 119.53 1kqg n ASN 251 Ca 0.03 -1.39 -0.23 0.00 -0.60 0.00 0.00 54.58 52.39 1kqg n ASN 251 Cb 0.13 -0.01 0.04 0.00 -0.53 0.00 0.00 39.78 39.40 1kqg n ASN 251 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1kqg n ASP 252 N -0.04 -6.18 -4.88 1.20 8.00 -1.06 -4.93 116.55 108.66 1kqg n ASP 252 Ca 0.01 -0.30 -0.30 0.00 0.71 0.00 0.00 54.79 54.91 1kqg n ASP 252 Cb 0.13 -4.99 0.02 0.00 -0.02 0.00 0.00 41.12 36.26 1kqg n ASP 252 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kqg s ALA 253 N -3.19 3.11 -0.25 2.24 0.00 -0.51 -4.96 121.76 118.20 1kqg s ALA 253 Ca 0.32 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.96 1kqg s ALA 253 Cb -0.14 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1kqg s ALA 253 CO 0.39 -0.74 0.13 0.99 0.00 0.00 0.00 175.76 176.53 1kqg s THR 254 N -3.15 4.96 -0.22 0.00 2.01 -0.94 -4.48 115.64 113.83 1kqg s THR 254 Ca 0.55 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.44 1kqg s THR 254 Cb -0.11 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1kqg s THR 254 CO 0.52 0.33 0.37 -0.22 -0.69 0.00 0.00 174.62 174.93 1kqg s LEU 255 N 1.31 4.13 -0.10 4.42 2.96 -1.26 -1.26 118.68 128.88 1kqg s LEU 255 Ca 0.06 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1kqg s LEU 255 Cb -0.15 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 1kqg s LEU 255 CO 0.06 -0.09 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.20 1kqg s ILE 256 N 1.44 2.68 -0.16 6.68 1.01 -0.20 0.19 121.20 132.84 1kqg s ILE 256 Ca 0.17 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 1kqg s ILE 256 Cb -0.15 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1kqg s ILE 256 CO 0.08 0.55 -0.13 -0.69 0.00 0.00 0.00 174.94 174.75 1kqg s VAL 257 N 0.12 2.87 -0.27 2.92 1.01 -0.23 -0.50 120.40 126.32 1kqg s VAL 257 Ca -0.09 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1kqg s VAL 257 Cb -0.15 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.06 1kqg s VAL 257 CO 0.05 0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 174.89 1kqg s VAL 258 N 0.76 2.42 -0.03 2.92 1.01 -0.68 -1.09 120.40 125.72 1kqg s VAL 258 Ca -0.05 -1.55 -0.28 0.00 0.00 0.00 0.00 61.98 60.10 1kqg s VAL 258 Cb -0.15 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.88 1kqg s VAL 258 CO 0.01 -0.05 0.62 -0.62 0.00 0.00 0.00 175.10 175.06 1kqg s ASP 259 N 1.15 -0.58 0.56 3.32 -1.08 -0.84 -4.01 116.67 115.19 1kqg s ASP 259 Ca -0.08 0.57 0.27 0.00 -0.52 0.00 0.00 52.55 52.79 1kqg s ASP 259 Cb -0.20 0.51 1.51 0.00 -1.46 0.00 0.00 42.92 43.28 1kqg s ASP 259 CO -0.04 -0.61 2.04 1.55 0.52 0.00 0.00 175.17 178.63 1kqg h PRO 260 N 3.07 0.00 -6.42 4.34 0.13 -1.83 -3.27 132.00 128.02 1kqg h PRO 260 Ca -0.28 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.23 1kqg h PRO 260 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 1kqg h PRO 260 CO 0.39 0.00 -0.71 1.03 -0.23 0.00 0.00 178.00 178.48 1kqg s ARG 261 N -4.79 2.10 -0.61 0.86 0.52 -1.26 -4.71 118.95 111.07 1kqg s ARG 261 Ca -0.05 -1.26 -0.23 0.00 -0.52 0.00 0.00 55.73 53.67 1kqg s ARG 261 Cb 0.17 -2.18 0.06 0.00 0.52 0.00 0.00 34.95 33.52 1kqg s ARG 261 CO 0.62 0.43 0.92 0.12 0.02 0.00 0.00 175.30 177.41 1kqg s PHE 262 N -1.75 2.75 0.15 -0.53 2.19 -0.48 -4.95 117.98 115.38 1kqg s PHE 262 Ca 0.25 -0.37 0.01 0.00 0.33 0.00 0.00 56.93 57.16 1kqg s PHE 262 Cb -0.09 -4.14 0.03 0.00 -1.31 0.00 0.00 43.02 37.51 1kqg s PHE 262 CO 0.16 -1.48 0.21 0.25 1.83 0.00 0.00 175.22 176.19 1kqg n THR 263 N 5.98 0.00 0.23 0.12 -2.24 -1.26 -4.86 114.28 112.25 1kqg n THR 263 Ca -0.02 -0.43 0.10 0.00 -2.27 0.00 0.00 64.05 61.42 1kqg n THR 263 Cb 0.46 -1.04 0.52 0.00 -2.10 0.00 0.00 70.33 68.17 1kqg n THR 263 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1kqg h ARG 264 N 0.00 0.00 -0.18 -0.78 3.08 -1.96 -1.69 114.38 112.85 1kqg h ARG 264 Ca -0.07 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.82 1kqg h ARG 264 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1kqg h ARG 264 CO 0.09 0.22 -0.50 1.15 -1.07 0.00 0.00 179.97 179.86 1kqg h THR 265 N 0.00 1.32 -0.98 2.04 2.02 -1.90 -2.90 112.91 112.51 1kqg h THR 265 Ca -0.00 -1.74 0.10 0.00 0.77 0.00 0.00 66.41 65.53 1kqg h THR 265 Cb 0.64 1.94 -0.08 0.00 -1.74 0.00 0.00 68.15 68.92 1kqg h THR 265 CO 0.03 0.54 0.63 0.00 0.37 0.00 0.00 175.52 177.09 1kqg h ALA 266 N 0.57 1.51 -0.98 6.16 0.00 -1.81 -2.68 119.26 122.02 1kqg h ALA 266 Ca -0.01 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.20 1kqg h ALA 266 Cb 1.12 -0.24 -0.18 0.00 0.00 0.00 0.00 17.79 18.49 1kqg h ALA 266 CO 0.11 0.28 0.15 1.03 0.00 0.00 0.00 179.25 180.82 1kqg h SER 267 N 1.03 -0.28 -0.42 0.00 0.87 -1.10 -0.03 113.55 113.63 1kqg h SER 267 Ca 0.46 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 61.29 1kqg h SER 267 Cb 0.38 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1kqg h SER 267 CO -0.22 -0.35 0.00 1.33 -0.53 0.00 0.00 176.83 177.05 1kqg n VAL 268 N -5.42 0.54 -2.83 2.23 0.24 -1.03 -5.01 118.33 107.05 1kqg n VAL 268 Ca 0.26 -0.75 -0.33 0.00 -2.04 0.00 0.00 64.34 61.49 1kqg n VAL 268 Cb 0.86 0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 34.05 1kqg n VAL 268 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kqg s ALA 269 N -1.46 3.13 0.09 2.33 0.00 -0.03 -4.93 121.76 120.89 1kqg s ALA 269 Ca 0.39 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 1kqg s ALA 269 Cb 0.23 -3.02 -0.20 0.00 0.00 0.00 0.00 23.12 20.12 1kqg s ALA 269 CO 0.31 0.11 1.21 -0.44 0.00 0.00 0.00 175.76 176.96 1kqg h ASP 270 N 1.80 0.75 -3.66 0.00 3.32 -0.58 -3.45 116.42 114.59 1kqg h ASP 270 Ca -0.48 -0.63 -0.54 0.00 0.02 0.00 0.00 57.03 55.40 1kqg h ASP 270 Cb 1.18 -0.23 -0.32 0.00 0.22 0.00 0.00 39.33 40.18 1kqg h ASP 270 CO 0.62 1.44 -0.83 -0.63 -1.72 0.00 0.00 179.24 178.12 1kqg s ILE 271 N -3.19 1.31 -0.07 0.35 1.01 -1.07 -5.02 121.20 114.51 1kqg s ILE 271 Ca -0.08 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1kqg s ILE 271 Cb 0.07 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.39 1kqg s ILE 271 CO 0.90 0.39 -0.23 -0.47 0.00 0.00 0.00 174.94 175.53 1kqg s TYR 272 N 0.31 2.36 -0.03 3.97 5.04 -1.26 -1.07 117.35 126.68 1kqg s TYR 272 Ca -0.09 -0.81 0.01 0.00 -2.44 0.00 0.00 57.07 53.74 1kqg s TYR 272 Cb -0.13 -1.57 0.01 0.00 0.35 0.00 0.00 41.96 40.62 1kqg s TYR 272 CO 0.03 -0.29 -0.04 0.00 -1.34 0.00 0.00 175.55 173.91 1kqg s ALA 273 N 0.08 0.56 0.59 3.97 0.00 -0.25 -4.99 121.76 121.72 1kqg s ALA 273 Ca -0.10 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 1kqg s ALA 273 Cb -0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1kqg s ALA 273 CO 0.05 0.03 1.02 -1.25 0.00 0.00 0.00 175.76 175.61 1kqg s PRO 274 N 0.58 3.68 -0.18 0.00 0.04 -1.26 -1.99 135.00 135.86 1kqg s PRO 274 Ca -0.07 0.84 -0.21 0.00 0.04 0.00 0.00 61.00 61.60 1kqg s PRO 274 Cb -0.11 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1kqg s PRO 274 CO -0.00 -0.50 0.57 -1.50 0.04 0.00 0.00 177.00 175.61 1kqg s ILE 275 N -2.97 0.00 0.17 0.56 2.07 -1.23 -4.32 121.20 115.48 1kqg s ILE 275 Ca 0.57 -0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 59.47 1kqg s ILE 275 Cb -0.11 -0.81 -0.07 0.00 0.13 0.00 0.00 42.46 41.60 1kqg s ILE 275 CO 0.46 -0.02 0.95 -0.60 -1.91 0.00 0.00 174.94 173.82 1kqg s ARG 276 N 0.02 4.77 0.20 3.50 3.52 -0.49 -2.81 118.95 127.66 1kqg s ARG 276 Ca -0.02 1.46 -0.32 0.00 -0.13 0.00 0.00 55.73 56.72 1kqg s ARG 276 Cb -0.04 -3.33 -0.14 0.00 -1.56 0.00 0.00 34.95 29.88 1kqg s ARG 276 CO 0.02 0.36 1.34 0.43 -0.81 0.00 0.00 175.30 176.64 1kqg n SER 277 N 2.19 2.29 0.00 -2.12 7.64 -1.26 -2.66 113.62 119.70 1kqg n SER 277 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1kqg n SER 277 Cb 0.48 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1kqg n SER 277 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kqg n GLY 278 N 2.25 0.75 0.04 0.23 0.00 -1.26 -4.92 105.19 102.28 1kqg n GLY 278 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1kqg n GLY 278 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kqg n THR 279 N -2.40 1.34 -0.34 2.61 -2.24 -1.09 -4.64 114.28 107.51 1kqg n THR 279 Ca 0.00 -1.48 0.07 0.00 -2.27 0.00 0.00 64.05 60.37 1kqg n THR 279 Cb 0.00 0.22 0.23 0.00 -2.10 0.00 0.00 70.33 68.68 1kqg n THR 279 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1kqg h ASP 280 N 0.05 0.84 -0.47 3.42 3.32 -1.93 -2.10 116.42 119.55 1kqg h ASP 280 Ca 0.00 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1kqg h ASP 280 Cb 0.70 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1kqg h ASP 280 CO 0.00 0.44 0.32 0.40 -1.72 0.00 0.00 179.24 178.67 1kqg h ILE 281 N 0.92 1.03 0.38 0.35 2.04 -1.91 0.37 117.51 120.68 1kqg h ILE 281 Ca 0.48 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 66.15 1kqg h ILE 281 Cb 0.51 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1kqg h ILE 281 CO -0.28 0.09 -0.18 0.74 0.00 0.00 0.00 178.15 178.52 1kqg h THR 282 N 0.50 0.50 -0.35 -0.27 2.02 -1.76 0.94 112.91 114.49 1kqg h THR 282 Ca 0.19 -0.61 0.07 0.00 0.77 0.00 0.00 66.41 66.84 1kqg h THR 282 Cb 0.14 0.75 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 1kqg h THR 282 CO -0.05 0.09 -0.08 0.15 0.37 0.00 0.00 175.52 176.00 1kqg h PHE 283 N -0.91 -0.18 -0.47 3.16 3.04 -1.20 0.17 116.94 120.55 1kqg h PHE 283 Ca -0.05 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.81 1kqg h PHE 283 Cb 0.54 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 1kqg h PHE 283 CO 0.02 -0.15 -0.18 -0.07 -2.02 0.00 0.00 178.31 175.91 1kqg h LEU 284 N 0.00 0.93 -1.46 0.59 3.38 -0.96 -1.56 115.31 116.23 1kqg h LEU 284 Ca 0.17 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1kqg h LEU 284 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1kqg h LEU 284 CO -0.36 1.09 -0.03 0.28 0.09 0.00 0.00 178.44 179.50 1kqg h SER 285 N 0.80 0.28 -0.62 -0.43 0.02 -0.48 -0.79 113.55 112.34 1kqg h SER 285 Ca 0.11 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1kqg h SER 285 Cb 0.73 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1kqg h SER 285 CO 0.06 0.37 0.16 1.23 -1.14 0.00 0.00 176.83 177.51 1kqg h GLY 286 N 0.65 1.09 0.97 -3.77 0.00 -0.39 0.04 103.07 101.66 1kqg h GLY 286 Ca 0.07 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1kqg h GLY 286 CO 0.01 0.62 -0.05 -2.08 0.00 0.00 0.00 176.54 175.04 1kqg h VAL 287 N 0.97 1.27 -0.36 4.60 2.07 -0.25 -1.33 116.25 123.22 1kqg h VAL 287 Ca 0.21 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.65 1kqg h VAL 287 Cb 0.33 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1kqg h VAL 287 CO -0.00 0.37 0.17 -0.07 0.02 0.00 0.00 177.57 178.07 1kqg h LEU 288 N 0.58 0.25 -0.83 2.57 3.38 -0.68 -0.35 115.31 120.22 1kqg h LEU 288 Ca 0.11 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1kqg h LEU 288 Cb 0.55 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1kqg h LEU 288 CO 0.03 0.18 0.49 -0.09 0.09 0.00 0.00 178.44 179.14 1kqg h ARG 289 N 0.36 1.13 -0.67 1.13 2.43 -0.81 -1.16 114.38 116.79 1kqg h ARG 289 Ca 0.16 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1kqg h ARG 289 Cb 0.08 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1kqg h ARG 289 CO -0.12 0.80 0.27 -0.92 -1.51 0.00 0.00 179.97 178.50 1kqg h TYR 290 N 1.14 1.02 -0.34 2.20 5.03 -0.76 -1.17 116.97 124.08 1kqg h TYR 290 Ca 0.30 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.48 1kqg h TYR 290 Cb -0.03 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 37.93 1kqg h TYR 290 CO -0.00 0.79 -0.01 -0.07 -1.32 0.00 0.00 178.16 177.55 1kqg h LEU 291 N 0.95 0.60 0.03 2.82 3.38 -0.49 -1.64 115.31 120.96 1kqg h LEU 291 Ca 0.22 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1kqg h LEU 291 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1kqg h LEU 291 CO -0.02 0.77 -0.01 0.40 0.09 0.00 0.00 178.44 179.66 1kqg h ILE 292 N 0.42 1.13 -0.90 1.22 2.04 -1.18 0.11 117.51 120.35 1kqg h ILE 292 Ca 0.10 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1kqg h ILE 292 Cb 0.46 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1kqg h ILE 292 CO 0.02 0.13 0.57 -0.08 0.00 0.00 0.00 178.15 178.79 1kqg h GLU 293 N -0.26 1.19 -0.18 2.37 4.81 -1.19 -1.56 114.58 119.76 1kqg h GLU 293 Ca -0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1kqg h GLU 293 Cb 0.25 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1kqg h GLU 293 CO 0.01 0.81 0.00 0.09 -0.73 0.00 0.00 179.01 179.19 1kqg n ASN 294 N -4.38 1.98 -3.69 1.04 3.02 -0.62 -4.93 115.26 107.68 1kqg n ASN 294 Ca 0.10 -1.74 -0.25 0.00 -0.03 0.00 0.00 54.58 52.66 1kqg n ASN 294 Cb 0.04 -0.11 0.06 0.00 -0.61 0.00 0.00 39.78 39.16 1kqg n ASN 294 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1kqg n ASN 295 N 0.53 -5.10 -4.08 6.41 5.15 -0.44 -4.89 115.26 112.83 1kqg n ASN 295 Ca 0.17 -0.64 -0.43 0.00 -0.60 0.00 0.00 54.58 53.07 1kqg n ASN 295 Cb 0.39 -4.61 0.01 0.00 -0.53 0.00 0.00 39.78 35.03 1kqg n ASN 295 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1kqg n LYS 296 N -4.77 4.25 -4.07 1.20 4.76 0.24 -4.94 118.16 114.84 1kqg n LYS 296 Ca -0.03 -4.53 -0.08 0.00 -2.87 0.00 0.00 58.31 50.79 1kqg n LYS 296 Cb 0.57 -2.52 -0.09 0.00 -1.84 0.00 0.00 35.03 31.14 1kqg n LYS 296 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1kqg s ILE 297 N -2.43 0.16 -0.92 -0.18 -4.36 -1.26 -4.75 121.20 107.46 1kqg s ILE 297 Ca 0.31 -1.73 -0.11 0.00 -0.26 0.00 0.00 60.65 58.85 1kqg s ILE 297 Cb 0.01 -1.69 0.24 0.00 1.25 0.00 0.00 42.46 42.27 1kqg s ILE 297 CO 0.06 -0.74 0.87 0.21 0.24 0.00 0.00 174.94 175.58 1kqg s ASN 298 N -2.96 6.85 0.21 4.36 3.84 -0.38 -4.84 114.94 122.02 1kqg s ASN 298 Ca 0.13 -3.04 -0.09 0.00 0.21 0.00 0.00 52.86 50.07 1kqg s ASN 298 Cb 0.07 -2.18 0.30 0.00 -0.55 0.00 0.00 41.25 38.89 1kqg s ASN 298 CO -0.06 -0.45 1.74 0.00 -2.79 0.00 0.00 177.10 175.54 1kqg h ALA 299 N 7.31 0.83 -0.52 1.71 0.00 -1.89 -1.01 119.26 125.68 1kqg h ALA 299 Ca 0.13 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1kqg h ALA 299 Cb 0.97 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1kqg h ALA 299 CO 0.84 -0.19 0.02 0.93 0.00 0.00 0.00 179.25 180.86 1kqg h GLU 300 N 0.42 0.87 0.05 0.00 4.39 -1.99 -0.61 114.58 117.71 1kqg h GLU 300 Ca 0.32 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1kqg h GLU 300 Cb 0.41 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1kqg h GLU 300 CO -0.32 0.85 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.44 1kqg h TYR 301 N 0.81 -0.06 -0.26 4.33 5.03 -1.76 -2.29 116.97 122.77 1kqg h TYR 301 Ca 0.16 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.46 1kqg h TYR 301 Cb 0.45 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 1kqg h TYR 301 CO 0.03 0.03 0.15 0.28 -1.32 0.00 0.00 178.16 177.33 1kqg h VAL 302 N -0.14 1.10 -0.96 1.81 2.07 -1.00 0.23 116.25 119.36 1kqg h VAL 302 Ca -0.01 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1kqg h VAL 302 Cb 0.12 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1kqg h VAL 302 CO 0.01 0.10 0.63 0.50 0.02 0.00 0.00 177.57 178.83 1kqg h LYS 303 N 0.32 1.24 0.04 1.57 3.64 -1.04 -3.08 116.57 119.25 1kqg h LYS 303 Ca 0.09 -0.07 -0.37 0.00 -1.27 0.00 0.00 60.65 59.02 1kqg h LYS 303 Cb 0.03 -0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 31.51 1kqg h LYS 303 CO -0.02 0.82 -2.28 0.72 -2.27 0.00 0.00 179.45 176.42 1kqg n HIS 304 N -4.40 0.42 1.06 1.91 8.25 -0.87 -4.67 115.22 116.92 1kqg n HIS 304 Ca 0.12 0.10 0.12 0.00 -0.26 0.00 0.00 57.72 57.79 1kqg n HIS 304 Cb 0.04 -1.06 0.19 0.00 1.12 0.00 0.00 29.99 30.28 1kqg n HIS 304 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1kqg n TYR 305 N -3.25 0.00 -4.22 4.41 4.01 0.79 -4.95 117.16 113.95 1kqg n TYR 305 Ca -0.39 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.07 1kqg n TYR 305 Cb 1.03 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.87 1kqg n TYR 305 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1kqg s THR 306 N -2.85 1.59 -0.74 -0.72 -4.23 -1.16 -0.90 115.64 106.63 1kqg s THR 306 Ca 0.14 -1.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1kqg s THR 306 Cb 0.18 -2.28 0.37 0.00 1.34 0.00 0.00 72.50 72.11 1kqg s THR 306 CO 0.68 0.00 1.09 -0.46 -0.54 0.00 0.00 174.62 175.39 1kqg n ASN 307 N -1.51 3.09 -0.32 3.99 6.94 -0.58 -4.60 115.26 122.27 1kqg n ASN 307 Ca -0.08 -2.40 0.19 0.00 -0.02 0.00 0.00 54.58 52.27 1kqg n ASN 307 Cb 0.65 -0.56 0.39 0.00 -2.36 0.00 0.00 39.78 37.90 1kqg n ASN 307 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kqg h ALA 308 N 2.97 1.70 0.00 -2.53 0.00 -1.87 -1.30 119.26 118.23 1kqg h ALA 308 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1kqg h ALA 308 Cb 1.14 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1kqg h ALA 308 CO 0.21 -0.46 -0.36 -1.13 0.00 0.00 0.00 179.25 177.51 1kqg n SER 309 N -5.06 0.43 -4.77 0.00 3.41 -1.26 -0.58 113.62 105.78 1kqg n SER 309 Ca 0.27 0.07 -0.36 0.00 -0.26 0.00 0.00 58.87 58.59 1kqg n SER 309 Cb 0.83 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.75 1kqg n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1kqg s LEU 310 N -3.34 3.85 -0.17 1.04 1.02 -0.49 -0.45 118.68 120.13 1kqg s LEU 310 Ca 0.11 2.30 -0.11 0.00 0.02 0.00 0.00 54.13 56.45 1kqg s LEU 310 Cb 0.17 -4.43 -0.05 0.00 0.02 0.00 0.00 46.19 41.90 1kqg s LEU 310 CO 0.65 -1.19 0.18 -0.76 0.02 0.00 0.00 176.35 175.26 1kqg s LEU 311 N -3.52 4.25 0.00 1.79 1.43 -0.14 -1.13 118.68 121.36 1kqg s LEU 311 Ca 0.70 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 54.02 1kqg s LEU 311 Cb -0.28 -2.17 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 1kqg s LEU 311 CO 0.32 0.20 0.38 -0.69 0.23 0.00 0.00 176.35 176.80 1kqg s VAL 312 N 0.13 5.08 0.43 -1.59 1.01 0.68 0.55 120.40 126.68 1kqg s VAL 312 Ca 0.12 0.73 -0.21 0.00 0.00 0.00 0.00 61.98 62.61 1kqg s VAL 312 Cb -0.12 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 1kqg s VAL 312 CO 0.01 0.54 0.34 0.54 0.00 0.00 0.00 175.10 176.53 1kqg n ARG 313 N 1.70 0.32 0.21 2.72 1.74 -0.37 -4.67 116.66 118.30 1kqg n ARG 313 Ca -0.14 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.14 1kqg n ARG 313 Cb 0.53 -1.31 0.44 0.00 -1.02 0.00 0.00 32.46 31.10 1kqg n ARG 313 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1kqg h ASP 314 N 0.53 0.00 -0.00 0.55 3.32 -1.92 -2.18 116.42 116.72 1kqg h ASP 314 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1kqg h ASP 314 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1kqg h ASP 314 CO 0.49 0.29 0.00 -0.90 -1.72 0.00 0.00 179.24 177.40 1kqg n ASP 315 N -3.58 0.11 -4.74 6.45 5.68 -1.26 -4.81 116.55 114.40 1kqg n ASP 315 Ca -0.01 -1.08 -0.41 0.00 -0.50 0.00 0.00 54.79 52.79 1kqg n ASP 315 Cb 0.43 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.37 1kqg n ASP 315 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1kqg s PHE 316 N -2.00 3.43 0.21 2.11 5.36 -0.82 -4.88 117.98 121.39 1kqg s PHE 316 Ca 0.45 1.44 -0.17 0.00 -0.96 0.00 0.00 56.93 57.69 1kqg s PHE 316 Cb 0.21 -3.42 0.02 0.00 -0.34 0.00 0.00 43.02 39.49 1kqg s PHE 316 CO 0.35 -1.17 0.53 0.00 -1.46 0.00 0.00 175.22 173.47 1kqg s ALA 317 N -0.11 -0.86 -0.09 11.12 0.00 -1.26 -4.99 121.76 125.57 1kqg s ALA 317 Ca 0.52 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.12 1kqg s ALA 317 Cb -0.33 0.88 0.04 0.00 0.00 0.00 0.00 23.12 23.71 1kqg s ALA 317 CO 0.37 -0.83 0.20 0.12 0.00 0.00 0.00 175.76 175.62 1kqg s PHE 318 N -3.90 -0.25 -0.22 0.00 5.36 -1.26 -0.29 117.98 117.42 1kqg s PHE 318 Ca 0.11 0.64 -0.13 0.00 -0.96 0.00 0.00 56.93 56.60 1kqg s PHE 318 Cb -0.01 -0.00 0.07 0.00 -0.34 0.00 0.00 43.02 42.73 1kqg s PHE 318 CO -0.01 -0.20 0.55 -2.00 -1.46 0.00 0.00 175.22 172.11 1kqg s GLU 319 N 1.13 0.55 -1.29 10.12 2.12 -0.45 -4.98 118.70 125.90 1kqg s GLU 319 Ca -0.08 1.00 -0.09 0.00 0.36 0.00 0.00 54.97 56.16 1kqg s GLU 319 Cb -0.10 0.06 -0.00 0.00 0.26 0.00 0.00 34.13 34.35 1kqg s GLU 319 CO -0.07 -0.15 0.60 -3.47 -0.54 0.00 0.00 175.26 171.63 1kqg n ASP 320 N 4.26 -2.41 0.00 -1.70 2.03 -1.26 -1.79 116.55 115.68 1kqg n ASP 320 Ca -0.22 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.10 1kqg n ASP 320 Cb 0.57 -3.26 0.00 0.00 -0.72 0.00 0.00 41.12 37.71 1kqg n ASP 320 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kqg n GLY 321 N -1.82 2.13 3.12 0.27 0.00 -1.26 -4.66 105.19 102.96 1kqg n GLY 321 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1kqg n GLY 321 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kqg s LEU 322 N 0.00 1.98 0.64 0.99 1.43 -0.74 -4.95 118.68 118.03 1kqg s LEU 322 Ca 0.00 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1kqg s LEU 322 Cb 0.00 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.45 1kqg s LEU 322 CO 0.00 0.17 0.93 -0.36 0.23 0.00 0.00 176.35 177.32 1kqg s PHE 323 N -0.22 2.98 0.63 0.29 0.08 -1.26 -1.34 117.98 119.14 1kqg s PHE 323 Ca 0.03 0.39 -0.18 0.00 0.12 0.00 0.00 56.93 57.29 1kqg s PHE 323 Cb -0.07 -2.98 -0.02 0.00 -0.57 0.00 0.00 43.02 39.37 1kqg s PHE 323 CO 0.00 -1.15 1.24 -1.54 -0.10 0.00 0.00 175.22 173.67 1kqg s SER 324 N -4.45 4.84 0.00 1.36 1.04 0.61 -3.77 113.70 113.33 1kqg s SER 324 Ca 0.58 2.47 0.00 0.00 0.48 0.00 0.00 55.95 59.47 1kqg s SER 324 Cb -0.11 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1kqg s SER 324 CO 0.43 -1.83 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1kqg n GLY 325 N 0.62 0.82 3.70 7.32 0.00 -1.26 -4.70 105.19 111.69 1kqg n GLY 325 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1kqg n GLY 325 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kqg s TYR 326 N -2.03 3.07 -0.52 1.61 5.04 -1.25 -0.53 117.35 122.75 1kqg s TYR 326 Ca 0.00 0.92 -0.05 0.00 -2.44 0.00 0.00 57.07 55.51 1kqg s TYR 326 Cb 0.00 -3.65 0.14 0.00 0.35 0.00 0.00 41.96 38.80 1kqg s TYR 326 CO 0.00 -2.31 0.34 0.34 -1.34 0.00 0.00 175.55 172.59 1kqg s ASP 327 N 1.48 5.40 0.63 4.32 -1.08 -0.42 -4.96 116.67 122.05 1kqg s ASP 327 Ca 0.64 -2.35 0.39 0.00 -0.52 0.00 0.00 52.55 50.70 1kqg s ASP 327 Cb -0.34 -1.89 2.10 0.00 -1.46 0.00 0.00 42.92 41.33 1kqg s ASP 327 CO 0.28 -0.51 2.18 0.00 0.52 0.00 0.00 175.17 177.65 1kqg h ALA 328 N 7.73 1.09 0.08 3.66 0.00 -1.94 0.23 119.26 130.11 1kqg h ALA 328 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1kqg h ALA 328 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1kqg h ALA 328 CO 0.74 -0.09 -1.77 0.93 0.00 0.00 0.00 179.25 179.06 1kqg h GLU 329 N 0.00 0.16 0.00 0.00 4.39 -1.94 -3.32 114.58 113.87 1kqg h GLU 329 Ca 0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1kqg h GLU 329 Cb 0.19 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1kqg h GLU 329 CO 0.00 0.93 -0.70 0.87 -1.16 0.00 0.00 179.01 178.94 1kqg h LYS 330 N 0.04 0.00 -6.06 2.33 1.57 -1.88 -3.48 116.57 109.10 1kqg h LYS 330 Ca -0.33 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.05 1kqg h LYS 330 Cb 2.02 0.00 0.07 0.00 0.08 0.00 0.00 32.23 34.40 1kqg h LYS 330 CO 0.10 0.00 -0.84 0.54 -0.57 0.00 0.00 179.45 178.69 1kqg n ARG 331 N -2.11 -4.62 -3.81 3.15 1.74 0.77 -5.01 116.66 106.79 1kqg n ARG 331 Ca 0.03 0.63 -0.10 0.00 -0.77 0.00 0.00 57.85 57.64 1kqg n ARG 331 Cb 0.44 -5.16 -0.07 0.00 -1.02 0.00 0.00 32.46 26.65 1kqg n ARG 331 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1kqg s GLN 332 N -5.89 0.85 0.10 5.56 -1.52 -1.20 -4.36 119.66 113.20 1kqg s GLN 332 Ca 0.05 -0.80 0.04 0.00 -1.95 0.00 0.00 55.36 52.71 1kqg s GLN 332 Cb -0.01 0.35 -0.04 0.00 -0.22 0.00 0.00 33.01 33.09 1kqg s GLN 332 CO 0.81 -0.28 0.04 0.71 -0.25 0.00 0.00 175.29 176.33 1kqg s TYR 333 N -3.44 3.06 -0.34 0.91 1.51 -1.26 -1.30 117.35 116.49 1kqg s TYR 333 Ca 0.01 -0.00 -0.17 0.00 -1.01 0.00 0.00 57.07 55.90 1kqg s TYR 333 Cb 0.03 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1kqg s TYR 333 CO -0.09 0.50 0.48 0.34 -1.11 0.00 0.00 175.55 175.67 1kqg s ASP 334 N -2.49 6.29 -0.10 2.29 -1.08 0.31 -4.97 116.67 116.93 1kqg s ASP 334 Ca 0.28 -0.04 0.11 0.00 -0.52 0.00 0.00 52.55 52.38 1kqg s ASP 334 Cb -0.11 -2.25 0.50 0.00 -1.46 0.00 0.00 42.92 39.60 1kqg s ASP 334 CO 0.20 -0.44 1.34 0.29 0.52 0.00 0.00 175.17 177.08 1kqg n LYS 335 N 5.66 3.07 -0.32 4.34 5.02 -1.26 -4.27 118.16 130.40 1kqg n LYS 335 Ca -0.06 -1.97 -0.00 0.00 -2.02 0.00 0.00 58.31 54.26 1kqg n LYS 335 Cb 0.49 -1.79 0.17 0.00 -0.02 0.00 0.00 35.03 33.88 1kqg n LYS 335 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1kqg h SER 336 N 2.72 1.03 1.37 4.39 0.02 -1.93 -1.13 113.55 120.02 1kqg h SER 336 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1kqg h SER 336 Cb 1.19 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1kqg h SER 336 CO 0.21 0.74 0.00 -1.54 -1.14 0.00 0.00 176.83 175.10 1kqg n SER 337 N -4.41 0.79 -3.50 3.07 3.41 -1.26 -4.20 113.62 107.52 1kqg n SER 337 Ca 0.11 0.59 -0.40 0.00 -0.26 0.00 0.00 58.87 58.91 1kqg n SER 337 Cb 0.04 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.18 1kqg n SER 337 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1kqg n TRP 338 N -2.26 2.81 -3.91 7.33 7.02 -0.43 -3.99 117.44 124.01 1kqg n TRP 338 Ca 0.05 -3.01 -0.09 0.00 -1.02 0.00 0.00 57.50 53.44 1kqg n TRP 338 Cb 0.40 -2.39 -0.05 0.00 -2.42 0.00 0.00 31.31 26.86 1kqg n TRP 338 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1kqg s ASN 339 N 2.14 -0.15 0.63 -0.99 0.01 -1.26 -2.71 114.94 112.61 1kqg s ASN 339 Ca 0.59 -0.76 -0.12 0.00 -0.71 0.00 0.00 52.86 51.86 1kqg s ASN 339 Cb 0.16 0.60 -0.03 0.00 0.41 0.00 0.00 41.25 42.39 1kqg s ASN 339 CO -0.07 -1.13 1.04 -0.31 -1.51 0.00 0.00 177.10 175.12 1kqg s TYR 340 N -3.96 3.37 0.29 2.20 2.02 -1.26 -1.24 117.35 118.76 1kqg s TYR 340 Ca 0.17 1.38 -0.28 0.00 -0.37 0.00 0.00 57.07 57.97 1kqg s TYR 340 Cb -0.01 -2.81 -0.10 0.00 -0.40 0.00 0.00 41.96 38.64 1kqg s TYR 340 CO 0.05 -0.87 0.94 -0.65 -1.57 0.00 0.00 175.55 173.45 1kqg s GLN 341 N -4.86 4.69 -0.08 -0.62 -0.21 0.19 -4.54 119.66 114.23 1kqg s GLN 341 Ca 0.57 1.39 -0.05 0.00 0.02 0.00 0.00 55.36 57.29 1kqg s GLN 341 Cb -0.12 -2.99 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 1kqg s GLN 341 CO 0.49 0.38 0.12 -0.51 -2.12 0.00 0.00 175.29 173.65 1kqg s LEU 342 N -1.70 4.23 0.00 2.90 1.43 -1.26 -1.38 118.68 122.89 1kqg s LEU 342 Ca 0.46 0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1kqg s LEU 342 Cb -0.22 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 43.86 1kqg s LEU 342 CO 0.27 0.36 0.12 -0.90 0.23 0.00 0.00 176.35 176.43 1kqg n ASP 343 N 1.72 0.05 0.22 2.29 5.68 0.47 -4.82 116.55 122.17 1kqg n ASP 343 Ca -0.17 -1.07 0.08 0.00 -0.50 0.00 0.00 54.79 53.13 1kqg n ASP 343 Cb 0.54 -0.09 0.52 0.00 -1.14 0.00 0.00 41.12 40.96 1kqg n ASP 343 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1kqg h GLU 344 N 0.00 0.00 -0.09 0.11 4.39 -2.00 -2.15 114.58 114.85 1kqg h GLU 344 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1kqg h GLU 344 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1kqg h GLU 344 CO 0.03 0.24 0.00 0.09 -1.16 0.00 0.00 179.01 178.21 1kqg n ASN 345 N -3.73 2.58 0.00 1.42 5.03 -1.26 -4.95 115.26 114.35 1kqg n ASN 345 Ca -0.01 -1.85 0.00 0.00 0.87 0.00 0.00 54.58 53.59 1kqg n ASN 345 Cb 0.35 -0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 1kqg n ASN 345 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kqg n GLY 346 N 1.31 0.77 3.91 7.41 0.00 -0.81 -5.08 105.19 112.70 1kqg n GLY 346 Ca 0.16 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1kqg n GLY 346 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kqg s TYR 347 N -2.00 3.15 0.40 1.61 2.02 -1.26 -4.80 117.35 116.47 1kqg s TYR 347 Ca 0.00 -0.16 -0.27 0.00 -0.37 0.00 0.00 57.07 56.27 1kqg s TYR 347 Cb 0.00 -1.68 -0.10 0.00 -0.40 0.00 0.00 41.96 39.79 1kqg s TYR 347 CO 0.00 0.30 1.40 0.00 -1.57 0.00 0.00 175.55 175.68 1kqg s ALA 348 N -2.15 3.40 0.35 3.71 0.00 -0.03 -0.40 121.76 126.64 1kqg s ALA 348 Ca 0.38 1.42 -0.25 0.00 0.00 0.00 0.00 51.96 53.51 1kqg s ALA 348 Cb -0.08 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 1kqg s ALA 348 CO 0.28 -0.98 0.97 0.15 0.00 0.00 0.00 175.76 176.17 1kqg s LYS 349 N -2.18 4.47 0.14 0.00 1.02 -0.48 -4.70 119.74 118.00 1kqg s LYS 349 Ca 0.55 1.35 0.06 0.00 0.02 0.00 0.00 55.97 57.95 1kqg s LYS 349 Cb -0.43 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1kqg s LYS 349 CO 0.57 0.17 -0.14 1.03 -0.92 0.00 0.00 175.35 176.06 1kqg s ARG 350 N -2.25 1.07 -0.33 1.68 0.52 -1.26 -0.97 118.95 117.41 1kqg s ARG 350 Ca 0.53 -1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 54.41 1kqg s ARG 350 Cb -0.18 -0.91 0.12 0.00 0.52 0.00 0.00 34.95 34.50 1kqg s ARG 350 CO 0.23 0.17 0.16 0.34 0.02 0.00 0.00 175.30 176.22 1kqg s ASP 351 N -2.64 3.41 0.60 0.23 2.15 0.40 -4.94 116.67 115.89 1kqg s ASP 351 Ca 0.11 -1.78 0.40 0.00 0.43 0.00 0.00 52.55 51.72 1kqg s ASP 351 Cb -0.04 -0.50 2.05 0.00 -0.30 0.00 0.00 42.92 44.14 1kqg s ASP 351 CO 0.03 -0.37 2.21 -0.33 -0.17 0.00 0.00 175.17 176.54 1kqg h GLU 352 N 7.72 0.00 0.00 4.34 3.07 -1.98 0.14 114.58 127.87 1kqg h GLU 352 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1kqg h GLU 352 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1kqg h GLU 352 CO 0.38 0.00 -0.01 1.79 -1.40 0.00 0.00 179.01 179.78 1kqg h THR 353 N 0.00 0.00 -2.44 1.13 1.35 -1.95 -3.47 112.91 107.53 1kqg h THR 353 Ca 0.00 -0.67 -0.32 0.00 -0.55 0.00 0.00 66.41 64.86 1kqg h THR 353 Cb 0.13 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1kqg h THR 353 CO 0.00 0.00 -0.42 0.18 -0.25 0.00 0.00 175.52 175.03 1kqg n LEU 354 N -2.58 -1.81 -0.02 3.87 4.77 0.50 -4.88 117.00 116.86 1kqg n LEU 354 Ca 0.05 -0.03 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 1kqg n LEU 354 Cb 0.47 -2.41 -0.11 0.00 -2.33 0.00 0.00 43.42 39.04 1kqg n LEU 354 CO 0.32 -0.14 -0.73 0.35 -1.33 0.00 0.00 177.39 175.86 1kqg n THR 355 N -4.04 0.18 -1.72 -5.08 -2.24 -1.26 -4.82 114.28 95.30 1kqg n THR 355 Ca -0.18 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1kqg n THR 355 Cb 0.64 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1kqg n THR 355 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1kqg n HIS 356 N -2.11 2.71 0.11 4.78 -0.00 -1.26 -4.88 115.22 114.57 1kqg n HIS 356 Ca -0.07 0.20 0.18 0.00 -0.00 0.00 0.00 57.72 58.03 1kqg n HIS 356 Cb 0.49 -2.61 0.74 0.00 -0.00 0.00 0.00 29.99 28.62 1kqg n HIS 356 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1kqg h PRO 357 N 5.48 0.00 -0.37 1.57 0.13 -2.00 -1.11 132.00 135.71 1kqg h PRO 357 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1kqg h PRO 357 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1kqg h PRO 357 CO 0.85 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.16 1kqg n ARG 358 N -4.11 2.14 -2.20 0.86 5.12 -1.26 -4.34 116.66 112.86 1kqg n ARG 358 Ca 0.05 -1.73 -0.34 0.00 -1.93 0.00 0.00 57.85 53.90 1kqg n ARG 358 Cb 0.46 -1.43 -0.00 0.00 -1.16 0.00 0.00 32.46 30.33 1kqg n ARG 358 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kqg h VAL 360 N 0.88 0.43 -0.46 0.00 2.07 -0.89 -0.32 116.25 117.96 1kqg h VAL 360 Ca -0.48 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.07 1kqg h VAL 360 Cb 1.23 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1kqg h VAL 360 CO 0.57 0.02 0.08 -0.25 0.02 0.00 0.00 177.57 178.02 1kqg h TRP 361 N 0.12 0.13 -0.08 1.57 2.91 -1.12 0.17 115.95 119.65 1kqg h TRP 361 Ca 0.36 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 60.26 1kqg h TRP 361 Cb 0.60 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 1kqg h TRP 361 CO -0.39 -0.01 -0.59 -0.91 -1.03 0.00 0.00 178.44 175.52 1kqg h ASN 362 N 0.21 0.30 0.00 2.65 2.35 -1.37 -2.44 115.58 117.29 1kqg h ASN 362 Ca 0.23 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1kqg h ASN 362 Cb 0.30 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1kqg h ASN 362 CO -0.31 0.82 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.81 1kqg h LEU 363 N 0.20 0.54 -0.32 1.61 3.38 -0.79 -2.24 115.31 117.70 1kqg h LEU 363 Ca -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1kqg h LEU 363 Cb 1.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1kqg h LEU 363 CO 0.09 0.89 0.16 0.25 0.09 0.00 0.00 178.44 179.93 1kqg h LEU 364 N 0.42 0.41 -0.52 1.67 5.85 -0.56 -0.68 115.31 121.90 1kqg h LEU 364 Ca 0.04 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1kqg h LEU 364 Cb 0.90 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1kqg h LEU 364 CO 0.08 0.40 0.16 0.50 -0.34 0.00 0.00 178.44 179.24 1kqg h LYS 365 N 0.39 0.32 -0.37 1.25 3.64 -1.40 -1.14 116.57 119.25 1kqg h LYS 365 Ca 0.11 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1kqg h LYS 365 Cb 0.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1kqg h LYS 365 CO -0.02 0.21 0.10 1.49 -2.27 0.00 0.00 179.45 178.97 1kqg h GLU 366 N 0.33 0.59 -0.55 1.90 4.57 -1.16 -2.19 114.58 118.08 1kqg h GLU 366 Ca 0.25 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1kqg h GLU 366 Cb 0.30 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1kqg h GLU 366 CO -0.28 0.62 0.32 1.25 -1.18 0.00 0.00 179.01 179.73 1kqg h HIS 367 N 0.46 0.59 -0.00 0.92 2.76 -0.20 -2.71 115.15 116.96 1kqg h HIS 367 Ca 0.12 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1kqg h HIS 367 Cb 0.28 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1kqg h HIS 367 CO 0.01 0.33 -0.19 1.33 -1.30 0.00 0.00 177.93 178.11 1kqg n VAL 368 N -4.80 0.00 0.25 5.26 0.24 -0.52 -4.07 118.33 114.69 1kqg n VAL 368 Ca 0.05 -0.06 0.17 0.00 -2.04 0.00 0.00 64.34 62.46 1kqg n VAL 368 Cb 0.09 0.01 0.89 0.00 -1.47 0.00 0.00 33.84 33.36 1kqg n VAL 368 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1kqg h SER 369 N 0.55 0.00 0.84 -1.34 4.64 -1.05 -0.74 113.55 116.44 1kqg h SER 369 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1kqg h SER 369 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1kqg h SER 369 CO 0.00 0.00 -0.15 0.03 -0.87 0.00 0.00 176.83 175.84 1kqg h ARG 370 N 0.00 0.00 -3.36 4.77 3.08 -1.77 -3.39 114.38 113.71 1kqg h ARG 370 Ca 0.05 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.37 1kqg h ARG 370 Cb 0.35 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.30 1kqg h ARG 370 CO -0.00 0.15 2.55 0.66 -1.07 0.00 0.00 179.97 182.26 1kqg n TYR 371 N -3.35 2.92 -1.63 3.04 4.01 -0.29 -4.84 117.16 117.03 1kqg n TYR 371 Ca -0.00 -2.87 -0.30 0.00 -0.16 0.00 0.00 57.90 54.57 1kqg n TYR 371 Cb 0.36 -2.11 0.08 0.00 -0.31 0.00 0.00 39.34 37.36 1kqg n TYR 371 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1kqg s THR 372 N 0.84 3.05 0.46 -0.72 -4.23 -1.26 -4.22 115.64 109.56 1kqg s THR 372 Ca 0.48 0.34 0.16 0.00 -1.18 0.00 0.00 61.69 61.49 1kqg s THR 372 Cb 0.13 -3.14 0.34 0.00 1.34 0.00 0.00 72.50 71.17 1kqg s THR 372 CO -0.04 -0.44 1.99 -0.65 -0.54 0.00 0.00 174.62 174.94 1kqg h PRO 373 N -1.03 0.29 -0.43 3.99 0.11 -1.93 0.13 132.00 133.13 1kqg h PRO 373 Ca -0.47 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1kqg h PRO 373 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1kqg h PRO 373 CO 0.61 0.19 -0.23 -0.44 -0.21 0.00 0.00 178.00 177.92 1kqg h ASP 374 N 0.30 0.95 -0.75 -2.05 3.32 -1.98 -0.94 116.42 115.26 1kqg h ASP 374 Ca 0.25 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 1kqg h ASP 374 Cb 0.60 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1kqg h ASP 374 CO -0.06 1.15 0.28 0.58 -1.72 0.00 0.00 179.24 179.48 1kqg h VAL 375 N 0.75 1.26 -0.08 -1.35 2.07 -1.36 0.18 116.25 117.72 1kqg h VAL 375 Ca 0.09 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1kqg h VAL 375 Cb 0.80 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1kqg h VAL 375 CO 0.07 0.34 0.05 0.58 0.02 0.00 0.00 177.57 178.62 1kqg h VAL 376 N 1.11 1.06 -0.73 2.57 2.07 -1.10 -1.19 116.25 120.04 1kqg h VAL 376 Ca 0.25 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1kqg h VAL 376 Cb 0.24 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1kqg h VAL 376 CO -0.02 0.05 0.45 -0.08 0.02 0.00 0.00 177.57 177.99 1kqg h GLU 377 N 0.07 0.99 -0.61 1.57 4.81 -0.93 0.16 114.58 120.63 1kqg h GLU 377 Ca 0.03 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1kqg h GLU 377 Cb 0.04 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1kqg h GLU 377 CO -0.01 0.69 0.05 -0.97 -0.73 0.00 0.00 179.01 178.05 1kqg h ASN 378 N 1.00 1.00 0.10 1.04 -1.24 -0.34 -1.67 115.58 115.48 1kqg h ASN 378 Ca 0.26 -0.25 -0.33 0.00 0.71 0.00 0.00 56.30 56.69 1kqg h ASN 378 Cb -0.05 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.71 1kqg h ASN 378 CO -0.05 1.02 -1.81 0.40 -1.29 0.00 0.00 177.43 175.70 1kqg h ILE 379 N 0.96 0.70 0.00 2.57 2.04 -1.06 -0.02 117.51 122.71 1kqg h ILE 379 Ca 0.18 -2.31 -0.19 0.00 1.00 0.00 0.00 64.86 63.54 1kqg h ILE 379 Cb 0.48 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 1kqg h ILE 379 CO 0.02 0.76 -1.09 0.00 0.00 0.00 0.00 178.15 177.83 1kqg n GLY 381 N 1.37 0.79 3.65 0.00 0.00 -0.63 -1.39 105.19 108.98 1kqg n GLY 381 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1kqg n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kqg s THR 382 N -3.01 4.60 0.24 2.61 2.01 -1.26 -4.55 115.64 116.29 1kqg s THR 382 Ca 0.00 1.90 -0.30 0.00 0.31 0.00 0.00 61.69 63.60 1kqg s THR 382 Cb 0.00 -4.35 -0.15 0.00 0.01 0.00 0.00 72.50 68.01 1kqg s THR 382 CO 0.00 -0.31 1.04 -2.65 -0.69 0.00 0.00 174.62 172.01 1kqg n PRO 383 N 6.56 1.23 -0.31 4.92 -0.02 -1.26 -4.02 135.00 142.10 1kqg n PRO 383 Ca 0.12 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 62.14 1kqg n PRO 383 Cb 0.46 -1.83 0.32 0.00 -0.02 0.00 0.00 33.50 32.44 1kqg n PRO 383 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1kqg h LYS 384 N 2.46 0.78 -0.57 -0.52 1.57 -1.93 -1.17 116.57 117.19 1kqg h LYS 384 Ca -0.40 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.27 1kqg h LYS 384 Cb 1.35 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1kqg h LYS 384 CO 0.64 0.52 0.11 0.00 -0.57 0.00 0.00 179.45 180.15 1kqg h ALA 385 N 1.58 0.76 -0.43 3.86 0.00 -1.99 0.47 119.26 123.51 1kqg h ALA 385 Ca 0.48 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1kqg h ALA 385 Cb 0.66 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1kqg h ALA 385 CO -0.24 0.49 0.01 -0.44 0.00 0.00 0.00 179.25 179.06 1kqg h ASP 386 N 0.84 0.74 -0.63 0.00 3.32 -1.69 -2.53 116.42 116.47 1kqg h ASP 386 Ca 0.18 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1kqg h ASP 386 Cb 0.39 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1kqg h ASP 386 CO 0.01 0.86 0.34 0.15 -1.72 0.00 0.00 179.24 178.88 1kqg h PHE 387 N 0.60 0.89 -0.39 4.55 3.57 -0.91 -1.86 116.94 123.40 1kqg h PHE 387 Ca 0.12 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1kqg h PHE 387 Cb 0.48 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1kqg h PHE 387 CO 0.04 0.63 0.08 1.25 -2.23 0.00 0.00 178.31 178.07 1kqg h LEU 388 N 0.91 0.60 -0.20 0.59 5.85 -0.83 -1.37 115.31 120.86 1kqg h LEU 388 Ca 0.23 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1kqg h LEU 388 Cb 0.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1kqg h LEU 388 CO -0.03 0.70 -0.04 0.11 -0.34 0.00 0.00 178.44 178.83 1kqg h LYS 389 N 0.48 0.01 -0.41 1.25 1.57 -0.93 -0.57 116.57 117.98 1kqg h LYS 389 Ca 0.12 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1kqg h LYS 389 Cb 0.34 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1kqg h LYS 389 CO 0.00 0.01 0.23 0.28 -0.57 0.00 0.00 179.45 179.40 1kqg h VAL 390 N 0.01 1.01 -0.47 0.50 2.07 -1.19 -2.12 116.25 116.07 1kqg h VAL 390 Ca 0.09 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1kqg h VAL 390 Cb 0.14 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1kqg h VAL 390 CO -0.19 0.08 0.30 0.00 0.02 0.00 0.00 177.57 177.78 1kqg h GLU 392 N 0.61 -0.09 -0.32 0.00 5.08 -0.91 0.08 114.58 119.03 1kqg h GLU 392 Ca 0.18 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1kqg h GLU 392 Cb -0.05 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1kqg h GLU 392 CO -0.05 0.02 0.18 0.28 -1.00 0.00 0.00 179.01 178.44 1kqg h VAL 393 N -0.17 1.02 -0.92 3.13 2.07 -1.23 -1.35 116.25 118.81 1kqg h VAL 393 Ca -0.01 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1kqg h VAL 393 Cb 0.14 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1kqg h VAL 393 CO 0.02 0.07 0.61 -0.07 0.02 0.00 0.00 177.57 178.21 1kqg h LEU 394 N 0.38 1.05 -1.64 2.57 3.38 -1.10 -1.26 115.31 118.68 1kqg h LEU 394 Ca 0.13 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1kqg h LEU 394 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1kqg h LEU 394 CO -0.07 0.75 -0.20 0.00 0.09 0.00 0.00 178.44 179.02 1kqg h ALA 395 N 1.34 1.58 0.00 1.53 0.00 -0.16 -1.12 119.26 122.43 1kqg h ALA 395 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1kqg h ALA 395 Cb -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1kqg h ALA 395 CO -0.08 0.25 0.00 0.66 0.00 0.00 0.00 179.25 180.08 1kqg h SER 396 N 0.00 0.00 -0.34 0.00 4.64 -0.15 -1.92 113.55 115.77 1kqg h SER 396 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kqg h SER 396 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1kqg h SER 396 CO 0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 1kqg n THR 397 N -3.01 1.63 0.31 2.95 -2.24 -0.42 -3.85 114.28 109.64 1kqg n THR 397 Ca -0.01 -0.82 0.12 0.00 -2.27 0.00 0.00 64.05 61.06 1kqg n THR 397 Cb 0.17 -0.36 0.15 0.00 -2.10 0.00 0.00 70.33 68.18 1kqg n THR 397 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1kqg h SER 398 N 2.37 0.00 -3.91 3.42 4.64 -1.50 -3.42 113.55 115.15 1kqg h SER 398 Ca 0.00 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.72 1kqg h SER 398 Cb 1.37 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.60 1kqg h SER 398 CO 0.29 0.02 0.53 0.00 -0.87 0.00 0.00 176.83 176.80 1kqg n ALA 399 N -2.03 1.36 -0.06 5.18 0.00 -1.25 -3.97 120.51 119.74 1kqg n ALA 399 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1kqg n ALA 399 Cb 0.50 -2.31 0.30 0.00 0.00 0.00 0.00 19.45 17.94 1kqg n ALA 399 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1kqg h PRO 400 N 1.34 0.67 -0.96 0.00 0.13 -1.86 -2.96 132.00 128.35 1kqg h PRO 400 Ca -0.50 -0.09 -0.45 0.00 -0.87 0.00 0.00 66.00 64.09 1kqg h PRO 400 Cb 1.31 -0.12 -0.27 0.00 0.13 0.00 0.00 31.00 32.05 1kqg h PRO 400 CO 0.56 0.56 0.57 -0.40 -0.23 0.00 0.00 178.00 179.06 1kqg n ASP 401 N -4.35 3.93 -3.96 1.44 5.75 -1.26 -4.25 116.55 113.86 1kqg n ASP 401 Ca 0.03 -3.48 -0.15 0.00 -0.01 0.00 0.00 54.79 51.18 1kqg n ASP 401 Cb 0.16 -0.81 -0.14 0.00 -1.03 0.00 0.00 41.12 39.29 1kqg n ASP 401 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1kqg s ARG 402 N -3.14 0.40 0.08 0.11 0.52 -1.12 -4.99 118.95 110.82 1kqg s ARG 402 Ca 0.55 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.58 1kqg s ARG 402 Cb 0.46 -0.38 -0.03 0.00 0.52 0.00 0.00 34.95 35.52 1kqg s ARG 402 CO 0.11 0.10 -0.08 0.95 0.02 0.00 0.00 175.30 176.40 1kqg s THR 403 N -0.18 0.76 0.08 0.02 -4.23 -1.26 -4.65 115.64 106.18 1kqg s THR 403 Ca 0.01 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1kqg s THR 403 Cb -0.02 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 1kqg s THR 403 CO -0.00 -0.61 -0.08 -0.89 -0.54 0.00 0.00 174.62 172.50 1kqg s THR 404 N -2.53 3.52 -0.03 3.99 2.01 -1.26 -1.55 115.64 119.80 1kqg s THR 404 Ca 0.03 -1.10 0.06 0.00 0.31 0.00 0.00 61.69 60.99 1kqg s THR 404 Cb -0.02 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 1kqg s THR 404 CO -0.01 0.19 -0.20 0.28 -0.69 0.00 0.00 174.62 174.19 1kqg s THR 405 N -1.17 1.59 -0.20 -0.82 -1.32 -0.50 -4.16 115.64 109.07 1kqg s THR 405 Ca 0.21 -0.84 -0.09 0.00 -1.21 0.00 0.00 61.69 59.76 1kqg s THR 405 Cb -0.11 -1.33 -0.05 0.00 -1.51 0.00 0.00 72.50 69.50 1kqg s THR 405 CO 0.13 0.45 0.11 -0.36 -2.21 0.00 0.00 174.62 172.74 1kqg s PHE 406 N -0.29 3.37 -0.27 9.09 0.40 -1.20 -1.36 117.98 127.71 1kqg s PHE 406 Ca 0.03 0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.61 1kqg s PHE 406 Cb -0.09 -2.14 0.03 0.00 0.51 0.00 0.00 43.02 41.33 1kqg s PHE 406 CO 0.01 0.26 -0.02 -0.51 0.70 0.00 0.00 175.22 175.65 1kqg s LEU 407 N 0.36 3.49 0.17 -0.37 1.02 0.33 -0.78 118.68 122.90 1kqg s LEU 407 Ca 0.07 -0.97 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 1kqg s LEU 407 Cb -0.11 -1.71 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 1kqg s LEU 407 CO -0.02 -0.18 0.17 -0.72 0.02 0.00 0.00 176.35 175.63 1kqg s TYR 408 N 1.33 0.80 0.00 0.29 -0.85 -0.88 -3.44 117.35 114.60 1kqg s TYR 408 Ca -0.01 -1.13 0.00 0.00 -0.52 0.00 0.00 57.07 55.41 1kqg s TYR 408 Cb -0.18 -0.35 0.00 0.00 0.38 0.00 0.00 41.96 41.81 1kqg s TYR 408 CO -0.02 -0.64 0.00 0.00 -1.52 0.00 0.00 175.55 173.36 1kqg n ALA 409 N -0.20 0.00 0.16 9.51 0.00 0.32 -0.98 120.51 129.32 1kqg n ALA 409 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1kqg n ALA 409 Cb 0.64 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.33 1kqg n ALA 409 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1kqg h LEU 410 N 0.00 0.00 -2.02 0.00 3.38 -1.91 -2.00 115.31 112.77 1kqg h LEU 410 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1kqg h LEU 410 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1kqg h LEU 410 CO 0.00 0.50 0.37 1.23 0.09 0.00 0.00 178.44 180.63 1kqg h GLY 411 N 2.07 0.00 0.21 0.83 0.00 -1.66 -1.55 103.07 102.97 1kqg h GLY 411 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.95 1kqg h GLY 411 CO 0.07 0.00 -2.30 0.79 0.00 0.00 0.00 176.54 175.10 1kqg n TRP 412 N -4.25 0.34 0.09 5.60 8.01 -1.11 -4.74 117.44 121.37 1kqg n TRP 412 Ca 0.09 0.08 -0.12 0.00 -1.31 0.00 0.00 57.50 56.24 1kqg n TRP 412 Cb 0.58 -1.05 -0.08 0.00 -2.01 0.00 0.00 31.31 28.75 1kqg n TRP 412 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 1kqg h THR 413 N 0.01 1.50 -0.38 -0.99 1.35 -0.74 -3.39 112.91 110.27 1kqg h THR 413 Ca -0.52 -2.82 -0.70 0.00 -0.55 0.00 0.00 66.41 61.82 1kqg h THR 413 Cb 2.01 2.67 -0.03 0.00 -1.73 0.00 0.00 68.15 71.08 1kqg h THR 413 CO -0.01 0.83 3.33 0.00 -0.25 0.00 0.00 175.52 179.41 1kqg n GLN 414 N -3.60 3.90 -4.14 4.72 6.02 -0.64 -4.24 117.38 119.40 1kqg n GLN 414 Ca -0.06 -2.64 -0.10 0.00 -0.01 0.00 0.00 57.00 54.19 1kqg n GLN 414 Cb 0.91 -2.79 -0.09 0.00 1.02 0.00 0.00 30.24 29.28 1kqg n GLN 414 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1kqg s HIS 415 N 1.23 0.88 -0.63 1.08 3.76 -1.25 -2.73 115.29 117.62 1kqg s HIS 415 Ca 0.63 -1.20 0.24 0.00 -0.15 0.00 0.00 55.06 54.58 1kqg s HIS 415 Cb 0.18 -0.43 0.91 0.00 1.11 0.00 0.00 32.58 34.35 1kqg s HIS 415 CO -0.07 -0.60 1.73 0.25 -0.85 0.00 0.00 174.74 175.21 1kqg n THR 416 N -0.17 0.71 -1.17 1.30 -2.24 -1.26 -1.53 114.28 109.91 1kqg n THR 416 Ca -0.03 0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 1kqg n THR 416 Cb 0.64 -0.90 0.19 0.00 -2.10 0.00 0.00 70.33 68.16 1kqg n THR 416 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1kqg n VAL 417 N -2.16 2.13 -0.31 2.28 0.24 -1.26 -2.88 118.33 116.37 1kqg n VAL 417 Ca 0.04 -2.36 -0.08 0.00 -2.04 0.00 0.00 64.34 59.90 1kqg n VAL 417 Cb 0.31 -0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 32.38 1kqg n VAL 417 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1kqg h GLY 418 N 0.77 -0.50 0.86 7.63 0.00 -1.45 -0.48 103.07 109.89 1kqg h GLY 418 Ca 0.03 0.64 0.09 0.00 0.00 0.00 0.00 47.33 48.09 1kqg h GLY 418 CO 0.11 -0.10 0.52 0.00 0.00 0.00 0.00 176.54 177.07 1kqg h ALA 419 N 0.71 1.75 -0.01 3.60 0.00 -1.82 -1.44 119.26 122.05 1kqg h ALA 419 Ca 0.20 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 1kqg h ALA 419 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1kqg h ALA 419 CO -0.83 0.10 -0.76 1.96 0.00 0.00 0.00 179.25 179.71 1kqg h GLN 420 N 0.74 0.08 -0.35 0.00 1.08 -1.50 -1.23 115.11 113.93 1kqg h GLN 420 Ca 0.36 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.55 1kqg h GLN 420 Cb 0.42 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.81 1kqg h GLN 420 CO -0.14 0.80 0.02 -0.91 -0.95 0.00 0.00 178.83 177.66 1kqg h ASN 421 N 0.05 -0.09 -0.53 1.46 2.35 -0.06 -2.02 115.58 116.73 1kqg h ASN 421 Ca -0.02 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1kqg h ASN 421 Cb 1.35 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.82 1kqg h ASN 421 CO 0.11 -0.01 -0.10 0.40 -1.65 0.00 0.00 177.43 176.17 1kqg h ILE 422 N 0.13 1.27 -0.84 2.81 2.04 -1.29 -2.47 117.51 119.15 1kqg h ILE 422 Ca 0.17 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.83 1kqg h ILE 422 Cb 0.22 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1kqg h ILE 422 CO -0.26 0.44 0.52 0.03 0.00 0.00 0.00 178.15 178.88 1kqg h ARG 423 N 0.91 0.91 -0.67 2.37 2.47 -0.90 -1.06 114.38 118.41 1kqg h ARG 423 Ca 0.14 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 1kqg h ARG 423 Cb 0.67 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 1kqg h ARG 423 CO 0.05 0.60 0.24 1.15 0.56 0.00 0.00 179.97 182.57 1kqg h THR 424 N 0.94 1.25 -0.44 2.04 2.02 -0.91 -1.06 112.91 116.75 1kqg h THR 424 Ca 0.37 -0.81 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 1kqg h THR 424 Cb 0.17 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1kqg h THR 424 CO -0.17 0.32 -0.14 -0.03 0.37 0.00 0.00 175.52 175.86 1kqg h MET 425 N 0.96 0.87 -0.86 6.66 1.85 -1.12 -2.14 114.93 121.14 1kqg h MET 425 Ca 0.22 -0.35 0.03 0.00 -0.61 0.00 0.00 59.70 58.99 1kqg h MET 425 Cb 0.25 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.19 1kqg h MET 425 CO -0.01 0.99 0.56 0.00 -0.40 0.00 0.00 176.91 178.04 1kqg h ALA 426 N 0.85 1.13 -0.69 0.39 0.00 -1.02 -0.72 119.26 119.21 1kqg h ALA 426 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1kqg h ALA 426 Cb 0.69 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1kqg h ALA 426 CO 0.05 0.41 0.32 0.52 0.00 0.00 0.00 179.25 180.55 1kqg h MET 427 N 1.09 0.99 -0.53 0.00 2.86 -0.96 -2.20 114.93 116.18 1kqg h MET 427 Ca 0.34 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 1kqg h MET 427 Cb -0.01 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.42 1kqg h MET 427 CO -0.11 0.79 0.24 0.82 1.06 0.00 0.00 176.91 179.71 1kqg h ILE 428 N 0.96 0.90 -0.09 -1.22 2.04 -0.50 -0.77 117.51 118.84 1kqg h ILE 428 Ca 0.23 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 1kqg h ILE 428 Cb 0.13 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1kqg h ILE 428 CO -0.03 0.08 -0.15 1.56 0.00 0.00 0.00 178.15 179.62 1kqg h GLN 429 N 0.46 0.13 -0.10 2.37 1.08 -0.98 -1.18 115.11 116.89 1kqg h GLN 429 Ca 0.24 -0.03 -0.23 0.00 -1.45 0.00 0.00 58.65 57.19 1kqg h GLN 429 Cb 0.20 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1kqg h GLN 429 CO -0.20 0.29 -0.84 -0.07 -0.95 0.00 0.00 178.83 177.06 1kqg h LEU 430 N 0.13 0.85 -0.64 1.46 3.38 -0.67 -2.15 115.31 117.67 1kqg h LEU 430 Ca 0.03 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1kqg h LEU 430 Cb 0.35 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1kqg h LEU 430 CO 0.02 1.39 0.26 -0.07 0.09 0.00 0.00 178.44 180.13 1kqg h LEU 431 N 0.46 0.87 0.00 1.67 4.07 -0.60 -2.68 115.31 119.10 1kqg h LEU 431 Ca -0.07 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1kqg h LEU 431 Cb 1.47 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1kqg h LEU 431 CO 0.17 0.80 0.00 0.18 -1.08 0.00 0.00 178.44 178.51 1kqg n LEU 432 N -4.44 0.00 -2.74 1.67 4.77 -0.50 -1.25 117.00 114.52 1kqg n LEU 432 Ca 0.04 0.47 -0.18 0.00 -0.03 0.00 0.00 56.01 56.32 1kqg n LEU 432 Cb 0.16 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1kqg n LEU 432 CO 0.39 -0.18 0.15 0.61 -1.33 0.00 0.00 177.39 177.02 1kqg n GLY 433 N 0.33 -0.20 0.53 -0.72 0.00 -1.01 -4.50 105.19 99.62 1kqg n GLY 433 Ca 0.05 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1kqg n GLY 433 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kqg n ASN 434 N -1.83 2.07 -4.77 1.61 3.02 -0.83 -4.89 115.26 109.64 1kqg n ASN 434 Ca -0.01 -1.54 -0.38 0.00 -0.03 0.00 0.00 54.58 52.62 1kqg n ASN 434 Cb 0.56 0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 40.07 1kqg n ASN 434 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1kqg s MET 435 N -2.25 4.66 0.00 3.52 -1.94 -1.25 -1.06 119.30 120.97 1kqg s MET 435 Ca 0.18 1.36 0.00 0.00 -1.71 0.00 0.00 55.69 55.53 1kqg s MET 435 Cb 0.17 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 34.06 1kqg s MET 435 CO 0.49 0.36 0.00 0.41 -0.01 0.00 0.00 175.02 176.26 1kqg n GLY 436 N 0.84 1.45 3.90 -0.03 0.00 -1.26 -4.52 105.19 105.58 1kqg n GLY 436 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1kqg n GLY 436 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kqg s MET 437 N -0.19 3.61 0.03 1.61 1.00 -1.22 -3.83 119.30 120.31 1kqg s MET 437 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 55.69 55.28 1kqg s MET 437 Cb 0.00 -2.85 -0.06 0.00 0.00 0.00 0.00 34.83 31.92 1kqg s MET 437 CO 0.00 0.47 1.36 0.00 0.00 0.00 0.00 175.02 176.85 1kqg s ALA 438 N -1.66 3.56 0.00 3.03 0.00 -1.26 -1.54 121.76 123.89 1kqg s ALA 438 Ca 0.41 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1kqg s ALA 438 Cb -0.12 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1kqg s ALA 438 CO 0.25 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1kqg n GLY 439 N 3.55 0.76 0.00 0.00 0.00 -1.23 -4.79 105.19 103.49 1kqg n GLY 439 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1kqg n GLY 439 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kqg n GLY 440 N -2.25 4.37 6.09 -0.02 0.00 -0.59 -3.89 105.19 108.89 1kqg n GLY 440 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.84 1kqg n GLY 440 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kqg n GLY 441 N 5.00 -1.64 3.11 -0.02 0.00 -0.22 -4.59 105.19 106.83 1kqg n GLY 441 Ca 0.00 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1kqg n GLY 441 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kqg s VAL 442 N -0.23 3.06 -1.11 1.61 1.01 -1.26 -3.27 120.40 120.22 1kqg s VAL 442 Ca 0.00 -1.97 -0.15 0.00 0.00 0.00 0.00 61.98 59.86 1kqg s VAL 442 Cb 0.00 -3.06 0.17 0.00 0.00 0.00 0.00 36.38 33.49 1kqg s VAL 442 CO 0.00 -0.56 1.30 0.20 0.00 0.00 0.00 175.10 176.04 1kqg s ASN 443 N 1.56 6.96 -0.75 3.32 0.01 0.04 -1.87 114.94 124.21 1kqg s ASN 443 Ca 0.06 -2.78 -0.26 0.00 -0.71 0.00 0.00 52.86 49.17 1kqg s ASN 443 Cb -0.22 -2.38 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1kqg s ASN 443 CO -0.04 -0.79 1.66 0.00 -1.51 0.00 0.00 177.10 176.41 1kqg s ALA 444 N 1.60 2.32 -0.38 0.60 0.00 -1.26 -2.07 121.76 122.56 1kqg s ALA 444 Ca 0.38 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 1kqg s ALA 444 Cb -0.04 -4.37 0.01 0.00 0.00 0.00 0.00 23.12 18.72 1kqg s ALA 444 CO -0.03 -3.85 1.42 -0.51 0.00 0.00 0.00 175.76 172.78 1kqg s LEU 445 N 7.77 3.64 0.99 0.00 1.43 -0.15 -4.43 118.68 127.93 1kqg s LEU 445 Ca 0.56 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1kqg s LEU 445 Cb -0.09 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.78 1kqg s LEU 445 CO 0.11 -1.38 1.09 -0.13 0.23 0.00 0.00 176.35 176.27 1kqg s ARG 446 N 4.84 0.45 0.00 1.70 3.00 -1.26 -4.69 118.95 123.00 1kqg s ARG 446 Ca 0.62 1.13 0.00 0.00 0.00 0.00 0.00 55.73 57.48 1kqg s ARG 446 Cb -0.15 -1.69 0.00 0.00 0.00 0.00 0.00 34.95 33.11 1kqg s ARG 446 CO 0.31 -2.88 0.00 0.41 0.00 0.00 0.00 175.30 173.14 1kqg n GLY 447 N 0.06 0.34 3.52 -3.53 0.00 -1.26 -4.05 105.19 100.28 1kqg n GLY 447 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1kqg n GLY 447 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1kqg n HIS 448 N 0.00 -0.23 -0.32 1.61 8.25 -1.26 -0.34 115.22 122.92 1kqg n HIS 448 Ca 0.00 0.36 0.11 0.00 -0.26 0.00 0.00 57.72 57.94 1kqg n HIS 448 Cb 0.00 -1.97 0.29 0.00 1.12 0.00 0.00 29.99 29.42 1kqg n HIS 448 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1kqg h SER 449 N -0.41 0.61 0.00 0.41 4.64 -1.18 -2.23 113.55 115.39 1kqg h SER 449 Ca -0.46 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 1kqg h SER 449 Cb 1.34 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 63.31 1kqg h SER 449 CO 0.44 0.20 -0.67 -3.20 -0.87 0.00 0.00 176.83 172.72 1kqg n ASN 450 N -4.86 1.47 0.09 4.97 5.15 -0.23 -4.30 115.26 117.55 1kqg n ASN 450 Ca 0.21 -3.26 0.00 0.00 -0.60 0.00 0.00 54.58 50.93 1kqg n ASN 450 Cb 0.55 -0.45 0.30 0.00 -0.53 0.00 0.00 39.78 39.65 1kqg n ASN 450 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1kqg h ILE 451 N 2.99 1.24 -0.56 -1.44 2.10 -1.35 -1.44 117.51 119.06 1kqg h ILE 451 Ca -0.08 -1.11 -0.08 0.00 1.08 0.00 0.00 64.86 64.68 1kqg h ILE 451 Cb 1.30 1.38 -0.02 0.00 -1.09 0.00 0.00 36.82 38.39 1kqg h ILE 451 CO 0.03 0.34 0.04 -0.61 -1.08 0.00 0.00 178.15 176.87 1kqg h GLN 452 N 0.25 0.96 -0.54 2.19 5.75 -1.79 -0.59 115.11 121.34 1kqg h GLN 452 Ca 0.04 -0.29 -0.12 0.00 -0.15 0.00 0.00 58.65 58.14 1kqg h GLN 452 Cb 0.56 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1kqg h GLN 452 CO 0.04 0.95 -0.11 0.78 -2.65 0.00 0.00 178.83 177.83 1kqg h GLY 453 N 0.85 1.12 1.96 2.39 0.00 -1.65 -1.02 103.07 106.72 1kqg h GLY 453 Ca 0.16 -0.91 -0.10 0.00 0.00 0.00 0.00 47.33 46.48 1kqg h GLY 453 CO 0.02 0.83 -0.45 1.41 0.00 0.00 0.00 176.54 178.35 1kqg h LEU 454 N 0.91 0.05 -0.28 3.11 4.07 -1.01 0.11 115.31 122.27 1kqg h LEU 454 Ca 0.14 -0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 1kqg h LEU 454 Cb 0.69 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1kqg h LEU 454 CO 0.05 0.50 -0.22 0.74 -1.08 0.00 0.00 178.44 178.42 1kqg h THR 455 N 0.04 1.30 -0.89 0.22 2.02 -1.01 -1.66 112.91 112.92 1kqg h THR 455 Ca -0.00 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 65.82 1kqg h THR 455 Cb 0.82 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 1kqg h THR 455 CO 0.06 0.43 0.59 0.44 0.37 0.00 0.00 175.52 177.42 1kqg h ASP 456 N 0.37 1.02 -0.00 4.18 3.32 -0.67 -1.75 116.42 122.89 1kqg h ASP 456 Ca 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1kqg h ASP 456 Cb 0.77 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1kqg h ASP 456 CO 0.06 0.73 0.00 0.18 -1.72 0.00 0.00 179.24 178.49 1kqg n LEU 457 N -4.40 0.05 -2.03 1.55 4.77 0.32 -0.92 117.00 116.34 1kqg n LEU 457 Ca 0.10 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1kqg n LEU 457 Cb 0.03 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1kqg n LEU 457 CO 0.36 0.01 0.07 0.61 -1.33 0.00 0.00 177.39 177.12 1kqg n GLY 458 N 0.94 0.06 2.44 -0.72 0.00 -0.66 -2.97 105.19 104.29 1kqg n GLY 458 Ca 0.21 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1kqg n GLY 458 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kqg n LEU 459 N -2.72 8.23 -4.00 0.99 7.99 -0.66 -4.07 117.00 122.76 1kqg n LEU 459 Ca -0.03 -4.69 -0.16 0.00 -0.01 0.00 0.00 56.01 51.12 1kqg n LEU 459 Cb 0.55 -1.44 -0.14 0.00 -0.11 0.00 0.00 43.42 42.29 1kqg n LEU 459 CO 0.32 2.03 -0.41 -0.76 -1.51 0.00 0.00 177.39 177.05 1kqg s LEU 460 N -1.21 2.07 0.01 2.23 1.43 -1.24 -1.52 118.68 120.45 1kqg s LEU 460 Ca 0.59 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1kqg s LEU 460 Cb 0.18 -0.29 -0.01 0.00 0.03 0.00 0.00 46.19 46.10 1kqg s LEU 460 CO -0.08 0.01 0.39 -0.24 0.23 0.00 0.00 176.35 176.66 1kqg n SER 461 N 2.56 -0.08 -1.41 2.29 2.88 0.56 -1.67 113.62 118.75 1kqg n SER 461 Ca -0.15 0.41 0.10 0.00 -1.33 0.00 0.00 58.87 57.90 1kqg n SER 461 Cb 0.57 -0.16 0.32 0.00 -0.75 0.00 0.00 64.21 64.20 1kqg n SER 461 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kqg n THR 462 N -2.79 1.36 -2.79 2.46 -2.24 -1.26 -4.77 114.28 104.25 1kqg n THR 462 Ca 0.00 -1.02 -0.28 0.00 -2.27 0.00 0.00 64.05 60.48 1kqg n THR 462 Cb 0.02 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1kqg n THR 462 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1kqg s SER 463 N -0.92 6.33 0.26 3.42 0.01 -0.67 -0.62 113.70 121.51 1kqg s SER 463 Ca 0.47 0.92 0.05 0.00 1.31 0.00 0.00 55.95 58.70 1kqg s SER 463 Cb 0.28 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 64.21 1kqg s SER 463 CO 0.27 -0.49 -0.02 -0.76 0.41 0.00 0.00 173.24 172.65 1kqg s LEU 464 N -4.43 2.31 0.65 2.44 1.43 -0.50 -4.59 118.68 116.00 1kqg s LEU 464 Ca 0.47 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.17 1kqg s LEU 464 Cb -0.10 -0.43 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 1kqg s LEU 464 CO 0.40 -0.45 1.18 -2.65 0.23 0.00 0.00 176.35 175.06 1kqg n PRO 465 N -0.52 0.98 -2.36 1.29 -0.02 -1.16 -3.27 135.00 129.95 1kqg n PRO 465 Ca -0.05 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1kqg n PRO 465 Cb 0.64 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1kqg n PRO 465 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kqg n GLY 466 N 1.03 -0.01 2.53 -1.23 0.00 -0.10 -3.25 105.19 104.17 1kqg n GLY 466 Ca 0.15 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1kqg n GLY 466 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1kqg n TYR 467 N -3.96 -0.04 -2.20 1.61 4.01 -1.24 -4.87 117.16 110.48 1kqg n TYR 467 Ca -0.10 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.36 1kqg n TYR 467 Cb 0.58 -3.17 0.04 0.00 -0.31 0.00 0.00 39.34 36.48 1kqg n TYR 467 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1kqg s LEU 468 N -4.27 3.07 -0.02 7.72 1.43 -1.20 -4.94 118.68 120.47 1kqg s LEU 468 Ca 0.00 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.00 1kqg s LEU 468 Cb 0.00 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 1kqg s LEU 468 CO 0.00 -1.22 -0.21 -0.89 0.23 0.00 0.00 176.35 174.26 1kqg s THR 469 N -3.15 1.65 0.78 5.49 2.01 -1.26 -1.41 115.64 119.74 1kqg s THR 469 Ca 0.56 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 1kqg s THR 469 Cb -0.11 -1.37 0.07 0.00 0.01 0.00 0.00 72.50 71.09 1kqg s THR 469 CO 0.47 0.47 1.21 -0.76 -0.69 0.00 0.00 174.62 175.32 1kqg s LEU 470 N -0.40 3.21 0.36 4.42 1.43 0.21 -4.81 118.68 123.11 1kqg s LEU 470 Ca 0.06 2.38 -0.27 0.00 -1.03 0.00 0.00 54.13 55.27 1kqg s LEU 470 Cb -0.09 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.45 1kqg s LEU 470 CO -0.00 -2.52 1.25 -2.84 0.23 0.00 0.00 176.35 172.47 1kqg s PRO 471 N -4.03 4.22 0.68 1.29 0.02 -1.26 -4.88 135.00 131.04 1kqg s PRO 471 Ca 0.74 2.07 -0.11 0.00 0.02 0.00 0.00 61.00 63.72 1kqg s PRO 471 Cb -0.29 -2.91 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1kqg s PRO 471 CO 0.48 -0.25 1.06 -1.54 -0.33 0.00 0.00 177.00 176.43 1kqg s SER 472 N -0.74 5.54 0.00 2.53 1.04 -1.26 -2.16 113.70 118.64 1kqg s SER 472 Ca 0.52 1.10 0.26 0.00 0.48 0.00 0.00 55.95 58.31 1kqg s SER 472 Cb -0.36 -1.95 1.16 0.00 0.10 0.00 0.00 66.02 64.97 1kqg s SER 472 CO 0.47 -1.26 1.84 -1.84 0.98 0.00 0.00 173.24 173.43 1kqg n GLU 473 N -2.92 0.12 0.20 4.02 0.28 0.29 -1.71 120.64 120.91 1kqg n GLU 473 Ca 0.06 0.05 0.13 0.00 -0.16 0.00 0.00 57.16 57.25 1kqg n GLU 473 Cb 0.57 -1.50 0.30 0.00 1.43 0.00 0.00 31.44 32.24 1kqg n GLU 473 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1kqg h LYS 474 N 0.00 0.00 -5.42 3.44 1.57 -1.93 -3.42 116.57 110.81 1kqg h LYS 474 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1kqg h LYS 474 Cb 0.38 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.54 1kqg h LYS 474 CO 0.00 0.00 1.08 -0.65 -0.57 0.00 0.00 179.45 179.31 1kqg s GLN 475 N -3.25 3.60 0.22 3.15 -0.21 -0.69 -4.85 119.66 117.62 1kqg s GLN 475 Ca 0.07 -1.53 0.26 0.00 0.02 0.00 0.00 55.36 54.17 1kqg s GLN 475 Cb 0.07 -5.08 0.85 0.00 1.00 0.00 0.00 33.01 29.86 1kqg s GLN 475 CO 0.63 -1.93 1.76 1.33 -2.12 0.00 0.00 175.29 174.96 1kqg n VAL 476 N 6.00 0.65 -4.07 1.09 0.24 -1.26 -4.82 118.33 116.14 1kqg n VAL 476 Ca 0.27 -0.17 -0.10 0.00 -2.04 0.00 0.00 64.34 62.30 1kqg n VAL 476 Cb 0.50 -0.71 -0.08 0.00 -1.47 0.00 0.00 33.84 32.08 1kqg n VAL 476 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1kqg s ASP 477 N -4.47 0.04 0.25 -1.34 1.47 -1.26 -4.99 116.67 106.36 1kqg s ASP 477 Ca 0.09 -1.10 -0.04 0.00 1.18 0.00 0.00 52.55 52.68 1kqg s ASP 477 Cb 0.12 0.47 0.49 0.00 -0.34 0.00 0.00 42.92 43.65 1kqg s ASP 477 CO 0.55 -0.96 1.71 0.25 0.68 0.00 0.00 175.17 177.40 1kqg h LEU 478 N 2.48 0.18 -0.84 2.11 5.85 -1.93 -1.12 115.31 122.03 1kqg h LEU 478 Ca -0.31 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1kqg h LEU 478 Cb 1.24 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 1kqg h LEU 478 CO 0.46 0.04 0.47 -0.61 -0.34 0.00 0.00 178.44 178.46 1kqg h GLN 479 N 0.37 1.16 -0.37 1.25 4.15 -1.99 0.10 115.11 119.79 1kqg h GLN 479 Ca 0.43 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 1kqg h GLN 479 Cb 0.71 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1kqg h GLN 479 CO -0.46 0.85 0.19 1.03 -1.93 0.00 0.00 178.83 178.51 1kqg h SER 480 N 1.17 0.47 -0.57 -0.69 0.87 -1.65 -1.76 113.55 111.39 1kqg h SER 480 Ca 0.30 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1kqg h SER 480 Cb 0.01 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1kqg h SER 480 CO -0.05 0.44 0.36 0.22 -0.53 0.00 0.00 176.83 177.28 1kqg h TYR 481 N 0.47 0.73 -0.38 2.24 3.20 -0.61 -0.84 116.97 121.78 1kqg h TYR 481 Ca 0.13 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.86 1kqg h TYR 481 Cb 0.09 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1kqg h TYR 481 CO -0.02 0.48 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.55 1kqg h LEU 482 N 0.77 0.97 -0.60 2.82 3.38 -0.74 -2.55 115.31 119.35 1kqg h LEU 482 Ca 0.21 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1kqg h LEU 482 Cb -0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1kqg h LEU 482 CO -0.04 1.23 0.27 -0.33 0.09 0.00 0.00 178.44 179.65 1kqg h GLU 483 N 0.72 0.89 -0.15 1.13 5.08 -1.02 0.47 114.58 121.70 1kqg h GLU 483 Ca 0.06 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1kqg h GLU 483 Cb 0.95 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1kqg h GLU 483 CO 0.09 0.74 -0.05 0.00 -1.00 0.00 0.00 179.01 178.79 1kqg h ALA 484 N 1.11 1.64 -0.02 3.43 0.00 -0.97 -3.09 119.26 121.35 1kqg h ALA 484 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1kqg h ALA 484 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1kqg h ALA 484 CO -0.02 0.27 -0.20 0.09 0.00 0.00 0.00 179.25 179.38 1kqg n ASN 485 N -4.36 2.55 -4.17 0.00 3.02 -0.73 -4.82 115.26 106.75 1kqg n ASN 485 Ca -0.01 -1.78 -0.39 0.00 -0.03 0.00 0.00 54.58 52.38 1kqg n ASN 485 Cb 0.20 0.20 -0.10 0.00 -0.61 0.00 0.00 39.78 39.48 1kqg n ASN 485 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1kqg s THR 486 N -2.21 3.82 0.33 3.41 2.01 0.08 -4.90 115.64 118.18 1kqg s THR 486 Ca 0.24 -1.99 -0.28 0.00 0.31 0.00 0.00 61.69 59.97 1kqg s THR 486 Cb 0.19 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1kqg s THR 486 CO 0.42 -0.75 1.14 -2.16 -0.69 0.00 0.00 174.62 172.58 1kqg s PRO 487 N 1.15 4.40 0.23 4.92 0.04 -1.26 -4.89 135.00 139.59 1kqg s PRO 487 Ca 0.08 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 1kqg s PRO 487 Cb -0.24 -2.97 -0.08 0.00 0.04 0.00 0.00 34.50 31.25 1kqg s PRO 487 CO -0.03 -0.02 0.62 -1.59 0.04 0.00 0.00 177.00 176.03 1kqg s LYS 488 N -1.82 3.97 0.39 4.56 -2.85 -1.26 -4.56 119.74 118.17 1kqg s LYS 488 Ca 0.50 0.52 -0.27 0.00 -1.00 0.00 0.00 55.97 55.72 1kqg s LYS 488 Cb -0.32 -2.71 -0.09 0.00 -2.06 0.00 0.00 37.83 32.65 1kqg s LYS 488 CO 0.41 0.33 1.33 0.00 0.10 0.00 0.00 175.35 177.52 1kqg s ALA 489 N -1.71 3.32 -1.12 0.59 0.00 -1.26 -4.89 121.76 116.69 1kqg s ALA 489 Ca 0.46 1.28 0.11 0.00 0.00 0.00 0.00 51.96 53.80 1kqg s ALA 489 Cb -0.13 -3.50 0.19 0.00 0.00 0.00 0.00 23.12 19.68 1kqg s ALA 489 CO 0.20 -0.84 1.05 0.25 0.00 0.00 0.00 175.76 176.42 1kqg n THR 490 N 0.24 0.51 -3.80 0.00 -2.24 -0.45 -4.93 114.28 103.61 1kqg n THR 490 Ca 0.03 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.94 1kqg n THR 490 Cb 0.43 0.86 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1kqg n THR 490 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kqg s LEU 491 N -0.95 1.11 0.63 3.22 1.43 -1.24 -0.85 118.68 122.02 1kqg s LEU 491 Ca 0.18 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 1kqg s LEU 491 Cb 0.10 1.09 -0.03 0.00 0.03 0.00 0.00 46.19 47.39 1kqg s LEU 491 CO 0.14 -0.48 1.04 0.00 0.23 0.00 0.00 176.35 177.29 1kqg s ALA 492 N -1.76 2.83 -1.16 4.21 0.00 -1.26 -4.18 121.76 120.44 1kqg s ALA 492 Ca -0.11 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 1kqg s ALA 492 Cb -0.04 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1kqg s ALA 492 CO 0.01 -0.86 0.73 -0.25 0.00 0.00 0.00 175.76 175.39 1kqg n ASP 493 N -2.51 -5.37 -4.70 0.00 8.00 -1.26 -4.81 116.55 105.90 1kqg n ASP 493 Ca 0.07 -0.33 -0.26 0.00 0.71 0.00 0.00 54.79 54.98 1kqg n ASP 493 Cb 0.53 -4.08 -0.07 0.00 -0.02 0.00 0.00 41.12 37.48 1kqg n ASP 493 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1kqg s GLN 494 N -5.77 2.52 0.07 -1.24 -1.52 -1.26 -3.49 119.66 108.98 1kqg s GLN 494 Ca 0.36 -1.10 -0.19 0.00 -1.95 0.00 0.00 55.36 52.49 1kqg s GLN 494 Cb -0.16 -2.40 -0.10 0.00 -0.22 0.00 0.00 33.01 30.13 1kqg s GLN 494 CO 0.45 0.45 1.45 0.28 -0.25 0.00 0.00 175.29 177.66 1kqg h VAL 495 N 2.24 1.29 -6.91 1.09 2.07 -1.87 -3.47 116.25 110.69 1kqg h VAL 495 Ca -0.47 -1.11 -0.59 0.00 0.82 0.00 0.00 66.70 65.35 1kqg h VAL 495 Cb 1.21 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1kqg h VAL 495 CO 0.59 0.34 -1.02 -3.20 0.02 0.00 0.00 177.57 174.31 1kqg n ASN 496 N -4.55 -4.23 0.30 0.57 5.15 -1.15 -4.80 115.26 106.55 1kqg n ASN 496 Ca -0.04 -1.27 0.17 0.00 -0.60 0.00 0.00 54.58 52.83 1kqg n ASN 496 Cb 0.31 -1.71 0.92 0.00 -0.53 0.00 0.00 39.78 38.78 1kqg n ASN 496 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1kqg h TYR 497 N -2.47 0.00 0.00 1.20 3.20 -1.66 -1.95 116.97 115.29 1kqg h TYR 497 Ca -0.71 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.16 1kqg h TYR 497 Cb 1.41 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.68 1kqg h TYR 497 CO 0.36 0.04 0.00 0.91 -1.64 0.00 0.00 178.16 177.83 1kqg n TRP 498 N -3.51 0.00 0.31 -3.82 7.02 -1.26 -1.37 117.44 114.81 1kqg n TRP 498 Ca -0.02 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.66 1kqg n TRP 498 Cb 0.15 -0.20 1.02 0.00 -2.42 0.00 0.00 31.31 29.86 1kqg n TRP 498 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1kqg h SER 499 N 0.00 0.00 -0.12 -0.99 4.64 -1.59 -0.93 113.55 114.56 1kqg h SER 499 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kqg h SER 499 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1kqg h SER 499 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1kqg n ASN 500 N -2.97 0.80 -0.29 4.97 3.02 -0.47 -4.59 115.26 115.72 1kqg n ASN 500 Ca -0.02 -1.77 0.11 0.00 -0.03 0.00 0.00 54.58 52.88 1kqg n ASN 500 Cb 0.12 -0.08 0.26 0.00 -0.61 0.00 0.00 39.78 39.48 1kqg n ASN 500 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1kqg h TYR 501 N 0.96 0.18 0.00 3.10 5.03 -1.39 0.56 116.97 125.42 1kqg h TYR 501 Ca 0.00 0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 1kqg h TYR 501 Cb 0.21 0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.55 1kqg h TYR 501 CO 0.08 -0.26 -0.12 -1.35 -1.32 0.00 0.00 178.16 175.19 1kqg h PRO 502 N 0.14 0.00 -0.34 1.82 0.11 -1.86 -0.74 132.00 131.13 1kqg h PRO 502 Ca 0.53 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.50 1kqg h PRO 502 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1kqg h PRO 502 CO -0.70 0.12 -0.31 0.87 -0.21 0.00 0.00 178.00 177.76 1kqg h LYS 503 N 0.00 0.82 -0.54 1.05 1.57 -1.14 -1.37 116.57 116.95 1kqg h LYS 503 Ca -0.00 -0.42 -0.10 0.00 -1.87 0.00 0.00 60.65 58.26 1kqg h LYS 503 Cb 0.23 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1kqg h LYS 503 CO 0.02 1.05 -0.06 0.74 -0.57 0.00 0.00 179.45 180.63 1kqg h PHE 504 N 0.60 1.11 0.01 -1.35 0.04 -1.28 -1.84 116.94 114.23 1kqg h PHE 504 Ca 0.06 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 1kqg h PHE 504 Cb 0.89 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1kqg h PHE 504 CO 0.07 1.02 -0.00 0.35 -0.60 0.00 0.00 178.31 179.14 1kqg h PHE 505 N 0.88 -0.01 -0.49 -0.55 3.57 -1.11 -1.00 116.94 118.23 1kqg h PHE 505 Ca 0.15 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1kqg h PHE 505 Cb 0.62 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1kqg h PHE 505 CO 0.04 0.37 0.06 0.28 -2.23 0.00 0.00 178.31 176.83 1kqg h VAL 506 N -0.39 1.23 -0.84 1.41 2.07 -1.28 -1.44 116.25 117.01 1kqg h VAL 506 Ca -0.00 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1kqg h VAL 506 Cb 0.38 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1kqg h VAL 506 CO 0.00 0.32 0.41 0.28 0.02 0.00 0.00 177.57 178.60 1kqg h SER 507 N 0.73 1.10 -0.38 0.57 0.02 -1.19 -1.16 113.55 113.24 1kqg h SER 507 Ca 0.15 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1kqg h SER 507 Cb 0.36 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1kqg h SER 507 CO 0.01 0.92 0.21 0.25 -1.14 0.00 0.00 176.83 177.08 1kqg h LEU 508 N 1.20 0.47 -1.14 5.07 5.85 -0.26 -0.87 115.31 125.64 1kqg h LEU 508 Ca 0.29 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1kqg h LEU 508 Cb 0.11 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1kqg h LEU 508 CO -0.04 0.42 0.28 0.24 -0.34 0.00 0.00 178.44 179.00 1kqg h MET 509 N 0.49 0.88 -0.41 1.25 2.86 -0.97 -0.22 114.93 118.82 1kqg h MET 509 Ca 0.13 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1kqg h MET 509 Cb 0.05 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1kqg h MET 509 CO -0.02 0.70 -0.10 0.87 1.06 0.00 0.00 176.91 179.41 1kqg h LYS 510 N 0.88 0.72 -0.22 1.72 1.79 -0.79 0.21 116.57 120.88 1kqg h LYS 510 Ca 0.21 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1kqg h LYS 510 Cb 0.12 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1kqg h LYS 510 CO -0.03 0.80 0.03 1.03 -1.08 0.00 0.00 179.45 180.21 1kqg h SER 511 N 0.65 0.35 -0.11 0.86 0.87 -0.20 0.14 113.55 116.12 1kqg h SER 511 Ca 0.11 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1kqg h SER 511 Cb 0.56 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1kqg h SER 511 CO 0.03 0.53 -0.04 -0.26 -0.53 0.00 0.00 176.83 176.57 1kqg h PHE 512 N 0.16 0.24 0.00 2.24 0.04 -0.90 -3.38 116.94 115.34 1kqg h PHE 512 Ca 0.07 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1kqg h PHE 512 Cb 0.33 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1kqg h PHE 512 CO 0.02 0.54 -0.47 0.66 -0.60 0.00 0.00 178.31 178.46 1kqg n TYR 513 N -4.74 0.00 0.00 -0.55 4.01 0.05 -0.30 117.16 115.63 1kqg n TYR 513 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1kqg n TYR 513 Cb 0.26 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 1kqg n TYR 513 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kqg n GLY 514 N 1.24 3.42 0.30 2.72 0.00 0.50 -1.85 105.19 111.51 1kqg n GLY 514 Ca 0.02 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.22 1kqg n GLY 514 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kqg h ASP 515 N 0.00 0.00 1.18 1.61 3.32 -1.96 -2.44 116.42 118.14 1kqg h ASP 515 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kqg h ASP 515 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1kqg h ASP 515 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1kqg h ALA 516 N 2.00 1.00 -2.62 3.45 0.00 -1.75 -3.40 119.26 117.93 1kqg h ALA 516 Ca -0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1kqg h ALA 516 Cb 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.95 1kqg h ALA 516 CO 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 179.25 178.87 1kqg s ALA 517 N -3.50 3.49 0.14 0.00 0.00 -0.92 -4.64 121.76 116.34 1kqg s ALA 517 Ca 0.03 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 1kqg s ALA 517 Cb 0.08 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1kqg s ALA 517 CO 0.55 -1.12 0.07 -0.65 0.00 0.00 0.00 175.76 174.60 1kqg s GLN 518 N 1.85 0.97 0.26 0.00 -1.52 -1.26 -4.85 119.66 115.11 1kqg s GLN 518 Ca 0.08 -1.47 -0.03 0.00 -1.95 0.00 0.00 55.36 51.99 1kqg s GLN 518 Cb -0.17 0.24 0.41 0.00 -0.22 0.00 0.00 33.01 33.26 1kqg s GLN 518 CO 0.11 -0.28 1.85 -0.22 -0.25 0.00 0.00 175.29 176.51 1kqg h LYS 519 N 2.83 0.99 -0.86 2.91 3.64 -1.95 -0.54 116.57 123.59 1kqg h LYS 519 Ca -0.35 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.04 1kqg h LYS 519 Cb 1.21 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.75 1kqg h LYS 519 CO 0.58 0.65 0.56 0.93 -2.27 0.00 0.00 179.45 179.91 1kqg h GLU 520 N 1.02 0.90 -0.50 1.90 3.07 -2.00 -1.99 114.58 116.99 1kqg h GLU 520 Ca 0.42 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 59.12 1kqg h GLU 520 Cb 0.26 -0.20 -0.06 0.00 -0.84 0.00 0.00 28.75 27.90 1kqg h GLU 520 CO -0.20 0.60 0.09 0.27 -1.40 0.00 0.00 179.01 178.37 1kqg n ASN 521 N -4.49 4.37 -3.72 1.42 6.94 -0.99 -4.94 115.26 113.85 1kqg n ASN 521 Ca 0.13 -3.18 -0.24 0.00 -0.02 0.00 0.00 54.58 51.27 1kqg n ASN 521 Cb 0.23 -0.65 0.05 0.00 -2.36 0.00 0.00 39.78 37.04 1kqg n ASN 521 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1kqg n ASN 522 N -0.28 -3.44 -2.55 0.53 3.02 -0.75 -2.15 115.26 109.64 1kqg n ASN 522 Ca 0.31 -0.73 -0.17 0.00 -0.03 0.00 0.00 54.58 53.97 1kqg n ASN 522 Cb 1.15 -4.33 -0.00 0.00 -0.61 0.00 0.00 39.78 35.99 1kqg n ASN 522 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1kqg n TRP 523 N -4.53 -1.36 -1.00 3.10 7.02 -0.24 -1.22 117.44 119.21 1kqg n TRP 523 Ca -0.13 0.08 -0.00 0.00 -1.02 0.00 0.00 57.50 56.43 1kqg n TRP 523 Cb 0.61 -3.31 -0.00 0.00 -2.42 0.00 0.00 31.31 26.19 1kqg n TRP 523 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1kqg n GLY 524 N -0.96 0.45 0.27 6.99 0.00 -0.91 -4.76 105.19 106.26 1kqg n GLY 524 Ca -0.17 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 45.87 1kqg n GLY 524 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1kqg n TYR 525 N -2.90 0.29 0.64 1.61 9.36 -0.36 -0.84 117.16 124.97 1kqg n TYR 525 Ca -0.00 0.91 0.08 0.00 3.32 0.00 0.00 57.90 62.21 1kqg n TYR 525 Cb 0.05 -0.94 0.38 0.00 -0.63 0.00 0.00 39.34 38.20 1kqg n TYR 525 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1kqg n ASP 526 N -5.20 0.00 0.24 2.98 8.00 -1.26 -2.77 116.55 118.54 1kqg n ASP 526 Ca 0.12 0.38 0.13 0.00 0.71 0.00 0.00 54.79 56.14 1kqg n ASP 526 Cb 0.39 -0.45 0.37 0.00 -0.02 0.00 0.00 41.12 41.41 1kqg n ASP 526 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1kqg h TRP 527 N 0.00 0.00 -3.89 1.24 6.55 -1.39 -3.45 115.95 115.01 1kqg h TRP 527 Ca 0.00 0.00 -0.48 0.00 0.95 0.00 0.00 58.89 59.36 1kqg h TRP 527 Cb 0.26 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.55 1kqg h TRP 527 CO 0.00 0.05 0.37 -0.51 -1.05 0.00 0.00 178.44 177.30 1kqg s LEU 528 N -6.26 4.34 0.32 -4.49 1.43 -1.11 -4.83 118.68 108.06 1kqg s LEU 528 Ca 0.04 1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 54.77 1kqg s LEU 528 Cb 0.07 -3.99 -0.10 0.00 0.03 0.00 0.00 46.19 42.19 1kqg s LEU 528 CO 0.63 -0.14 1.39 -2.16 0.23 0.00 0.00 176.35 176.30 1kqg s PRO 529 N -2.03 4.27 -0.11 1.29 0.04 -1.26 -4.73 135.00 132.47 1kqg s PRO 529 Ca 0.51 2.33 -0.03 0.00 0.04 0.00 0.00 61.00 63.85 1kqg s PRO 529 Cb -0.21 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1kqg s PRO 529 CO 0.26 -0.34 0.02 0.15 0.04 0.00 0.00 177.00 177.13 1kqg s LYS 530 N -1.45 3.20 0.04 4.56 1.02 -0.34 -4.38 119.74 122.39 1kqg s LYS 530 Ca 0.53 -0.39 -0.09 0.00 0.02 0.00 0.00 55.97 56.04 1kqg s LYS 530 Cb -0.42 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 1kqg s LYS 530 CO 0.53 0.61 0.34 1.67 -0.92 0.00 0.00 175.35 177.58 1kqg s TRP 531 N -0.63 3.59 -0.08 3.18 1.48 -0.92 -4.66 118.94 120.90 1kqg s TRP 531 Ca 0.10 0.70 0.21 0.00 -1.06 0.00 0.00 56.10 56.06 1kqg s TRP 531 Cb -0.12 -2.09 -0.29 0.00 -1.16 0.00 0.00 33.47 29.81 1kqg s TRP 531 CO 0.02 0.57 0.46 -0.40 -4.06 0.00 0.00 176.95 173.54 1kqg n ASP 532 N 1.07 0.09 -3.24 -2.66 5.75 -1.26 -0.55 116.55 115.75 1kqg n ASP 532 Ca -0.10 0.04 -0.07 0.00 -0.01 0.00 0.00 54.79 54.65 1kqg n ASP 532 Cb 0.53 1.64 0.01 0.00 -1.03 0.00 0.00 41.12 42.27 1kqg n ASP 532 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kqg s GLN 533 N -3.30 1.88 -0.05 0.11 -2.07 -1.26 -4.98 119.66 109.99 1kqg s GLN 533 Ca -0.08 -1.17 -0.24 0.00 -1.82 0.00 0.00 55.36 52.05 1kqg s GLN 533 Cb 0.12 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.56 1kqg s GLN 533 CO 0.88 -0.88 0.74 0.99 -1.32 0.00 0.00 175.29 175.71 1kqg s THR 534 N -2.63 5.01 -1.13 3.63 2.01 -1.26 -4.97 115.64 116.29 1kqg s THR 534 Ca 0.16 1.54 -0.06 0.00 0.31 0.00 0.00 61.69 63.63 1kqg s THR 534 Cb -0.04 -4.08 0.27 0.00 0.01 0.00 0.00 72.50 68.66 1kqg s THR 534 CO 0.09 0.25 1.52 -1.22 -0.69 0.00 0.00 174.62 174.57 1kqg n TYR 535 N 3.73 2.82 -1.21 4.92 4.01 -1.26 -5.00 117.16 125.16 1kqg n TYR 535 Ca -0.00 -2.79 -0.30 0.00 -0.16 0.00 0.00 57.90 54.65 1kqg n TYR 535 Cb 0.51 -1.48 0.14 0.00 -0.31 0.00 0.00 39.34 38.21 1kqg n TYR 535 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1kqg s ASP 536 N -0.75 3.34 0.15 7.72 -4.77 -1.26 -4.57 116.67 116.54 1kqg s ASP 536 Ca 0.33 1.42 -0.14 0.00 -3.30 0.00 0.00 52.55 50.87 1kqg s ASP 536 Cb 0.04 -2.10 0.03 0.00 -1.09 0.00 0.00 42.92 39.80 1kqg s ASP 536 CO 0.06 -2.71 1.69 -0.37 0.70 0.00 0.00 175.17 174.54 1kqg h VAL 537 N -1.60 1.22 -0.13 2.11 -1.51 -1.94 -1.25 116.25 113.16 1kqg h VAL 537 Ca -0.50 -0.71 0.01 0.00 -1.23 0.00 0.00 66.70 64.26 1kqg h VAL 537 Cb 1.29 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1kqg h VAL 537 CO 0.55 0.26 0.06 0.40 -1.23 0.00 0.00 177.57 177.62 1kqg h ILE 538 N 0.67 0.99 -0.26 7.19 2.04 -1.93 0.97 117.51 127.17 1kqg h ILE 538 Ca 0.16 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1kqg h ILE 538 Cb 0.23 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1kqg h ILE 538 CO -0.01 0.02 -0.06 0.50 0.00 0.00 0.00 178.15 178.60 1kqg h LYS 539 N 0.13 0.01 -0.32 2.37 3.64 -1.91 -0.99 116.57 119.50 1kqg h LYS 539 Ca 0.05 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1kqg h LYS 539 Cb 0.01 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1kqg h LYS 539 CO -0.04 0.00 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.11 1kqg h TYR 540 N 0.01 0.59 0.00 1.91 3.20 -0.69 -0.67 116.97 121.33 1kqg h TYR 540 Ca 0.13 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1kqg h TYR 540 Cb 0.19 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1kqg h TYR 540 CO -0.26 0.65 -0.45 0.74 -1.64 0.00 0.00 178.16 177.20 1kqg h PHE 541 N 0.51 0.00 -0.61 -3.82 -1.00 -0.48 0.10 116.94 111.64 1kqg h PHE 541 Ca 0.09 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.79 1kqg h PHE 541 Cb 0.50 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 1kqg h PHE 541 CO 0.02 0.45 0.06 -0.97 -1.61 0.00 0.00 178.31 176.26 1kqg h ASN 542 N 0.00 1.00 -0.53 2.17 -0.73 0.04 0.47 115.58 118.01 1kqg h ASN 542 Ca -0.00 -0.28 -0.10 0.00 1.87 0.00 0.00 56.30 57.78 1kqg h ASN 542 Cb 0.82 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.13 1kqg h ASN 542 CO 0.06 1.03 -0.07 0.24 -0.37 0.00 0.00 177.43 178.32 1kqg h MET 543 N 0.94 0.98 -0.81 6.67 2.86 -0.91 -2.24 114.93 122.41 1kqg h MET 543 Ca 0.18 -0.35 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1kqg h MET 543 Cb 0.48 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1kqg h MET 543 CO 0.02 1.02 0.53 1.98 1.06 0.00 0.00 176.91 181.52 1kqg h MET 544 N 0.85 1.08 -0.20 1.72 1.85 -0.62 -1.23 114.93 118.37 1kqg h MET 544 Ca 0.14 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1kqg h MET 544 Cb 0.62 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 32.40 1kqg h MET 544 CO 0.04 0.72 0.03 0.22 -0.40 0.00 0.00 176.91 177.52 1kqg h ASP 545 N 1.10 0.25 -0.09 1.39 3.58 -0.77 -1.96 116.42 119.92 1kqg h ASP 545 Ca 0.30 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1kqg h ASP 545 Cb -0.12 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1kqg h ASP 545 CO -0.06 0.27 0.00 -0.62 -2.88 0.00 0.00 179.24 175.95 1kqg n GLU 546 N -4.41 1.26 -1.05 0.28 1.02 -0.84 -4.91 120.64 111.98 1kqg n GLU 546 Ca -0.00 -0.40 -0.02 0.00 -0.02 0.00 0.00 57.16 56.72 1kqg n GLU 546 Cb 0.15 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1kqg n GLU 546 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kqg n GLY 547 N 0.80 0.54 0.32 0.62 0.00 -0.74 -4.94 105.19 101.80 1kqg n GLY 547 Ca 0.10 -0.80 0.14 0.00 0.00 0.00 0.00 46.02 45.45 1kqg n GLY 547 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kqg n LYS 548 N -2.87 1.15 -4.61 1.61 5.02 -0.52 -4.83 118.16 113.10 1kqg n LYS 548 Ca -0.02 -0.64 -0.33 0.00 -2.02 0.00 0.00 58.31 55.30 1kqg n LYS 548 Cb 0.07 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.45 1kqg n LYS 548 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kqg s VAL 549 N -2.30 2.86 -0.18 -0.18 1.01 -1.26 -4.55 120.40 115.81 1kqg s VAL 549 Ca 0.30 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1kqg s VAL 549 Cb 0.20 -2.21 -0.22 0.00 0.00 0.00 0.00 36.38 34.16 1kqg s VAL 549 CO 0.44 0.51 0.33 0.74 0.00 0.00 0.00 175.10 177.12 1kqg h THR 550 N 5.56 0.99 -3.41 3.92 2.02 -0.89 -3.42 112.91 117.68 1kqg h THR 550 Ca -0.30 -2.24 -0.33 0.00 0.77 0.00 0.00 66.41 64.31 1kqg h THR 550 Cb 1.20 2.43 -0.15 0.00 -1.74 0.00 0.00 68.15 69.90 1kqg h THR 550 CO 0.56 0.45 -0.70 -0.83 0.37 0.00 0.00 175.52 175.37 1kqg s GLY 551 N -4.87 1.14 -0.12 2.16 0.00 -1.01 -0.20 107.32 104.41 1kqg s GLY 551 Ca -0.26 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 42.81 1kqg s GLY 551 CO 0.64 -1.60 0.33 -0.47 0.00 0.00 0.00 173.10 172.00 1kqg s TYR 552 N -3.37 -0.37 -0.12 1.90 5.04 -0.96 -2.24 117.35 117.23 1kqg s TYR 552 Ca 0.19 0.89 -0.03 0.00 -2.44 0.00 0.00 57.07 55.67 1kqg s TYR 552 Cb 0.03 0.12 -0.03 0.00 0.35 0.00 0.00 41.96 42.44 1kqg s TYR 552 CO 0.02 -0.18 0.00 -0.06 -1.34 0.00 0.00 175.55 173.99 1kqg s PHE 553 N 0.24 3.14 -0.33 4.97 0.40 -0.30 -1.15 117.98 124.95 1kqg s PHE 553 Ca -0.01 0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1kqg s PHE 553 Cb -0.03 -1.88 0.10 0.00 0.51 0.00 0.00 43.02 41.72 1kqg s PHE 553 CO -0.00 0.30 0.04 0.00 0.70 0.00 0.00 175.22 176.26 1kqg s GLN 555 N 0.97 2.93 -1.30 0.00 0.74 0.15 -1.51 119.66 121.65 1kqg s GLN 555 Ca 0.10 -1.10 -0.04 0.00 0.05 0.00 0.00 55.36 54.36 1kqg s GLN 555 Cb -0.19 -3.96 -0.00 0.00 1.10 0.00 0.00 33.01 29.96 1kqg s GLN 555 CO -0.09 -0.80 0.63 0.41 -0.55 0.00 0.00 175.29 174.89 1kqg n GLY 556 N 5.13 -0.43 3.39 2.59 0.00 -0.45 -1.03 105.19 114.39 1kqg n GLY 556 Ca -0.11 0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1kqg n GLY 556 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kqg s PHE 557 N -3.72 -0.74 -0.66 1.61 5.99 -1.26 -4.35 117.98 114.84 1kqg s PHE 557 Ca 0.11 1.55 0.05 0.00 0.00 0.00 0.00 56.93 58.63 1kqg s PHE 557 Cb -0.03 0.37 0.16 0.00 0.00 0.00 0.00 43.02 43.52 1kqg s PHE 557 CO 0.85 -0.39 0.44 1.21 -0.00 0.00 0.00 175.22 177.32 1kqg s ASN 558 N 1.40 4.67 0.42 6.13 2.47 -1.26 -4.87 114.94 123.90 1kqg s ASN 558 Ca -0.09 -3.65 0.17 0.00 0.42 0.00 0.00 52.86 49.71 1kqg s ASN 558 Cb -0.07 -1.62 0.95 0.00 -1.45 0.00 0.00 41.25 39.06 1kqg s ASN 558 CO -0.14 -0.12 1.91 1.55 -3.72 0.00 0.00 177.10 176.58 1kqg h PRO 559 N 5.66 0.00 -0.63 0.43 0.13 -1.98 -0.17 132.00 135.44 1kqg h PRO 559 Ca 0.09 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1kqg h PRO 559 Cb 0.79 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 1kqg h PRO 559 CO 0.71 0.27 0.42 0.28 -0.23 0.00 0.00 178.00 179.44 1kqg h VAL 560 N 0.00 1.02 0.09 1.56 2.07 -1.92 0.45 116.25 119.52 1kqg h VAL 560 Ca -0.00 -0.22 -0.32 0.00 0.82 0.00 0.00 66.70 66.98 1kqg h VAL 560 Cb 0.52 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1kqg h VAL 560 CO 0.03 0.12 -1.71 0.00 0.02 0.00 0.00 177.57 176.04 1kqg h ALA 561 N 1.65 0.44 0.00 1.67 0.00 -1.59 -3.42 119.26 118.01 1kqg h ALA 561 Ca 0.27 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1kqg h ALA 561 Cb 0.23 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1kqg h ALA 561 CO -0.08 1.30 -1.53 -1.13 0.00 0.00 0.00 179.25 177.81 1kqg n SER 562 N -3.37 0.61 -4.86 0.00 3.41 -0.21 -4.48 113.62 104.72 1kqg n SER 562 Ca -0.21 -0.38 -0.31 0.00 -0.26 0.00 0.00 58.87 57.71 1kqg n SER 562 Cb 1.05 1.56 -0.05 0.00 -0.26 0.00 0.00 64.21 66.51 1kqg n SER 562 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1kqg s PHE 563 N -3.18 3.42 0.56 7.33 0.40 0.09 -5.01 117.98 121.59 1kqg s PHE 563 Ca -0.02 1.09 -0.19 0.00 -0.60 0.00 0.00 56.93 57.21 1kqg s PHE 563 Cb 0.14 -2.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.16 1kqg s PHE 563 CO 0.82 0.04 1.16 -1.25 0.70 0.00 0.00 175.22 176.70 1kqg s PRO 564 N -3.31 3.21 -0.85 0.24 0.04 -1.26 -4.23 135.00 128.83 1kqg s PRO 564 Ca 0.52 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 1kqg s PRO 564 Cb -0.10 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1kqg s PRO 564 CO 0.23 -0.98 0.78 -3.47 0.04 0.00 0.00 177.00 173.60 1kqg n ASP 565 N -1.38 -7.33 -0.34 6.66 -0.08 -0.77 -4.56 116.55 108.75 1kqg n ASP 565 Ca 0.12 -0.32 0.16 0.00 -1.51 0.00 0.00 54.79 53.24 1kqg n ASP 565 Cb 0.50 -5.20 0.36 0.00 2.34 0.00 0.00 41.12 39.12 1kqg n ASP 565 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1kqg h LYS 566 N -0.12 0.58 -0.15 -0.67 3.11 -0.80 0.66 116.57 119.19 1kqg h LYS 566 Ca -0.23 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.50 1kqg h LYS 566 Cb 1.12 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 1kqg h LYS 566 CO 0.35 0.38 -0.23 -0.91 -2.81 0.00 0.00 179.45 176.23 1kqg h ASN 567 N 0.60 0.26 0.29 4.20 2.35 -1.84 -0.42 115.58 121.02 1kqg h ASN 567 Ca 0.61 -0.07 -0.22 0.00 -0.55 0.00 0.00 56.30 56.07 1kqg h ASN 567 Cb 1.12 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1kqg h ASN 567 CO -0.46 0.50 -0.89 0.50 -1.65 0.00 0.00 177.43 175.43 1kqg h LYS 568 N 0.24 0.43 -0.35 0.81 3.64 -1.28 -2.79 116.57 117.28 1kqg h LYS 568 Ca 0.04 -0.44 0.04 0.00 -1.27 0.00 0.00 60.65 59.03 1kqg h LYS 568 Cb 0.55 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1kqg h LYS 568 CO 0.04 1.09 0.10 0.28 -2.27 0.00 0.00 179.45 178.69 1kqg h VAL 569 N 0.26 0.87 -0.41 2.00 2.07 -0.29 0.22 116.25 120.97 1kqg h VAL 569 Ca -0.07 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1kqg h VAL 569 Cb 1.52 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1kqg h VAL 569 CO 0.16 0.04 -0.08 0.58 0.02 0.00 0.00 177.57 178.29 1kqg h VAL 570 N 0.23 1.25 -0.53 2.57 2.07 -1.14 0.69 116.25 121.39 1kqg h VAL 570 Ca 0.16 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1kqg h VAL 570 Cb 0.16 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1kqg h VAL 570 CO -0.18 0.37 0.32 -1.28 0.02 0.00 0.00 177.57 176.81 1kqg h SER 571 N 0.65 0.63 -0.37 0.57 0.87 -1.13 -1.77 113.55 113.00 1kqg h SER 571 Ca 0.12 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1kqg h SER 571 Cb 0.52 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1kqg h SER 571 CO 0.03 0.50 -0.12 0.00 -0.53 0.00 0.00 176.83 176.71 1kqg h LEU 573 N 0.54 0.66 -1.68 0.00 3.38 -0.77 -2.14 115.31 115.31 1kqg h LEU 573 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1kqg h LEU 573 Cb 0.65 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1kqg h LEU 573 CO 0.04 0.49 0.00 0.28 0.09 0.00 0.00 178.44 179.34 1kqg h SER 574 N 0.77 0.00 0.36 -0.43 0.02 -1.22 0.33 113.55 113.38 1kqg h SER 574 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1kqg h SER 574 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1kqg h SER 574 CO -0.04 0.00 -0.28 0.29 -1.14 0.00 0.00 176.83 175.66 1kqg n LYS 575 N -2.52 0.57 -2.17 3.45 5.02 -0.80 -4.47 118.16 117.22 1kqg n LYS 575 Ca -0.01 -0.30 -0.39 0.00 -2.02 0.00 0.00 58.31 55.58 1kqg n LYS 575 Cb 0.10 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 1kqg n LYS 575 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kqg s LEU 576 N -2.64 4.29 0.14 -0.35 1.43 0.10 -4.93 118.68 116.72 1kqg s LEU 576 Ca 0.21 2.54 0.07 0.00 -1.03 0.00 0.00 54.13 55.93 1kqg s LEU 576 Cb 0.19 -3.85 -0.12 0.00 0.03 0.00 0.00 46.19 42.44 1kqg s LEU 576 CO 0.56 -0.66 1.33 0.11 0.23 0.00 0.00 176.35 177.92 1kqg h LYS 577 N 2.94 0.00 -2.61 1.70 1.79 -0.83 -3.33 116.57 116.24 1kqg h LYS 577 Ca -0.49 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 57.88 1kqg h LYS 577 Cb 1.23 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.67 1kqg h LYS 577 CO 0.64 0.94 -0.12 1.52 -1.08 0.00 0.00 179.45 181.35 1kqg s TYR 578 N -2.85 -0.44 -0.01 -1.35 1.13 -0.94 -1.19 117.35 111.70 1kqg s TYR 578 Ca 0.01 0.90 0.00 0.00 -1.41 0.00 0.00 57.07 56.57 1kqg s TYR 578 Cb 0.10 0.20 0.01 0.00 -1.10 0.00 0.00 41.96 41.17 1kqg s TYR 578 CO 0.81 -0.38 -0.00 1.41 -2.51 0.00 0.00 175.55 174.88 1kqg s MET 579 N -0.60 0.10 -0.21 -3.49 1.75 -0.27 -2.26 119.30 114.32 1kqg s MET 579 Ca -0.07 0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.41 1kqg s MET 579 Cb -0.03 -0.19 0.03 0.00 2.84 0.00 0.00 34.83 37.48 1kqg s MET 579 CO 0.04 -0.05 -0.17 0.08 -0.65 0.00 0.00 175.02 174.27 1kqg s VAL 580 N 0.39 2.12 -0.16 10.11 1.01 -0.30 -1.23 120.40 132.34 1kqg s VAL 580 Ca -0.03 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 1kqg s VAL 580 Cb -0.05 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1kqg s VAL 580 CO -0.01 0.37 0.03 -0.69 0.00 0.00 0.00 175.10 174.80 1kqg s VAL 581 N 1.24 4.55 -0.15 2.92 1.01 0.50 -0.27 120.40 130.20 1kqg s VAL 581 Ca 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1kqg s VAL 581 Cb -0.15 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1kqg s VAL 581 CO -0.10 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.71 1kqg s ILE 582 N 0.15 1.62 -0.11 2.22 1.01 -0.57 -0.31 121.20 125.22 1kqg s ILE 582 Ca 0.03 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 59.70 1kqg s ILE 582 Cb -0.13 -1.51 0.12 0.00 0.01 0.00 0.00 42.46 40.96 1kqg s ILE 582 CO 0.01 0.47 1.03 -0.62 0.00 0.00 0.00 174.94 175.83 1kqg s ASP 583 N 1.40 -0.28 0.00 3.58 -1.08 -1.08 -1.35 116.67 117.86 1kqg s ASP 583 Ca 0.04 0.09 0.28 0.00 -0.52 0.00 0.00 52.55 52.43 1kqg s ASP 583 Cb -0.13 0.28 1.09 0.00 -1.46 0.00 0.00 42.92 42.70 1kqg s ASP 583 CO -0.10 -0.41 1.81 -0.81 0.52 0.00 0.00 175.17 176.17 1kqg n PRO 584 N 0.05 0.21 -4.13 4.34 -0.04 -1.26 -1.54 135.00 132.62 1kqg n PRO 584 Ca -0.06 -0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 1kqg n PRO 584 Cb 0.60 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 1kqg n PRO 584 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1kqg s LEU 585 N -2.83 2.41 0.11 1.53 1.43 -1.26 -1.09 118.68 118.98 1kqg s LEU 585 Ca 0.18 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 52.15 1kqg s LEU 585 Cb 0.19 -0.14 -0.09 0.00 0.03 0.00 0.00 46.19 46.19 1kqg s LEU 585 CO 0.55 -0.35 1.53 -0.69 0.23 0.00 0.00 176.35 177.62 1kqg s VAL 586 N -2.69 3.02 0.26 -1.59 1.01 -1.03 -4.82 120.40 114.55 1kqg s VAL 586 Ca 0.04 0.65 0.11 0.00 0.00 0.00 0.00 61.98 62.77 1kqg s VAL 586 Cb -0.01 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1kqg s VAL 586 CO -0.02 0.03 -0.19 0.42 0.00 0.00 0.00 175.10 175.34 1kqg s THR 587 N 1.67 2.28 0.31 3.92 -4.23 -1.26 -4.92 115.64 113.42 1kqg s THR 587 Ca 0.69 -2.34 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 1kqg s THR 587 Cb -0.40 -2.22 0.28 0.00 1.34 0.00 0.00 72.50 71.51 1kqg s THR 587 CO 0.31 -0.43 1.91 -0.33 -0.54 0.00 0.00 174.62 175.53 1kqg h GLU 588 N 2.40 0.94 -0.59 3.99 3.07 -1.95 -2.20 114.58 120.23 1kqg h GLU 588 Ca -0.40 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.38 1kqg h GLU 588 Cb 1.25 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.92 1kqg h GLU 588 CO 0.60 0.62 0.27 1.15 -1.40 0.00 0.00 179.01 180.25 1kqg h THR 589 N 0.97 1.22 0.00 1.13 2.02 -1.94 -0.91 112.91 115.39 1kqg h THR 589 Ca 0.39 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1kqg h THR 589 Cb 0.26 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1kqg h THR 589 CO -0.15 0.25 -0.27 0.77 0.37 0.00 0.00 175.52 176.49 1kqg h SER 590 N 0.81 0.00 -0.45 4.18 4.64 -1.81 -2.68 113.55 118.24 1kqg h SER 590 Ca 0.20 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.29 1kqg h SER 590 Cb 0.14 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.10 1kqg h SER 590 CO -0.02 0.27 0.03 0.35 -0.87 0.00 0.00 176.83 176.58 1kqg n THR 591 N -4.10 2.65 0.23 2.95 -2.24 -0.75 -4.72 114.28 108.30 1kqg n THR 591 Ca -0.02 -2.62 0.14 0.00 -2.27 0.00 0.00 64.05 59.28 1kqg n THR 591 Cb 0.33 -0.34 0.78 0.00 -2.10 0.00 0.00 70.33 69.00 1kqg n THR 591 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1kqg h PHE 592 N 1.03 0.00 -0.00 4.78 -0.00 -0.84 -1.87 116.94 120.04 1kqg h PHE 592 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.25 1kqg h PHE 592 Cb 1.84 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.79 1kqg h PHE 592 CO 1.12 0.00 -0.05 -2.67 -0.00 0.00 0.00 178.31 176.71 1kqg n TRP 593 N -4.13 0.00 -3.89 6.09 4.27 -1.26 -4.89 117.44 113.63 1kqg n TRP 593 Ca -0.01 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.24 1kqg n TRP 593 Cb 0.19 -0.12 -0.06 0.00 -1.36 0.00 0.00 31.31 29.96 1kqg n TRP 593 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 1kqg s GLN 594 N -2.29 3.43 -0.08 -2.67 0.74 -0.71 -3.82 119.66 114.26 1kqg s GLN 594 Ca 0.36 -0.16 -0.30 0.00 0.05 0.00 0.00 55.36 55.31 1kqg s GLN 594 Cb 0.21 -3.17 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 1kqg s GLN 594 CO 0.42 0.77 1.11 1.21 -0.55 0.00 0.00 175.29 178.25 1kqg s ASN 595 N -1.13 7.14 -0.22 6.67 3.84 -1.26 -4.65 114.94 125.33 1kqg s ASN 595 Ca 0.16 1.67 0.13 0.00 0.21 0.00 0.00 52.86 55.03 1kqg s ASN 595 Cb -0.12 -2.56 0.45 0.00 -0.55 0.00 0.00 41.25 38.47 1kqg s ASN 595 CO 0.06 -0.52 1.19 1.41 -2.79 0.00 0.00 177.10 176.44 1kqg n HIS 596 N 5.14 1.25 -4.46 0.43 8.25 0.20 -4.99 115.22 121.04 1kqg n HIS 596 Ca 0.10 -1.75 0.00 0.00 -0.26 0.00 0.00 57.72 55.81 1kqg n HIS 596 Cb 0.47 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1kqg n HIS 596 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kqg n GLY 597 N -0.69 0.23 0.36 -1.41 0.00 -1.25 -2.99 105.19 99.45 1kqg n GLY 597 Ca 0.25 -0.89 0.15 0.00 0.00 0.00 0.00 46.02 45.53 1kqg n GLY 597 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kqg h GLU 598 N 0.00 0.30 -0.27 1.61 5.08 -1.99 -1.19 114.58 118.12 1kqg h GLU 598 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1kqg h GLU 598 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1kqg h GLU 598 CO 0.00 0.20 0.15 0.77 -1.00 0.00 0.00 179.01 179.13 1kqg h SER 599 N 0.31 0.32 -1.09 1.42 0.02 -1.83 -3.36 113.55 109.34 1kqg h SER 599 Ca 0.29 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.98 1kqg h SER 599 Cb 0.72 -0.08 -0.20 0.00 0.14 0.00 0.00 62.40 62.98 1kqg h SER 599 CO -0.07 0.26 -0.58 -3.20 -1.14 0.00 0.00 176.83 172.10 1kqg n ASN 600 N -4.47 -2.83 -4.52 3.07 5.15 -0.68 -4.77 115.26 106.22 1kqg n ASN 600 Ca 0.01 -2.89 -0.43 0.00 -0.60 0.00 0.00 54.58 50.67 1kqg n ASN 600 Cb 0.09 1.35 -0.01 0.00 -0.53 0.00 0.00 39.78 40.69 1kqg n ASN 600 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1kqg s ASP 601 N 0.32 6.87 0.33 1.20 2.15 -0.54 -0.63 116.67 126.37 1kqg s ASP 601 Ca 0.31 -2.51 0.06 0.00 0.43 0.00 0.00 52.55 50.84 1kqg s ASP 601 Cb 0.04 -2.49 -0.07 0.00 -0.30 0.00 0.00 42.92 40.11 1kqg s ASP 601 CO -0.10 -1.03 -0.02 0.68 -0.17 0.00 0.00 175.17 174.53 1kqg s VAL 602 N 3.08 1.71 -0.31 1.11 -7.23 -1.26 -5.05 120.40 112.44 1kqg s VAL 602 Ca 0.46 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1kqg s VAL 602 Cb -0.00 -2.70 0.08 0.00 0.56 0.00 0.00 36.38 34.31 1kqg s VAL 602 CO 0.01 -0.13 0.01 -0.62 -0.31 0.00 0.00 175.10 174.05 1kqg s ASP 603 N -3.55 4.78 0.34 4.85 2.15 -1.26 -4.41 116.67 119.57 1kqg s ASP 603 Ca 0.33 -1.66 0.09 0.00 0.43 0.00 0.00 52.55 51.74 1kqg s ASP 603 Cb 0.06 -1.66 0.82 0.00 -0.30 0.00 0.00 42.92 41.84 1kqg s ASP 603 CO 0.15 -0.31 1.84 -0.65 -0.17 0.00 0.00 175.17 176.02 1kqg h PRO 604 N 7.83 0.68 0.00 4.34 0.11 -1.89 0.11 132.00 143.18 1kqg h PRO 604 Ca -0.15 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.91 1kqg h PRO 604 Cb 1.04 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1kqg h PRO 604 CO 0.53 0.45 -0.05 0.00 -0.21 0.00 0.00 178.00 178.72 1kqg h ALA 605 N 1.60 1.12 -0.00 -0.75 0.00 -1.85 -2.59 119.26 116.80 1kqg h ALA 605 Ca 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1kqg h ALA 605 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1kqg h ALA 605 CO -0.25 0.07 -0.44 -1.13 0.00 0.00 0.00 179.25 177.49 1kqg n SER 606 N -3.32 0.59 -4.52 0.00 3.41 0.39 -4.60 113.62 105.58 1kqg n SER 606 Ca -0.01 -0.37 -0.41 0.00 -0.26 0.00 0.00 58.87 57.82 1kqg n SER 606 Cb 0.21 0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 1kqg n SER 606 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1kqg s ILE 607 N -2.90 5.28 -2.25 -1.33 1.01 -0.97 -4.99 121.20 115.06 1kqg s ILE 607 Ca 0.14 -0.27 0.19 0.00 0.00 0.00 0.00 60.65 60.71 1kqg s ILE 607 Cb 0.18 -3.75 0.43 0.00 0.01 0.00 0.00 42.46 39.33 1kqg s ILE 607 CO 0.66 -0.06 1.46 0.00 0.00 0.00 0.00 174.94 177.00 1kqg n GLN 608 N 5.12 1.92 -1.85 2.79 1.13 -1.26 -0.98 117.38 124.25 1kqg n GLN 608 Ca -0.12 -1.40 -0.41 0.00 -1.94 0.00 0.00 57.00 53.12 1kqg n GLN 608 Cb 0.49 -1.40 -0.01 0.00 0.11 0.00 0.00 30.24 29.43 1kqg n GLN 608 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1kqg s THR 609 N -1.65 2.23 -0.18 5.09 2.01 -1.25 -4.33 115.64 117.55 1kqg s THR 609 Ca 0.32 0.20 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 1kqg s THR 609 Cb 0.18 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 1kqg s THR 609 CO 0.25 0.04 0.78 -1.61 -0.69 0.00 0.00 174.62 173.40 1kqg s GLU 610 N -0.86 4.27 -0.15 4.92 2.02 -0.33 -4.15 118.70 124.42 1kqg s GLU 610 Ca 0.60 0.92 -0.00 0.00 0.02 0.00 0.00 54.97 56.50 1kqg s GLU 610 Cb -0.46 -3.58 -0.01 0.00 0.10 0.00 0.00 34.13 30.19 1kqg s GLU 610 CO 0.50 -0.31 -0.13 0.08 0.02 0.00 0.00 175.26 175.42 1kqg s VAL 611 N 2.11 2.90 -0.20 2.63 1.01 -0.70 -1.11 120.40 127.04 1kqg s VAL 611 Ca 0.36 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1kqg s VAL 611 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1kqg s VAL 611 CO 0.12 0.51 0.03 -0.36 0.00 0.00 0.00 175.10 175.40 1kqg s PHE 612 N 0.68 3.11 -0.31 5.22 0.40 -0.37 -0.56 117.98 126.16 1kqg s PHE 612 Ca -0.07 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1kqg s PHE 612 Cb -0.15 -2.10 0.06 0.00 0.51 0.00 0.00 43.02 41.33 1kqg s PHE 612 CO 0.02 -0.12 0.01 0.50 0.70 0.00 0.00 175.22 176.33 1kqg s ARG 613 N 0.87 2.37 -0.20 0.44 3.52 0.25 -0.37 118.95 125.83 1kqg s ARG 613 Ca 0.02 -1.32 -0.05 0.00 -0.13 0.00 0.00 55.73 54.25 1kqg s ARG 613 Cb -0.14 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1kqg s ARG 613 CO 0.02 -0.65 -0.00 -0.51 -0.81 0.00 0.00 175.30 173.35 1kqg s LEU 614 N 1.23 3.26 -0.29 -0.88 1.43 0.58 -1.61 118.68 122.41 1kqg s LEU 614 Ca -0.04 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 1kqg s LEU 614 Cb -0.20 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1kqg s LEU 614 CO -0.02 0.07 1.23 -2.16 0.23 0.00 0.00 176.35 175.70 1kqg s PRO 615 N 0.97 4.01 0.49 1.29 0.04 -1.26 -2.65 135.00 137.90 1kqg s PRO 615 Ca 0.01 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.39 1kqg s PRO 615 Cb -0.14 -3.82 0.03 0.00 0.04 0.00 0.00 34.50 30.61 1kqg s PRO 615 CO 0.02 -0.99 0.50 -1.54 0.04 0.00 0.00 177.00 175.03 1kqg s SER 616 N 2.32 4.99 0.93 6.66 1.04 -0.59 -1.27 113.70 127.77 1kqg s SER 616 Ca 0.53 -0.90 -0.12 0.00 0.48 0.00 0.00 55.95 55.94 1kqg s SER 616 Cb -0.16 -0.06 0.15 0.00 0.10 0.00 0.00 66.02 66.05 1kqg s SER 616 CO 0.19 -0.97 1.12 0.42 0.98 0.00 0.00 173.24 174.98 1kqg s THR 617 N -2.60 2.11 0.54 2.02 -4.23 -0.67 -4.05 115.64 108.75 1kqg s THR 617 Ca 0.48 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1kqg s THR 617 Cb -0.04 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1kqg s THR 617 CO 0.29 -0.05 0.14 0.00 -0.54 0.00 0.00 174.62 174.46 1kqg h PHE 619 N 1.07 0.97 0.00 0.00 -0.00 -1.93 -1.89 116.94 115.16 1kqg h PHE 619 Ca -0.41 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.59 1kqg h PHE 619 Cb 1.32 -0.29 0.00 0.00 -0.00 0.00 0.00 35.95 36.98 1kqg h PHE 619 CO 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 178.31 178.45 1kqg n ALA 620 N -2.35 2.21 -0.60 12.09 0.00 -1.26 -3.50 120.51 127.10 1kqg n ALA 620 Ca 0.25 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1kqg n ALA 620 Cb 0.69 -1.41 0.19 0.00 0.00 0.00 0.00 19.45 18.92 1kqg n ALA 620 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kqg n GLU 621 N -1.39 2.78 -3.86 0.00 1.02 -0.71 -0.85 120.64 117.63 1kqg n GLU 621 Ca 0.09 -2.40 -0.09 0.00 -0.02 0.00 0.00 57.16 54.73 1kqg n GLU 621 Cb 0.25 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 1kqg n GLU 621 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1kqg s GLU 622 N -1.97 1.09 0.30 3.49 2.02 -1.23 -4.75 118.70 117.65 1kqg s GLU 622 Ca 0.30 -1.02 0.04 0.00 0.02 0.00 0.00 54.97 54.32 1kqg s GLU 622 Cb 0.22 0.40 -0.02 0.00 0.10 0.00 0.00 34.13 34.83 1kqg s GLU 622 CO 0.10 -0.40 0.45 0.16 0.02 0.00 0.00 175.26 175.59 1kqg s ASP 623 N -2.91 6.21 0.00 -0.19 -4.77 -1.26 -3.61 116.67 110.14 1kqg s ASP 623 Ca 0.11 0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.48 1kqg s ASP 623 Cb 0.03 -1.75 0.00 0.00 -1.09 0.00 0.00 42.92 40.11 1kqg s ASP 623 CO -0.05 -0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.19 1kqg n GLY 624 N -1.59 -1.45 3.43 2.12 0.00 -0.90 -4.76 105.19 102.04 1kqg n GLY 624 Ca -0.06 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 1kqg n GLY 624 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kqg s SER 625 N -3.05 3.35 0.00 1.61 1.04 -1.26 -1.31 113.70 114.08 1kqg s SER 625 Ca 0.00 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.45 1kqg s SER 625 Cb 0.00 -0.26 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 1kqg s SER 625 CO 0.00 0.04 0.02 0.27 0.98 0.00 0.00 173.24 174.55 1kqg s ILE 626 N -2.26 0.05 -0.29 -1.02 -4.36 -0.85 -1.32 121.20 111.15 1kqg s ILE 626 Ca 0.25 -0.43 -0.11 0.00 -0.26 0.00 0.00 60.65 60.10 1kqg s ILE 626 Cb -0.06 -0.18 -0.04 0.00 1.25 0.00 0.00 42.46 43.43 1kqg s ILE 626 CO 0.12 -0.23 0.19 0.00 0.24 0.00 0.00 174.94 175.25 1kqg s ALA 627 N -0.71 3.50 1.07 2.27 0.00 -1.26 -1.52 121.76 125.11 1kqg s ALA 627 Ca -0.08 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 1kqg s ALA 627 Cb -0.05 -2.49 0.22 0.00 0.00 0.00 0.00 23.12 20.81 1kqg s ALA 627 CO -0.00 -0.63 1.13 0.27 0.00 0.00 0.00 175.76 176.53 1kqg n ASN 628 N 5.06 -0.54 0.28 0.00 6.94 -0.24 -4.15 115.26 122.61 1kqg n ASN 628 Ca -0.14 -1.33 0.13 0.00 -0.02 0.00 0.00 54.58 53.22 1kqg n ASN 628 Cb 0.51 -0.91 0.84 0.00 -2.36 0.00 0.00 39.78 37.86 1kqg n ASN 628 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1kqg h SER 629 N -1.88 0.00 -0.20 0.53 0.87 -1.47 -1.33 113.55 110.07 1kqg h SER 629 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1kqg h SER 629 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1kqg h SER 629 CO 0.26 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.17 1kqg n GLY 630 N -1.39 0.20 1.98 5.77 0.00 -1.26 -4.30 105.19 106.19 1kqg n GLY 630 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1kqg n GLY 630 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqg n ARG 631 N 0.23 0.00 -2.97 1.61 1.74 -0.50 -4.85 116.66 111.93 1kqg n ARG 631 Ca 0.14 0.47 -0.41 0.00 -0.77 0.00 0.00 57.85 57.27 1kqg n ARG 631 Cb 0.27 -3.91 -0.05 0.00 -1.02 0.00 0.00 32.46 27.76 1kqg n ARG 631 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1kqg s TRP 632 N -2.00 3.29 -0.46 -1.55 0.52 -1.26 -1.97 118.94 115.51 1kqg s TRP 632 Ca 0.00 1.00 -0.27 0.00 0.02 0.00 0.00 56.10 56.85 1kqg s TRP 632 Cb 0.00 -2.99 0.03 0.00 -1.15 0.00 0.00 33.47 29.36 1kqg s TRP 632 CO 0.00 -0.39 1.02 -0.51 0.02 0.00 0.00 176.95 177.10 1kqg s LEU 633 N 2.73 3.84 -0.13 2.99 1.02 0.87 -1.08 118.68 128.93 1kqg s LEU 633 Ca 0.32 0.35 -0.01 0.00 0.02 0.00 0.00 54.13 54.81 1kqg s LEU 633 Cb -0.15 -3.37 -0.02 0.00 0.02 0.00 0.00 46.19 42.67 1kqg s LEU 633 CO 0.08 -1.12 -0.11 -1.10 0.02 0.00 0.00 176.35 174.13 1kqg s GLN 634 N 4.04 3.37 0.35 1.70 -0.21 -0.58 -3.00 119.66 125.33 1kqg s GLN 634 Ca 0.42 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 54.99 1kqg s GLN 634 Cb -0.09 -2.68 -0.09 0.00 1.00 0.00 0.00 33.01 31.15 1kqg s GLN 634 CO 0.28 0.27 0.79 -0.46 -2.12 0.00 0.00 175.29 174.04 1kqg s TRP 635 N 0.23 3.36 0.03 0.91 -0.11 -0.76 -2.01 118.94 120.59 1kqg s TRP 635 Ca -0.07 1.32 -0.03 0.00 1.22 0.00 0.00 56.10 58.54 1kqg s TRP 635 Cb -0.15 -2.62 -0.02 0.00 -1.50 0.00 0.00 33.47 29.19 1kqg s TRP 635 CO 0.05 0.05 0.04 -3.38 -4.62 0.00 0.00 176.95 169.08 1kqg s HIS 636 N -2.02 0.23 0.13 5.86 -3.43 -0.43 -4.86 115.29 110.77 1kqg s HIS 636 Ca 0.56 -0.50 0.09 0.00 -0.80 0.00 0.00 55.06 54.41 1kqg s HIS 636 Cb -0.10 -0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 30.84 1kqg s HIS 636 CO 0.16 -0.28 -0.18 -1.58 -2.00 0.00 0.00 174.74 170.86 1kqg s TRP 637 N -2.06 2.52 0.08 0.38 0.51 -0.96 -2.12 118.94 117.28 1kqg s TRP 637 Ca -0.10 -0.27 -0.31 0.00 -2.12 0.00 0.00 56.10 53.30 1kqg s TRP 637 Cb -0.05 -1.32 -0.07 0.00 -0.81 0.00 0.00 33.47 31.22 1kqg s TRP 637 CO -0.03 0.41 1.32 0.21 -0.51 0.00 0.00 176.95 178.35 1kqg s LYS 638 N -2.25 4.35 -0.07 4.98 2.20 -1.24 -4.71 119.74 123.01 1kqg s LYS 638 Ca 0.19 1.95 0.15 0.00 -0.36 0.00 0.00 55.97 57.90 1kqg s LYS 638 Cb -0.10 -3.33 -0.23 0.00 -1.51 0.00 0.00 37.83 32.66 1kqg s LYS 638 CO 0.10 -0.39 0.25 0.41 -0.36 0.00 0.00 175.35 175.36 1kqg n GLY 639 N 3.42 -0.75 3.59 5.54 0.00 -0.03 -4.97 105.19 111.99 1kqg n GLY 639 Ca 0.11 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1kqg n GLY 639 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kqg s GLN 640 N -2.87 1.47 0.75 1.61 -2.07 -1.20 -4.70 119.66 112.66 1kqg s GLN 640 Ca -0.07 -0.85 -0.11 0.00 -1.82 0.00 0.00 55.36 52.51 1kqg s GLN 640 Cb 0.08 0.55 0.04 0.00 -1.09 0.00 0.00 33.01 32.60 1kqg s GLN 640 CO 0.66 -0.64 1.10 -0.51 -1.32 0.00 0.00 175.29 174.58 1kqg s ASP 641 N -2.87 4.97 0.61 12.60 1.11 -1.26 -4.29 116.67 127.54 1kqg s ASP 641 Ca 0.09 1.20 -0.10 0.00 0.18 0.00 0.00 52.55 53.92 1kqg s ASP 641 Cb -0.02 -1.96 -0.03 0.00 1.07 0.00 0.00 42.92 41.97 1kqg s ASP 641 CO -0.02 -1.65 1.00 0.00 1.18 0.00 0.00 175.17 175.68 1kqg s ALA 642 N -3.27 3.13 0.66 5.23 0.00 -1.26 -4.99 121.76 121.26 1kqg s ALA 642 Ca 0.59 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 1kqg s ALA 642 Cb -0.13 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1kqg s ALA 642 CO 0.53 -0.68 1.06 -1.25 0.00 0.00 0.00 175.76 175.42 1kqg s PRO 643 N -5.13 3.05 5.82 0.00 0.04 -1.26 -4.72 135.00 132.80 1kqg s PRO 643 Ca 0.54 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1kqg s PRO 643 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1kqg s PRO 643 CO 0.52 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1kqg n GLY 644 N -1.58 3.20 1.45 0.56 0.00 -1.26 -2.16 105.19 105.40 1kqg n GLY 644 Ca 0.08 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.99 1kqg n GLY 644 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kqg n GLU 645 N 14.00 3.42 -1.71 1.61 1.02 0.44 -5.02 120.64 134.40 1kqg n GLU 645 Ca 0.00 -3.02 -0.40 0.00 -0.02 0.00 0.00 57.16 53.72 1kqg n GLU 645 Cb 0.00 -2.04 0.02 0.00 -0.02 0.00 0.00 31.44 29.41 1kqg n GLU 645 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kqg n ALA 646 N -0.26 1.40 -2.39 0.62 0.00 -0.92 -4.90 120.51 114.05 1kqg n ALA 646 Ca 0.30 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.75 1kqg n ALA 646 Cb 1.12 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 1kqg n ALA 646 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1kqg s ARG 647 N -2.43 1.48 0.52 0.00 0.52 -0.40 -4.78 118.95 113.86 1kqg s ARG 647 Ca 0.64 -1.76 -0.16 0.00 -0.52 0.00 0.00 55.73 53.94 1kqg s ARG 647 Cb -0.47 -0.91 -0.07 0.00 0.52 0.00 0.00 34.95 34.01 1kqg s ARG 647 CO 0.55 -0.04 0.98 0.54 0.02 0.00 0.00 175.30 177.35 1kqg s ASN 648 N -3.40 6.59 0.24 0.23 2.20 -1.26 -1.66 114.94 117.88 1kqg s ASN 648 Ca 0.30 1.53 -0.04 0.00 -0.94 0.00 0.00 52.86 53.71 1kqg s ASN 648 Cb 0.05 -2.49 0.40 0.00 -2.00 0.00 0.00 41.25 37.20 1kqg s ASN 648 CO 0.11 -0.60 1.81 0.44 -2.94 0.00 0.00 177.10 175.92 1kqg h ASP 649 N 0.84 0.67 -0.27 3.54 3.32 -1.96 -1.55 116.42 121.01 1kqg h ASP 649 Ca -0.47 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.57 1kqg h ASP 649 Cb 1.19 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1kqg h ASP 649 CO 0.62 0.38 -0.04 1.23 -1.72 0.00 0.00 179.24 179.71 1kqg h GLY 650 N 0.79 0.68 1.80 2.75 0.00 -1.92 -1.68 103.07 105.49 1kqg h GLY 650 Ca 0.40 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1kqg h GLY 650 CO -0.25 0.42 -0.41 0.83 0.00 0.00 0.00 176.54 177.13 1kqg h GLU 651 N 0.59 0.22 -0.11 4.80 5.08 -1.53 -0.65 114.58 122.98 1kqg h GLU 651 Ca 0.12 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1kqg h GLU 651 Cb 0.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1kqg h GLU 651 CO 0.02 0.60 -0.38 0.82 -1.00 0.00 0.00 179.01 179.07 1kqg h ILE 652 N 0.19 1.38 -0.47 3.13 2.04 -1.09 -1.57 117.51 121.11 1kqg h ILE 652 Ca 0.02 -1.70 -0.05 0.00 1.00 0.00 0.00 64.86 64.13 1kqg h ILE 652 Cb 0.80 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1kqg h ILE 652 CO 0.06 0.50 0.11 -0.07 0.00 0.00 0.00 178.15 178.76 1kqg h LEU 653 N 0.04 0.71 -1.22 1.44 3.38 -1.28 -2.79 115.31 115.59 1kqg h LEU 653 Ca -0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1kqg h LEU 653 Cb 1.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1kqg h LEU 653 CO 0.08 0.76 0.02 0.00 0.09 0.00 0.00 178.44 179.39 1kqg h ALA 654 N 0.98 1.37 0.46 1.53 0.00 -1.11 0.32 119.26 122.80 1kqg h ALA 654 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1kqg h ALA 654 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1kqg h ALA 654 CO 0.00 0.44 -0.22 0.78 0.00 0.00 0.00 179.25 180.25 1kqg h GLY 655 N 0.84 -0.65 0.95 0.00 0.00 -1.07 -0.43 103.07 102.71 1kqg h GLY 655 Ca 0.12 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.70 1kqg h GLY 655 CO 0.01 -0.24 0.26 -2.22 0.00 0.00 0.00 176.54 174.36 1kqg h ILE 656 N -0.73 1.07 -0.25 2.60 2.04 -1.30 -2.39 117.51 118.56 1kqg h ILE 656 Ca -0.06 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1kqg h ILE 656 Cb 0.53 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1kqg h ILE 656 CO 0.10 0.10 0.08 0.22 0.00 0.00 0.00 178.15 178.65 1kqg h TYR 657 N 0.54 0.40 -0.27 1.37 3.20 -0.87 -0.47 116.97 120.86 1kqg h TYR 657 Ca 0.16 -0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.83 1kqg h TYR 657 Cb -0.03 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1kqg h TYR 657 CO -0.06 0.44 -0.49 0.45 -1.64 0.00 0.00 178.16 176.86 1kqg h HIS 658 N 0.24 0.91 0.19 -3.82 3.86 -1.03 0.97 115.15 116.48 1kqg h HIS 658 Ca 0.08 -0.31 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1kqg h HIS 658 Cb 0.22 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1kqg h HIS 658 CO 0.00 1.08 -0.12 0.45 0.86 0.00 0.00 177.93 180.20 1kqg h HIS 659 N 0.58 -0.31 -0.08 2.45 3.86 -1.31 -2.02 115.15 118.31 1kqg h HIS 659 Ca 0.03 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1kqg h HIS 659 Cb 1.06 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.61 1kqg h HIS 659 CO 0.06 -0.19 -0.10 1.25 0.86 0.00 0.00 177.93 179.81 1kqg h LEU 660 N -0.31 -0.29 -1.51 2.43 5.85 -0.86 -1.62 115.31 119.00 1kqg h LEU 660 Ca -0.02 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1kqg h LEU 660 Cb 0.26 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1kqg h LEU 660 CO 0.01 -0.13 -0.25 0.03 -0.34 0.00 0.00 178.44 177.76 1kqg h ARG 661 N -0.12 0.00 -0.27 1.25 3.08 -0.77 -2.44 114.38 115.11 1kqg h ARG 661 Ca 0.07 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.96 1kqg h ARG 661 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1kqg h ARG 661 CO -0.16 0.25 -0.44 0.93 -1.07 0.00 0.00 179.97 179.48 1kqg h GLU 662 N 0.00 0.78 -0.73 0.04 4.39 -0.92 -0.28 114.58 117.84 1kqg h GLU 662 Ca -0.00 -0.47 0.09 0.00 0.34 0.00 0.00 59.36 59.31 1kqg h GLU 662 Cb 0.49 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 1kqg h GLU 662 CO 0.03 1.10 0.38 -0.07 -1.16 0.00 0.00 179.01 179.30 1kqg h LEU 663 N 0.53 0.52 -0.73 1.33 3.38 -0.85 -0.76 115.31 118.72 1kqg h LEU 663 Ca 0.02 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1kqg h LEU 663 Cb 1.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1kqg h LEU 663 CO 0.10 0.30 -0.11 1.88 0.09 0.00 0.00 178.44 180.69 1kqg h TYR 664 N 0.65 0.94 -0.83 1.13 0.05 -1.15 0.44 116.97 118.20 1kqg h TYR 664 Ca 0.36 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1kqg h TYR 664 Cb 0.36 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.82 1kqg h TYR 664 CO -0.09 0.91 0.46 0.37 -1.05 0.00 0.00 178.16 178.76 1kqg h GLN 665 N 0.77 1.15 0.00 4.88 5.75 0.34 -0.91 115.11 127.09 1kqg h GLN 665 Ca 0.13 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1kqg h GLN 665 Cb 0.62 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1kqg h GLN 665 CO 0.04 0.84 -1.45 -1.13 -2.65 0.00 0.00 178.83 174.49 1kqg n SER 666 N -4.40 0.55 -0.00 -0.69 3.41 -0.59 -4.50 113.62 107.40 1kqg n SER 666 Ca 0.08 0.22 0.04 0.00 -0.26 0.00 0.00 58.87 58.95 1kqg n SER 666 Cb 0.09 0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 64.88 1kqg n SER 666 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kqg n GLU 667 N -2.59 3.09 0.00 4.33 1.02 0.12 -5.10 120.64 121.51 1kqg n GLU 667 Ca -0.05 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1kqg n GLU 667 Cb 0.64 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 1kqg n GLU 667 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kqg n GLY 668 N 1.45 -0.65 0.00 0.62 0.00 -0.35 -5.01 105.19 101.24 1kqg n GLY 668 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1kqg n GLY 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kqg n GLY 669 N 0.00 -0.77 3.92 -0.02 0.00 -1.26 -4.62 105.19 102.43 1kqg n GLY 669 Ca 0.00 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 1kqg n GLY 669 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqg s LYS 670 N -2.00 3.54 -1.33 1.61 1.02 -1.26 -4.39 119.74 116.93 1kqg s LYS 670 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 55.97 55.92 1kqg s LYS 670 Cb 0.00 -2.50 0.05 0.00 -0.52 0.00 0.00 37.83 34.86 1kqg s LYS 670 CO 0.00 -0.04 0.48 0.41 -0.92 0.00 0.00 175.35 175.28 1kqg n GLY 671 N -1.94 -0.50 0.16 -3.33 0.00 -1.26 -4.89 105.19 93.43 1kqg n GLY 671 Ca -0.01 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1kqg n GLY 671 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kqg h VAL 672 N -0.99 1.19 0.31 1.61 2.07 -1.99 -3.24 116.25 115.21 1kqg h VAL 672 Ca -0.44 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1kqg h VAL 672 Cb 1.30 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1kqg h VAL 672 CO 0.53 0.20 -0.15 -0.08 0.02 0.00 0.00 177.57 178.09 1kqg h GLU 673 N 0.34 -0.40 -0.96 1.57 4.81 -1.95 -1.19 114.58 116.79 1kqg h GLU 673 Ca 0.10 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1kqg h GLU 673 Cb 0.21 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 1kqg h GLU 673 CO -0.01 -0.16 0.59 -1.35 -0.73 0.00 0.00 179.01 177.35 1kqg h PRO 674 N -0.58 0.94 -0.05 0.92 0.11 -1.88 -0.46 132.00 131.00 1kqg h PRO 674 Ca -0.04 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1kqg h PRO 674 Cb 0.42 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1kqg h PRO 674 CO 0.07 0.62 0.01 1.25 -0.21 0.00 0.00 178.00 179.73 1kqg h LEU 675 N 0.96 0.08 -0.78 2.35 5.85 -1.37 -3.27 115.31 119.14 1kqg h LEU 675 Ca 0.47 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1kqg h LEU 675 Cb 0.43 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1kqg h LEU 675 CO -0.25 0.33 -0.06 0.24 -0.34 0.00 0.00 178.44 178.36 1kqg h MET 676 N -0.18 0.00 0.00 1.25 0.00 -0.73 -3.08 114.93 112.19 1kqg h MET 676 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.71 1kqg h MET 676 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.89 1kqg h MET 676 CO 0.00 0.06 -0.01 0.87 0.00 0.00 0.00 176.91 177.84 1kqg h LYS 677 N 0.00 0.00 -6.73 1.72 1.79 -1.14 -3.46 116.57 108.75 1kqg h LYS 677 Ca -0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.94 1kqg h LYS 677 Cb 0.78 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.50 1kqg h LYS 677 CO 0.01 0.00 0.95 1.41 -1.08 0.00 0.00 179.45 180.74 1kqg s MET 678 N -3.14 4.12 0.49 3.15 1.75 -1.17 -4.62 119.30 119.88 1kqg s MET 678 Ca 0.09 2.59 -0.19 0.00 -1.25 0.00 0.00 55.69 56.93 1kqg s MET 678 Cb 0.09 -3.05 -0.09 0.00 2.84 0.00 0.00 34.83 34.63 1kqg s MET 678 CO 0.63 -0.69 1.01 -1.54 -0.65 0.00 0.00 175.02 173.77 1kqg s SER 679 N 0.85 6.48 -0.37 1.11 1.04 0.59 -4.96 113.70 118.45 1kqg s SER 679 Ca 0.69 1.80 0.12 0.00 0.48 0.00 0.00 55.95 59.05 1kqg s SER 679 Cb -0.49 -2.54 0.39 0.00 0.10 0.00 0.00 66.02 63.48 1kqg s SER 679 CO 0.40 -0.68 1.02 1.87 0.98 0.00 0.00 173.24 176.83 1kqg n TRP 680 N -1.08 -0.60 -1.22 5.02 -0.00 -1.26 -5.01 117.44 113.29 1kqg n TRP 680 Ca 0.08 -2.73 -0.35 0.00 -0.00 0.00 0.00 57.50 54.50 1kqg n TRP 680 Cb 0.53 0.41 -0.02 0.00 -0.00 0.00 0.00 31.31 32.23 1kqg n TRP 680 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1kqg n ASN 681 N -0.04 6.39 -4.70 5.87 5.15 -1.26 -4.83 115.26 121.84 1kqg n ASN 681 Ca 0.10 -2.56 -0.30 0.00 -0.60 0.00 0.00 54.58 51.21 1kqg n ASN 681 Cb 0.77 -1.42 -0.08 0.00 -0.53 0.00 0.00 39.78 38.52 1kqg n ASN 681 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1kqg s TYR 682 N 2.91 3.02 0.32 1.20 2.02 -1.26 -5.03 117.35 120.53 1kqg s TYR 682 Ca 0.57 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 57.27 1kqg s TYR 682 Cb 0.15 -1.56 0.53 0.00 -0.40 0.00 0.00 41.96 40.68 1kqg s TYR 682 CO -0.04 0.48 1.95 0.87 -1.57 0.00 0.00 175.55 177.24 1kqg h LYS 683 N 3.50 0.88 -4.56 -0.62 1.57 -1.91 -3.25 116.57 112.18 1kqg h LYS 683 Ca -0.48 -0.09 -0.67 0.00 -1.87 0.00 0.00 60.65 57.54 1kqg h LYS 683 Cb 1.17 -0.18 -0.38 0.00 0.08 0.00 0.00 32.23 32.92 1kqg h LYS 683 CO 0.60 0.64 -0.64 -0.65 -0.57 0.00 0.00 179.45 178.83 1kqg s GLN 684 N -5.61 1.72 0.56 3.15 -0.21 -1.26 -5.00 119.66 113.01 1kqg s GLN 684 Ca -0.10 -1.88 0.26 0.00 0.02 0.00 0.00 55.36 53.66 1kqg s GLN 684 Cb 0.17 -3.37 1.51 0.00 1.00 0.00 0.00 33.01 32.32 1kqg s GLN 684 CO 0.78 -1.00 2.05 -1.35 -2.12 0.00 0.00 175.29 173.65 1kqg h PRO 685 N 7.76 0.00 -0.00 2.91 0.11 -1.88 0.29 132.00 141.19 1kqg h PRO 685 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1kqg h PRO 685 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1kqg h PRO 685 CO 0.60 0.00 -0.12 0.72 -0.21 0.00 0.00 178.00 178.98 1kqg n HIS 686 N -4.06 0.00 -3.10 0.65 8.25 -1.26 -4.43 115.22 111.27 1kqg n HIS 686 Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.31 1kqg n HIS 686 Cb 0.42 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 1kqg n HIS 686 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1kqg n GLU 687 N -1.06 0.61 -1.91 -0.41 1.02 0.08 -4.49 120.64 114.48 1kqg n GLU 687 Ca 0.13 -2.80 -0.41 0.00 -0.02 0.00 0.00 57.16 54.05 1kqg n GLU 687 Cb 0.29 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 1kqg n GLU 687 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1kqg s PRO 688 N -0.39 4.21 0.15 3.49 0.02 -1.17 -4.45 135.00 136.86 1kqg s PRO 688 Ca 0.34 2.41 -0.10 0.00 0.02 0.00 0.00 61.00 63.67 1kqg s PRO 688 Cb 0.15 -3.08 -0.06 0.00 0.02 0.00 0.00 34.50 31.52 1kqg s PRO 688 CO -0.15 -0.52 0.47 -0.65 -0.33 0.00 0.00 177.00 175.82 1kqg s GLN 689 N -0.32 3.80 0.17 5.54 -1.52 -1.26 -4.88 119.66 121.18 1kqg s GLN 689 Ca 0.62 0.23 -0.15 0.00 -1.95 0.00 0.00 55.36 54.11 1kqg s GLN 689 Cb -0.44 -2.86 0.10 0.00 -0.22 0.00 0.00 33.01 29.59 1kqg s GLN 689 CO 0.44 0.46 1.76 0.77 -0.25 0.00 0.00 175.29 178.47 1kqg h SER 690 N 3.20 0.19 -0.52 5.90 0.02 -1.94 -1.69 113.55 118.70 1kqg h SER 690 Ca -0.48 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1kqg h SER 690 Cb 1.18 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1kqg h SER 690 CO 0.68 0.14 0.35 -2.24 -1.14 0.00 0.00 176.83 174.62 1kqg h ASP 691 N 0.34 0.56 0.00 3.07 2.03 -1.95 -0.01 116.42 120.46 1kqg h ASP 691 Ca 0.19 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.48 1kqg h ASP 691 Cb 0.17 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1kqg h ASP 691 CO -0.19 0.40 -0.00 -0.33 -1.03 0.00 0.00 179.24 178.09 1kqg h GLU 692 N 0.66 -0.00 -0.53 4.15 5.08 -1.72 -2.22 114.58 119.99 1kqg h GLU 692 Ca 0.20 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1kqg h GLU 692 Cb -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1kqg h GLU 692 CO -0.05 0.25 0.12 0.28 -1.00 0.00 0.00 179.01 178.61 1kqg h VAL 693 N -0.25 1.25 -0.79 3.13 2.07 -1.28 -1.74 116.25 118.64 1kqg h VAL 693 Ca -0.00 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1kqg h VAL 693 Cb 0.25 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1kqg h VAL 693 CO 0.00 0.32 0.50 0.00 0.02 0.00 0.00 177.57 178.41 1kqg h ALA 694 N 1.00 1.05 -0.69 1.67 0.00 -0.97 -1.18 119.26 120.14 1kqg h ALA 694 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1kqg h ALA 694 Cb 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1kqg h ALA 694 CO 0.00 0.28 0.21 0.87 0.00 0.00 0.00 179.25 180.61 1kqg h LYS 695 N 0.95 1.05 -0.44 0.00 1.57 -1.17 -0.47 116.57 118.06 1kqg h LYS 695 Ca 0.33 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1kqg h LYS 695 Cb 0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1kqg h LYS 695 CO -0.13 0.90 0.19 0.93 -0.57 0.00 0.00 179.45 180.78 1kqg h GLU 696 N 1.01 0.65 -0.55 3.15 5.08 -0.77 -0.77 114.58 122.39 1kqg h GLU 696 Ca 0.22 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1kqg h GLU 696 Cb 0.29 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1kqg h GLU 696 CO -0.01 0.58 0.36 -0.91 -1.00 0.00 0.00 179.01 178.03 1kqg h ASN 697 N 0.58 0.60 0.65 1.42 2.35 -0.72 -2.39 115.58 118.07 1kqg h ASN 697 Ca 0.15 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1kqg h ASN 697 Cb 0.16 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1kqg h ASN 697 CO -0.02 0.43 -0.38 -1.13 -1.65 0.00 0.00 177.43 174.69 1kqg h ASN 698 N 0.72 -0.94 -5.00 5.81 -1.24 -0.92 -3.26 115.58 110.75 1kqg h ASN 698 Ca 0.21 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.27 1kqg h ASN 698 Cb -0.04 0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1kqg h ASN 698 CO -0.07 -0.60 0.00 0.61 -1.29 0.00 0.00 177.43 176.08 1kqg n GLY 699 N -1.52 2.95 3.16 1.57 0.00 -0.31 -4.15 105.19 106.89 1kqg n GLY 699 Ca -0.13 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 1kqg n GLY 699 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kqg s TYR 700 N -2.75 1.01 -0.19 1.61 1.51 0.22 -0.99 117.35 117.78 1kqg s TYR 700 Ca 0.00 -0.63 -0.23 0.00 -1.01 0.00 0.00 57.07 55.20 1kqg s TYR 700 Cb 0.00 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.27 1kqg s TYR 700 CO 0.00 -0.01 0.75 0.00 -1.11 0.00 0.00 175.55 175.18 1kqg s ALA 701 N -2.23 3.54 -1.27 3.71 0.00 -0.30 -1.47 121.76 123.73 1kqg s ALA 701 Ca 0.03 -0.10 0.24 0.00 0.00 0.00 0.00 51.96 52.12 1kqg s ALA 701 Cb -0.04 -3.13 0.26 0.00 0.00 0.00 0.00 23.12 20.21 1kqg s ALA 701 CO 0.00 -0.63 1.24 1.28 0.00 0.00 0.00 175.76 177.65 1kqg n LEU 702 N 5.22 0.95 -3.92 0.00 4.77 0.20 0.04 117.00 124.26 1kqg n LEU 702 Ca 0.02 -0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 1kqg n LEU 702 Cb 0.49 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1kqg n LEU 702 CO 0.46 0.21 -0.09 -1.61 -1.33 0.00 0.00 177.39 175.03 1kqg s GLU 703 N -2.84 0.95 0.41 3.23 0.41 -1.24 -4.73 118.70 114.89 1kqg s GLU 703 Ca 0.13 -1.07 -0.27 0.00 -0.41 0.00 0.00 54.97 53.36 1kqg s GLU 703 Cb 0.17 0.34 -0.10 0.00 -1.78 0.00 0.00 34.13 32.77 1kqg s GLU 703 CO 0.70 -0.32 1.44 -0.51 -0.49 0.00 0.00 175.26 176.08 1kqg s ASP 704 N -2.91 6.15 -0.03 -0.19 1.01 -1.26 -3.76 116.67 115.67 1kqg s ASP 704 Ca 0.10 2.95 0.06 0.00 0.71 0.00 0.00 52.55 56.38 1kqg s ASP 704 Cb 0.05 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1kqg s ASP 704 CO -0.06 -0.99 -0.22 -0.76 0.21 0.00 0.00 175.17 173.34 1kqg s LEU 705 N -2.38 2.03 0.05 1.23 1.43 0.54 -4.88 118.68 116.70 1kqg s LEU 705 Ca 0.56 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 1kqg s LEU 705 Cb -0.44 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1kqg s LEU 705 CO 0.59 0.25 -0.21 -0.31 0.23 0.00 0.00 176.35 176.89 1kqg s TYR 706 N -0.34 1.86 0.70 0.29 1.51 -1.26 0.32 117.35 120.43 1kqg s TYR 706 Ca 0.04 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.59 1kqg s TYR 706 Cb -0.10 -1.10 0.16 0.00 -0.11 0.00 0.00 41.96 40.81 1kqg s TYR 706 CO 0.01 0.11 0.94 -0.40 -1.11 0.00 0.00 175.55 175.10 1kqg n ASP 707 N 1.74 0.01 0.29 2.29 5.75 -0.23 -4.87 116.55 121.54 1kqg n ASP 707 Ca -0.17 -1.33 0.19 0.00 -0.01 0.00 0.00 54.79 53.47 1kqg n ASP 707 Cb 0.53 -0.72 0.84 0.00 -1.03 0.00 0.00 41.12 40.73 1kqg n ASP 707 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kqg h ALA 708 N -1.88 1.00 -0.05 2.12 0.00 -2.01 -2.35 119.26 116.09 1kqg h ALA 708 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1kqg h ALA 708 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1kqg h ALA 708 CO 0.22 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.56 1kqg n ASN 709 N -3.07 1.47 0.00 0.00 3.02 -1.26 -4.91 115.26 110.52 1kqg n ASN 709 Ca -0.00 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 1kqg n ASN 709 Cb 0.24 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1kqg n ASN 709 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kqg n GLY 710 N 1.16 0.67 3.71 7.41 0.00 -0.89 -5.06 105.19 112.19 1kqg n GLY 710 Ca 0.18 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1kqg n GLY 710 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kqg s VAL 711 N -2.00 5.11 0.14 1.61 1.01 -1.26 -4.83 120.40 120.19 1kqg s VAL 711 Ca 0.00 1.18 -0.32 0.00 0.00 0.00 0.00 61.98 62.83 1kqg s VAL 711 Cb 0.00 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 1kqg s VAL 711 CO 0.00 0.27 1.74 -0.11 0.00 0.00 0.00 175.10 177.00 1kqg n LEU 712 N 3.92 3.75 -0.07 3.92 7.94 -1.26 -1.06 117.00 134.13 1kqg n LEU 712 Ca -0.04 1.03 -0.05 0.00 -1.11 0.00 0.00 56.01 55.85 1kqg n LEU 712 Cb 0.51 -1.51 -0.14 0.00 0.53 0.00 0.00 43.42 42.81 1kqg n LEU 712 CO 0.45 0.04 -1.00 2.30 -1.11 0.00 0.00 177.39 178.07 1kqg n ILE 713 N 4.19 0.95 -3.57 1.96 -5.35 0.15 -4.87 119.36 112.80 1kqg n ILE 713 Ca 0.17 -0.68 -0.16 0.00 -0.27 0.00 0.00 62.75 61.81 1kqg n ILE 713 Cb 0.34 -0.40 -0.07 0.00 -1.74 0.00 0.00 39.64 37.77 1kqg n ILE 713 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kqg s ALA 714 N -2.63 -1.68 0.23 -1.28 0.00 -1.04 -4.99 121.76 110.37 1kqg s ALA 714 Ca -0.08 1.44 -0.06 0.00 0.00 0.00 0.00 51.96 53.26 1kqg s ALA 714 Cb 0.07 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1kqg s ALA 714 CO 0.74 -0.35 0.50 0.15 0.00 0.00 0.00 175.76 176.80 1kqg s LYS 715 N -0.71 3.67 -0.00 0.00 1.02 -1.26 -0.34 119.74 122.11 1kqg s LYS 715 Ca -0.08 0.03 -0.37 0.00 0.02 0.00 0.00 55.97 55.57 1kqg s LYS 715 Cb -0.02 -2.71 -0.16 0.00 -0.52 0.00 0.00 37.83 34.42 1kqg s LYS 715 CO 0.07 0.32 1.44 1.17 -0.92 0.00 0.00 175.35 177.43 1kqg n LYS 716 N -0.45 1.17 0.00 1.68 4.81 -1.25 -1.61 118.16 122.51 1kqg n LYS 716 Ca -0.01 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1kqg n LYS 716 Cb 0.53 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1kqg n LYS 716 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kqg n GLY 717 N 2.95 2.30 3.85 3.14 0.00 0.11 -4.93 105.19 112.61 1kqg n GLY 717 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1kqg n GLY 717 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kqg s GLN 718 N -0.86 3.95 0.27 1.61 -0.21 -0.63 -4.81 119.66 118.98 1kqg s GLN 718 Ca 0.00 0.76 -0.29 0.00 0.02 0.00 0.00 55.36 55.84 1kqg s GLN 718 Cb 0.00 -2.29 -0.09 0.00 1.00 0.00 0.00 33.01 31.62 1kqg s GLN 718 CO 0.00 -0.06 1.14 -0.51 -2.12 0.00 0.00 175.29 173.74 1kqg s LEU 719 N -3.61 4.52 0.53 2.90 1.43 -1.26 -1.15 118.68 122.04 1kqg s LEU 719 Ca 0.56 2.32 -0.19 0.00 -1.03 0.00 0.00 54.13 55.79 1kqg s LEU 719 Cb -0.10 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 1kqg s LEU 719 CO 0.25 -0.23 1.06 -0.76 0.23 0.00 0.00 176.35 176.91 1kqg s LEU 720 N -1.30 3.73 0.00 1.79 1.43 -0.16 -4.31 118.68 119.86 1kqg s LEU 720 Ca 0.46 1.95 0.17 0.00 -1.03 0.00 0.00 54.13 55.68 1kqg s LEU 720 Cb -0.33 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.22 1kqg s LEU 720 CO 0.42 -0.99 0.78 -1.54 0.23 0.00 0.00 176.35 175.25 1kqg n SER 721 N -1.34 1.14 -3.53 2.29 3.41 -1.26 -4.17 113.62 110.17 1kqg n SER 721 Ca 0.10 -1.07 -0.18 0.00 -0.26 0.00 0.00 58.87 57.46 1kqg n SER 721 Cb 0.52 0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 65.21 1kqg n SER 721 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kqg s SER 722 N -2.36 -0.66 0.52 4.04 0.15 -1.26 -4.19 113.70 109.93 1kqg s SER 722 Ca 0.09 0.77 0.35 0.00 0.70 0.00 0.00 55.95 57.86 1kqg s SER 722 Cb 0.13 0.61 1.69 0.00 -1.71 0.00 0.00 66.02 66.74 1kqg s SER 722 CO 0.59 -0.58 2.04 2.19 1.20 0.00 0.00 173.24 178.68 1kqg h PHE 723 N 3.15 0.00 -0.10 3.44 -5.15 -1.82 -1.80 116.94 114.66 1kqg h PHE 723 Ca -0.27 0.00 0.03 0.00 -0.20 0.00 0.00 57.97 57.53 1kqg h PHE 723 Cb 1.14 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.31 1kqg h PHE 723 CO 0.38 0.00 0.15 0.00 -2.00 0.00 0.00 178.31 176.84 1kqg h ALA 724 N 2.04 1.54 -0.01 12.09 0.00 -1.95 -0.77 119.26 132.19 1kqg h ALA 724 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kqg h ALA 724 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1kqg h ALA 724 CO 0.00 -0.20 -0.22 0.72 0.00 0.00 0.00 179.25 179.55 1kqg n HIS 725 N -3.54 0.00 -2.18 0.00 8.25 -0.68 -4.92 115.22 112.16 1kqg n HIS 725 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1kqg n HIS 725 Cb 0.25 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 1kqg n HIS 725 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1kqg s LEU 726 N -2.32 4.44 0.26 2.41 1.43 -0.30 -4.96 118.68 119.64 1kqg s LEU 726 Ca 0.27 2.58 0.11 0.00 -1.03 0.00 0.00 54.13 56.06 1kqg s LEU 726 Cb 0.19 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1kqg s LEU 726 CO 0.46 -0.48 -0.20 -0.13 0.23 0.00 0.00 176.35 176.24 1kqg s ARG 727 N -1.43 1.62 -0.19 1.70 0.52 -1.26 -4.92 118.95 115.00 1kqg s ARG 727 Ca 0.50 -1.72 0.14 0.00 -0.52 0.00 0.00 55.73 54.13 1kqg s ARG 727 Cb -0.38 -1.71 0.74 0.00 0.52 0.00 0.00 34.95 34.11 1kqg s ARG 727 CO 0.48 0.33 1.63 -0.40 0.02 0.00 0.00 175.30 177.36 1kqg n ASP 728 N -0.47 5.12 -0.83 0.23 5.68 -1.26 -4.28 116.55 120.75 1kqg n ASP 728 Ca -0.06 -2.73 0.08 0.00 -0.50 0.00 0.00 54.79 51.57 1kqg n ASP 728 Cb 0.59 -0.64 0.23 0.00 -1.14 0.00 0.00 41.12 40.16 1kqg n ASP 728 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1kqg n ASP 729 N 0.72 3.60 0.00 -1.12 5.68 -1.26 -4.91 116.55 119.26 1kqg n ASP 729 Ca 0.25 -2.67 0.00 0.00 -0.50 0.00 0.00 54.79 51.87 1kqg n ASP 729 Cb 1.04 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1kqg n ASP 729 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kqg n GLY 730 N -0.14 0.82 0.45 6.12 0.00 -1.26 -4.92 105.19 106.26 1kqg n GLY 730 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1kqg n GLY 730 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kqg n THR 731 N -2.15 0.00 -4.16 2.61 -2.24 -1.26 -4.90 114.28 102.18 1kqg n THR 731 Ca 0.00 -0.24 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 1kqg n THR 731 Cb 0.00 0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 1kqg n THR 731 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kqg s THR 732 N -2.19 0.93 0.06 4.28 -4.23 -1.26 -0.63 115.64 112.60 1kqg s THR 732 Ca 0.32 -1.17 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1kqg s THR 732 Cb 0.20 -0.91 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 1kqg s THR 732 CO 0.40 -0.23 -0.18 0.00 -0.54 0.00 0.00 174.62 174.07 1kqg s ALA 733 N -1.22 1.54 -0.30 3.99 0.00 -0.54 -4.25 121.76 120.99 1kqg s ALA 733 Ca -0.04 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1kqg s ALA 733 Cb -0.10 -0.24 0.13 0.00 0.00 0.00 0.00 23.12 22.91 1kqg s ALA 733 CO 0.02 0.31 0.74 0.45 0.00 0.00 0.00 175.76 177.27 1kqg s SER 734 N -1.44 -0.97 -0.01 0.00 0.15 -1.09 -0.61 113.70 109.73 1kqg s SER 734 Ca 0.04 1.38 0.06 0.00 0.70 0.00 0.00 55.95 58.13 1kqg s SER 734 Cb -0.09 1.94 0.20 0.00 -1.71 0.00 0.00 66.02 66.35 1kqg s SER 734 CO 0.02 -0.20 1.10 -1.54 1.20 0.00 0.00 173.24 173.82 1kqg n SER 735 N 5.02 1.36 -2.82 5.45 3.41 -0.92 -3.52 113.62 121.60 1kqg n SER 735 Ca -0.14 -2.05 -0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1kqg n SER 735 Cb 0.52 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1kqg n SER 735 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kqg h TRP 737 N 5.34 0.19 0.00 0.00 5.08 -1.80 -0.98 115.95 123.77 1kqg h TRP 737 Ca -0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1kqg h TRP 737 Cb 1.19 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 27.29 1kqg h TRP 737 CO -0.03 0.08 0.00 0.44 -1.28 0.00 0.00 178.44 177.65 1kqg n ILE 738 N -4.43 0.44 0.85 0.12 -5.35 -1.26 -2.16 119.36 107.57 1kqg n ILE 738 Ca 0.10 0.11 0.12 0.00 -0.27 0.00 0.00 62.75 62.81 1kqg n ILE 738 Cb 0.50 -0.73 0.25 0.00 -1.74 0.00 0.00 39.64 37.92 1kqg n ILE 738 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1kqg n TYR 739 N -1.45 0.23 -2.20 4.28 4.02 -0.37 -4.52 117.16 117.15 1kqg n TYR 739 Ca 0.07 -0.11 -0.43 0.00 -0.01 0.00 0.00 57.90 57.41 1kqg n TYR 739 Cb 0.24 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.54 1kqg n TYR 739 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1kqg s THR 740 N -1.77 3.90 0.00 -0.72 2.01 -0.92 -1.65 115.64 116.48 1kqg s THR 740 Ca 0.34 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.42 1kqg s THR 740 Cb 0.21 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1kqg s THR 740 CO 0.30 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1kqg n GLY 741 N 3.97 1.76 0.19 4.40 0.00 -1.26 -4.28 105.19 109.97 1kqg n GLY 741 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 1kqg n GLY 741 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kqg h SER 742 N 0.00 0.38 -2.23 1.61 4.64 -1.65 -3.40 113.55 112.91 1kqg h SER 742 Ca 0.00 -0.21 -0.44 0.00 -0.47 0.00 0.00 61.79 60.67 1kqg h SER 742 Cb 0.00 -0.11 -0.34 0.00 -0.31 0.00 0.00 62.40 61.64 1kqg h SER 742 CO 0.00 0.87 -0.73 0.86 -0.87 0.00 0.00 176.83 176.96 1kqg s TRP 743 N -3.86 0.02 0.00 4.77 -0.11 -1.26 -0.77 118.94 117.73 1kqg s TRP 743 Ca -0.05 -0.97 0.00 0.00 1.22 0.00 0.00 56.10 56.30 1kqg s TRP 743 Cb 0.12 -0.60 0.00 0.00 -1.50 0.00 0.00 33.47 31.49 1kqg s TRP 743 CO 0.81 -0.91 0.00 0.25 -4.62 0.00 0.00 176.95 172.48 1kqg n THR 744 N 4.41 0.00 0.38 5.86 -2.24 -1.13 -4.80 114.28 116.76 1kqg n THR 744 Ca 0.08 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.99 1kqg n THR 744 Cb 0.43 -0.78 0.52 0.00 -2.10 0.00 0.00 70.33 68.40 1kqg n THR 744 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1kqg h GLU 745 N 0.00 0.00 -0.00 -0.78 4.39 -1.86 -0.85 114.58 115.48 1kqg h GLU 745 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1kqg h GLU 745 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1kqg h GLU 745 CO 0.00 0.00 -0.23 1.04 -1.16 0.00 0.00 179.01 178.66 1kqg n GLN 746 N -2.37 0.14 0.00 2.33 1.13 -1.26 -5.04 117.38 112.31 1kqg n GLN 746 Ca 0.02 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1kqg n GLN 746 Cb 0.24 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1kqg n GLN 746 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kqg n GLY 747 N 1.46 -0.30 3.55 1.08 0.00 -0.33 -4.92 105.19 105.74 1kqg n GLY 747 Ca 0.08 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 1kqg n GLY 747 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kqg s ASN 748 N -2.11 5.24 0.30 1.61 2.47 -1.26 -2.83 114.94 118.36 1kqg s ASN 748 Ca 0.00 0.48 0.25 0.00 0.42 0.00 0.00 52.86 54.02 1kqg s ASN 748 Cb 0.00 -2.53 1.01 0.00 -1.45 0.00 0.00 41.25 38.28 1kqg s ASN 748 CO 0.00 -2.37 1.76 1.56 -3.72 0.00 0.00 177.10 174.32 1kqg h GLN 749 N 15.22 0.00 0.00 0.43 1.08 -1.26 -2.73 115.11 127.86 1kqg h GLN 749 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1kqg h GLN 749 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1kqg h GLN 749 CO 1.20 0.00 0.00 -1.33 -0.95 0.00 0.00 178.83 177.75 1kqg n MET 750 N -2.38 0.14 -0.10 1.46 2.81 -1.24 -2.42 117.12 115.40 1kqg n MET 750 Ca 0.02 0.20 0.12 0.00 -1.81 0.00 0.00 57.70 56.24 1kqg n MET 750 Cb 0.27 -1.69 0.18 0.00 -0.71 0.00 0.00 33.22 31.27 1kqg n MET 750 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kqg n ALA 751 N -1.67 2.45 -1.91 3.04 0.00 -1.03 -1.83 120.51 119.56 1kqg n ALA 751 Ca 0.05 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 1kqg n ALA 751 Cb 0.33 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 1kqg n ALA 751 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1kqg s ASN 752 N -1.72 6.62 -0.29 0.00 0.01 -1.01 -4.86 114.94 113.69 1kqg s ASN 752 Ca 0.34 2.64 0.13 0.00 -0.71 0.00 0.00 52.86 55.26 1kqg s ASN 752 Cb 0.21 -2.61 0.47 0.00 0.41 0.00 0.00 41.25 39.74 1kqg s ASN 752 CO 0.31 -0.77 1.15 0.54 -1.51 0.00 0.00 177.10 176.82 1kqg n ARG 753 N 3.16 2.90 -3.19 -0.60 1.74 -1.23 -0.21 116.66 119.24 1kqg n ARG 753 Ca 0.10 -3.94 -0.44 0.00 -0.77 0.00 0.00 57.85 52.81 1kqg n ARG 753 Cb 0.39 -2.02 -0.07 0.00 -1.02 0.00 0.00 32.46 29.74 1kqg n ARG 753 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1kqg s ASP 754 N -3.65 6.23 -0.15 0.55 -1.08 -0.55 -4.94 116.67 113.08 1kqg s ASP 754 Ca 0.42 -0.81 0.07 0.00 -0.52 0.00 0.00 52.55 51.71 1kqg s ASP 754 Cb 0.38 -2.28 0.45 0.00 -1.46 0.00 0.00 42.92 40.02 1kqg s ASP 754 CO 0.00 -0.81 1.25 -0.46 0.52 0.00 0.00 175.17 175.67 1kqg n ASN 755 N 6.04 3.65 -4.75 -0.34 0.23 -1.26 -2.66 115.26 116.17 1kqg n ASN 755 Ca -0.06 -2.58 -0.42 0.00 -0.53 0.00 0.00 54.58 50.99 1kqg n ASN 755 Cb 0.46 -0.62 -0.01 0.00 -2.08 0.00 0.00 39.78 37.53 1kqg n ASN 755 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1kqg n SER 756 N 0.25 3.68 -3.34 0.53 7.64 -1.26 -4.91 113.62 116.21 1kqg n SER 756 Ca 0.18 1.18 -0.26 0.00 1.01 0.00 0.00 58.87 60.99 1kqg n SER 756 Cb 0.84 -1.59 -0.08 0.00 -1.01 0.00 0.00 64.21 62.37 1kqg n SER 756 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1kqg n ASP 757 N 1.39 1.25 -0.29 6.43 2.03 -1.26 -4.42 116.55 121.66 1kqg n ASP 757 Ca 0.06 -2.88 0.12 0.00 0.52 0.00 0.00 54.79 52.60 1kqg n ASP 757 Cb 0.37 -0.64 0.36 0.00 -0.72 0.00 0.00 41.12 40.49 1kqg n ASP 757 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1kqg h PRO 758 N 4.41 0.71 0.00 -0.67 0.11 -1.94 -2.18 132.00 132.44 1kqg h PRO 758 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1kqg h PRO 758 Cb 0.82 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1kqg h PRO 758 CO 0.57 0.47 0.00 0.66 -0.21 0.00 0.00 178.00 179.49 1kqg h SER 759 N 0.73 0.00 0.00 -2.05 4.64 -1.95 -3.47 113.55 111.45 1kqg h SER 759 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1kqg h SER 759 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1kqg h SER 759 CO -0.23 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.34 1kqg n GLY 760 N 0.87 1.27 0.33 -0.77 0.00 -0.82 -4.88 105.19 101.19 1kqg n GLY 760 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1kqg n GLY 760 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kqg n LEU 761 N 0.00 1.01 -0.06 0.99 4.77 -1.26 -4.89 117.00 117.56 1kqg n LEU 761 Ca 0.00 -0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 55.60 1kqg n LEU 761 Cb 0.00 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1kqg n LEU 761 CO 0.00 0.19 -0.01 0.61 -1.33 0.00 0.00 177.39 176.85 1kqg n GLY 762 N 1.07 0.46 3.59 -0.72 0.00 -1.26 -4.56 105.19 103.76 1kqg n GLY 762 Ca 0.18 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1kqg n GLY 762 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kqg s ASN 763 N -2.76 6.50 -0.70 1.61 2.47 -1.26 -4.58 114.94 116.21 1kqg s ASN 763 Ca 0.00 0.34 0.02 0.00 0.42 0.00 0.00 52.86 53.64 1kqg s ASN 763 Cb 0.00 -2.35 0.17 0.00 -1.45 0.00 0.00 41.25 37.62 1kqg s ASN 763 CO 0.00 -0.57 0.50 0.42 -3.72 0.00 0.00 177.10 173.73 1kqg s THR 764 N 2.75 3.24 -0.54 -5.21 -4.23 -1.26 -4.35 115.64 106.04 1kqg s THR 764 Ca 0.27 -3.86 0.16 0.00 -1.18 0.00 0.00 61.69 57.08 1kqg s THR 764 Cb -0.14 -3.11 0.16 0.00 1.34 0.00 0.00 72.50 70.75 1kqg s THR 764 CO 0.14 -0.97 1.50 0.18 -0.54 0.00 0.00 174.62 174.93 1kqg n LEU 765 N 2.44 0.40 -0.94 4.79 4.77 -1.26 -2.32 117.00 124.87 1kqg n LEU 765 Ca 0.16 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 56.91 1kqg n LEU 765 Cb 0.35 -0.66 0.19 0.00 -2.33 0.00 0.00 43.42 40.97 1kqg n LEU 765 CO 0.31 -0.68 0.68 0.61 -1.33 0.00 0.00 177.39 176.99 1kqg n GLY 766 N -0.88 1.04 3.48 -0.72 0.00 -1.25 -4.85 105.19 102.01 1kqg n GLY 766 Ca 0.00 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 1kqg n GLY 766 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1kqg s TRP 767 N -1.87 3.22 0.00 1.61 -0.11 -0.98 -1.48 118.94 119.32 1kqg s TRP 767 Ca 0.32 -0.44 0.00 0.00 1.22 0.00 0.00 56.10 57.20 1kqg s TRP 767 Cb 0.21 -2.45 0.00 0.00 -1.50 0.00 0.00 33.47 29.73 1kqg s TRP 767 CO 0.31 -0.44 0.00 0.00 -4.62 0.00 0.00 176.95 172.19 1kqg n ALA 768 N 5.06 0.00 -3.76 5.86 0.00 0.71 -4.81 120.51 123.58 1kqg n ALA 768 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1kqg n ALA 768 Cb 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.78 1kqg n ALA 768 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1kqg s TRP 769 N 0.00 -0.02 0.11 0.00 -0.00 -1.16 -4.71 118.94 113.16 1kqg s TRP 769 Ca 0.00 0.23 0.03 0.00 -0.00 0.00 0.00 56.10 56.35 1kqg s TRP 769 Cb 0.00 -0.21 -0.04 0.00 -0.00 0.00 0.00 33.47 33.23 1kqg s TRP 769 CO 0.00 -0.11 0.18 0.00 -0.00 0.00 0.00 176.95 177.02 1kqg s ALA 770 N 1.14 3.79 0.03 5.86 0.00 -1.26 -0.09 121.76 131.23 1kqg s ALA 770 Ca -0.09 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 1kqg s ALA 770 Cb -0.13 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1kqg s ALA 770 CO -0.04 0.66 0.17 1.67 0.00 0.00 0.00 175.76 178.22 1kqg s TRP 771 N -1.60 3.46 -0.03 0.00 1.48 -0.83 0.05 118.94 121.46 1kqg s TRP 771 Ca 0.33 0.26 -0.12 0.00 -1.06 0.00 0.00 56.10 55.50 1kqg s TRP 771 Cb -0.12 -1.76 -0.05 0.00 -1.16 0.00 0.00 33.47 30.38 1kqg s TRP 771 CO 0.26 0.60 0.33 -1.25 -4.06 0.00 0.00 176.95 172.82 1kqg s PRO 772 N -2.20 3.78 -1.59 3.25 0.04 -1.26 -4.76 135.00 132.26 1kqg s PRO 772 Ca 0.30 0.25 -0.11 0.00 0.04 0.00 0.00 61.00 61.48 1kqg s PRO 772 Cb -0.13 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.30 1kqg s PRO 772 CO 0.22 0.72 0.63 1.28 0.04 0.00 0.00 177.00 179.89 1kqg n LEU 773 N 1.85 -1.86 -1.98 -3.56 4.77 -1.25 -1.83 117.00 113.14 1kqg n LEU 773 Ca -0.16 -1.02 -0.18 0.00 -0.03 0.00 0.00 56.01 54.63 1kqg n LEU 773 Cb 0.53 -2.12 -0.04 0.00 -2.33 0.00 0.00 43.42 39.46 1kqg n LEU 773 CO 0.36 0.35 -0.20 -3.20 -1.33 0.00 0.00 177.39 173.37 1kqg n ASN 774 N -2.78 -4.88 -4.62 -1.43 5.15 0.11 -4.93 115.26 101.88 1kqg n ASN 774 Ca -0.08 0.24 -0.43 0.00 -0.60 0.00 0.00 54.58 53.72 1kqg n ASN 774 Cb 0.57 -4.23 -0.02 0.00 -0.53 0.00 0.00 39.78 35.57 1kqg n ASN 774 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1kqg s ARG 775 N -4.29 3.78 0.08 1.20 0.52 -0.76 -4.51 118.95 114.98 1kqg s ARG 775 Ca 0.00 1.04 0.12 0.00 -0.52 0.00 0.00 55.73 56.37 1kqg s ARG 775 Cb 0.00 -3.93 -0.16 0.00 0.52 0.00 0.00 34.95 31.39 1kqg s ARG 775 CO 0.00 -1.30 1.01 0.00 0.02 0.00 0.00 175.30 175.04 1kqg h ARG 776 N 9.70 0.00 -4.78 3.54 2.47 -1.90 -3.40 114.38 120.01 1kqg h ARG 776 Ca -0.26 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.80 1kqg h ARG 776 Cb 1.09 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 29.03 1kqg h ARG 776 CO 1.06 0.61 -0.76 0.08 0.56 0.00 0.00 179.97 181.52 1kqg s VAL 777 N -2.76 2.20 0.61 2.04 1.01 -1.26 -4.43 120.40 117.81 1kqg s VAL 777 Ca -0.01 -1.95 -0.18 0.00 0.00 0.00 0.00 61.98 59.84 1kqg s VAL 777 Cb 0.09 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1kqg s VAL 777 CO 0.81 -0.29 1.20 -0.76 0.00 0.00 0.00 175.10 176.06 1kqg s LEU 778 N 1.02 3.62 -1.15 3.92 1.43 -0.28 -3.54 118.68 123.70 1kqg s LEU 778 Ca 0.00 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1kqg s LEU 778 Cb -0.20 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.43 1kqg s LEU 778 CO -0.06 -1.66 0.00 -1.22 0.23 0.00 0.00 176.35 173.63 1kqg n TYR 779 N -1.74 -0.50 0.56 0.29 4.02 -1.26 -4.03 117.16 114.49 1kqg n TYR 779 Ca 0.13 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.10 1kqg n TYR 779 Cb 0.50 -2.74 0.34 0.00 -0.02 0.00 0.00 39.34 37.41 1kqg n TYR 779 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1kqg n ASN 780 N -0.39 0.00 0.25 7.72 0.23 -1.23 -1.93 115.26 119.91 1kqg n ASN 780 Ca -0.15 0.42 0.09 0.00 -0.53 0.00 0.00 54.58 54.42 1kqg n ASN 780 Cb 0.58 -0.46 0.63 0.00 -2.08 0.00 0.00 39.78 38.45 1kqg n ASN 780 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1kqg h ARG 781 N 0.00 0.00 0.00 -3.83 9.65 -1.84 -0.97 114.38 117.39 1kqg h ARG 781 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1kqg h ARG 781 Cb 0.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1kqg h ARG 781 CO 0.00 0.15 0.00 0.00 2.80 0.00 0.00 179.97 182.92 1kqg n ALA 782 N -2.38 2.24 1.47 2.80 0.00 -0.81 -2.55 120.51 121.28 1kqg n ALA 782 Ca -0.02 -0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.44 1kqg n ALA 782 Cb 0.24 -1.33 0.69 0.00 0.00 0.00 0.00 19.45 19.04 1kqg n ALA 782 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1kqg n SER 783 N -1.04 0.29 -4.33 0.00 3.41 -0.37 -4.75 113.62 106.83 1kqg n SER 783 Ca 0.15 -0.49 -0.19 0.00 -0.26 0.00 0.00 58.87 58.08 1kqg n SER 783 Cb 0.08 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 1kqg n SER 783 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kqg s ALA 784 N -2.45 1.93 0.97 7.33 0.00 -1.06 -1.56 121.76 126.93 1kqg s ALA 784 Ca 0.31 -1.60 -0.06 0.00 0.00 0.00 0.00 51.96 50.61 1kqg s ALA 784 Cb 0.20 -0.09 0.09 0.00 0.00 0.00 0.00 23.12 23.32 1kqg s ALA 784 CO 0.46 0.08 0.51 -0.40 0.00 0.00 0.00 175.76 176.41 1kqg n ASP 785 N -0.20 0.07 0.26 0.00 5.68 0.67 -4.82 116.55 118.20 1kqg n ASP 785 Ca -0.09 -1.20 0.11 0.00 -0.50 0.00 0.00 54.79 53.11 1kqg n ASP 785 Cb 0.60 -0.39 0.70 0.00 -1.14 0.00 0.00 41.12 40.89 1kqg n ASP 785 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1kqg h ILE 786 N -1.25 0.67 -0.25 2.12 3.07 -1.96 -0.53 117.51 119.38 1kqg h ILE 786 Ca -0.17 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.73 1kqg h ILE 786 Cb 0.46 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 1kqg h ILE 786 CO 0.12 0.12 0.00 0.59 -1.05 0.00 0.00 178.15 177.93 1kqg n ASN 787 N -3.79 1.60 0.00 2.16 3.02 -1.26 -0.86 115.26 116.13 1kqg n ASN 787 Ca -0.02 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 1kqg n ASN 787 Cb 0.23 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1kqg n ASN 787 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kqg n GLY 788 N 1.04 0.75 3.77 7.41 0.00 -0.21 -4.88 105.19 113.07 1kqg n GLY 788 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1kqg n GLY 788 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kqg s LYS 789 N -0.29 4.16 0.33 1.61 2.20 -1.26 -4.66 119.74 121.84 1kqg s LYS 789 Ca 0.00 0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 55.71 1kqg s LYS 789 Cb 0.00 -3.35 -0.13 0.00 -1.51 0.00 0.00 37.83 32.84 1kqg s LYS 789 CO 0.00 0.38 1.14 -2.30 -0.36 0.00 0.00 175.35 174.21 1kqg n PRO 790 N 2.91 1.71 -0.16 4.03 -0.02 -1.26 -0.24 135.00 141.97 1kqg n PRO 790 Ca -0.11 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 61.96 1kqg n PRO 790 Cb 0.52 -2.09 0.21 0.00 -0.02 0.00 0.00 33.50 32.12 1kqg n PRO 790 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1kqg h TRP 791 N 2.19 0.89 -3.46 6.00 4.06 -1.59 -3.38 115.95 120.64 1kqg h TRP 791 Ca -0.43 -0.04 -0.57 0.00 2.06 0.00 0.00 58.89 59.91 1kqg h TRP 791 Cb 1.31 -0.27 -0.39 0.00 -1.00 0.00 0.00 29.16 28.81 1kqg h TRP 791 CO 0.48 0.68 -0.78 0.34 -3.56 0.00 0.00 178.44 175.60 1kqg s ASP 792 N -6.50 3.38 0.37 -3.49 -1.08 -1.26 -4.00 116.67 104.10 1kqg s ASP 792 Ca -0.10 -0.99 0.27 0.00 -0.52 0.00 0.00 52.55 51.21 1kqg s ASP 792 Cb 0.16 -0.92 1.31 0.00 -1.46 0.00 0.00 42.92 42.01 1kqg s ASP 792 CO 0.79 -0.26 1.81 1.55 0.52 0.00 0.00 175.17 179.59 1kqg h PRO 793 N 8.09 0.00 -0.00 4.34 0.13 -1.98 0.60 132.00 143.18 1kqg h PRO 793 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1kqg h PRO 793 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1kqg h PRO 793 CO 0.38 0.00 -0.05 1.63 -0.23 0.00 0.00 178.00 179.73 1kqg n LYS 794 N -2.46 0.63 -3.16 0.86 5.02 -1.26 -4.09 118.16 113.70 1kqg n LYS 794 Ca -0.00 -0.12 -0.22 0.00 -2.02 0.00 0.00 58.31 55.95 1kqg n LYS 794 Cb 0.13 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1kqg n LYS 794 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1kqg n ARG 795 N -1.08 1.60 -2.83 1.97 1.74 0.20 -5.04 116.66 113.22 1kqg n ARG 795 Ca 0.16 -3.82 -0.41 0.00 -0.77 0.00 0.00 57.85 53.00 1kqg n ARG 795 Cb 0.24 -1.78 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 1kqg n ARG 795 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1kqg s MET 796 N -2.39 4.46 -0.21 5.56 1.75 -1.24 -4.71 119.30 122.51 1kqg s MET 796 Ca 0.41 1.19 -0.06 0.00 -1.25 0.00 0.00 55.69 55.98 1kqg s MET 796 Cb 0.27 -3.49 -0.11 0.00 2.84 0.00 0.00 34.83 34.34 1kqg s MET 796 CO -0.09 -0.11 -0.24 1.28 -0.65 0.00 0.00 175.02 175.21 1kqg n LEU 797 N 4.27 2.14 -4.07 4.11 4.77 -1.26 -4.47 117.00 122.48 1kqg n LEU 797 Ca 0.04 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1kqg n LEU 797 Cb 0.50 -0.66 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 1kqg n LEU 797 CO 0.50 0.61 -0.38 0.27 -1.33 0.00 0.00 177.39 177.07 1kqg s ILE 798 N -2.40 0.38 0.03 -0.08 -4.36 -1.26 0.14 121.20 113.65 1kqg s ILE 798 Ca -0.29 -1.38 -0.21 0.00 -0.26 0.00 0.00 60.65 58.51 1kqg s ILE 798 Cb 0.10 -0.94 0.05 0.00 1.25 0.00 0.00 42.46 42.91 1kqg s ILE 798 CO 0.42 -0.66 0.49 0.00 0.24 0.00 0.00 174.94 175.43 1kqg s GLN 799 N -2.55 0.98 -0.18 0.37 -2.07 0.38 -4.86 119.66 111.74 1kqg s GLN 799 Ca -0.03 -0.22 -0.18 0.00 -1.82 0.00 0.00 55.36 53.10 1kqg s GLN 799 Cb -0.03 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 1kqg s GLN 799 CO -0.03 -0.34 0.49 -0.46 -1.32 0.00 0.00 175.29 173.62 1kqg s TRP 800 N -2.27 3.41 -1.88 9.60 -0.11 -1.26 -0.81 118.94 125.61 1kqg s TRP 800 Ca -0.06 0.78 0.20 0.00 1.22 0.00 0.00 56.10 58.24 1kqg s TRP 800 Cb -0.01 -2.62 0.49 0.00 -1.50 0.00 0.00 33.47 29.83 1kqg s TRP 800 CO -0.00 -0.02 1.41 0.27 -4.62 0.00 0.00 176.95 173.99 1kqg n ASN 801 N 4.45 3.52 0.00 5.86 6.94 -0.29 -4.91 115.26 130.83 1kqg n ASN 801 Ca -0.06 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 1kqg n ASN 801 Cb 0.51 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 1kqg n ASN 801 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kqg n GLY 802 N 1.34 2.87 0.00 4.83 0.00 -1.26 -4.80 105.19 108.16 1kqg n GLY 802 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1kqg n GLY 802 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kqg n SER 803 N 0.00 0.00 -3.85 1.61 3.41 -1.26 -5.12 113.62 108.41 1kqg n SER 803 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1kqg n SER 803 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1kqg n SER 803 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1kqg s LYS 804 N 0.00 1.22 0.01 4.33 -2.85 -1.26 -5.00 119.74 116.18 1kqg s LYS 804 Ca 0.00 -1.02 -0.19 0.00 -1.00 0.00 0.00 55.97 53.77 1kqg s LYS 804 Cb 0.00 0.43 -0.06 0.00 -2.06 0.00 0.00 37.83 36.15 1kqg s LYS 804 CO 0.00 -0.47 0.53 -1.58 0.10 0.00 0.00 175.35 173.93 1kqg s TRP 805 N -3.92 3.72 0.30 1.78 0.52 -1.26 -1.13 118.94 118.95 1kqg s TRP 805 Ca 0.12 1.15 -0.01 0.00 0.02 0.00 0.00 56.10 57.39 1kqg s TRP 805 Cb 0.02 -2.49 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 1kqg s TRP 805 CO -0.02 0.48 0.36 0.95 0.02 0.00 0.00 176.95 178.73 1kqg s THR 806 N -0.63 0.00 -5.00 2.01 -4.23 0.01 -4.83 115.64 102.97 1kqg s THR 806 Ca 0.28 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1kqg s THR 806 Cb -0.18 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1kqg s THR 806 CO 0.16 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1kqg n GLY 807 N -0.51 -0.13 0.37 3.99 0.00 -1.26 -0.47 105.19 107.18 1kqg n GLY 807 Ca 0.03 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.11 1kqg n GLY 807 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kqg n ASN 808 N 0.00 1.25 -4.18 1.61 3.02 0.12 -4.88 115.26 112.20 1kqg n ASN 808 Ca 0.00 -1.21 -0.11 0.00 -0.03 0.00 0.00 54.58 53.23 1kqg n ASN 808 Cb 0.00 0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 1kqg n ASN 808 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1kqg s ASP 809 N -2.22 0.34 0.02 6.41 2.15 -0.97 -4.93 116.67 117.47 1kqg s ASP 809 Ca 0.32 -1.27 -0.30 0.00 0.43 0.00 0.00 52.55 51.73 1kqg s ASP 809 Cb 0.20 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 43.10 1kqg s ASP 809 CO 0.41 -0.76 1.02 -0.63 -0.17 0.00 0.00 175.17 175.04 1kqg s ILE 810 N -4.05 4.70 0.17 4.11 -1.09 -1.26 -4.83 121.20 118.94 1kqg s ILE 810 Ca 0.29 1.95 -0.32 0.00 -2.23 0.00 0.00 60.65 60.35 1kqg s ILE 810 Cb 0.07 -4.25 -0.12 0.00 -1.58 0.00 0.00 42.46 36.58 1kqg s ILE 810 CO 0.06 0.16 1.75 -2.65 -1.23 0.00 0.00 174.94 173.03 1kqg n PRO 811 N 3.83 2.69 -2.32 2.79 -0.02 -1.26 -4.68 135.00 136.03 1kqg n PRO 811 Ca 0.06 0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 62.10 1kqg n PRO 811 Cb 0.50 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1kqg n PRO 811 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1kqg n ASP 812 N 4.49 5.67 -3.66 2.55 2.03 -1.26 -4.83 116.55 121.54 1kqg n ASP 812 Ca 0.17 -3.14 -0.01 0.00 0.52 0.00 0.00 54.79 52.32 1kqg n ASP 812 Cb 0.35 -1.44 -0.01 0.00 -0.72 0.00 0.00 41.12 39.29 1kqg n ASP 812 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1kqg s PHE 813 N -0.11 -0.10 0.00 -0.67 5.36 -1.26 -4.50 117.98 116.70 1kqg s PHE 813 Ca 0.41 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 1kqg s PHE 813 Cb 0.11 0.58 0.00 0.00 -0.34 0.00 0.00 43.02 43.37 1kqg s PHE 813 CO -0.01 -0.51 0.00 0.41 -1.46 0.00 0.00 175.22 173.66 1kqg n GLY 814 N -0.44 1.61 1.07 13.12 0.00 -1.26 -5.01 105.19 114.28 1kqg n GLY 814 Ca -0.07 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.30 1kqg n GLY 814 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kqg n ASN 815 N 0.00 4.04 -4.71 1.61 6.94 -1.26 -4.77 115.26 117.11 1kqg n ASN 815 Ca 0.00 -3.08 -0.42 0.00 -0.02 0.00 0.00 54.58 51.06 1kqg n ASN 815 Cb 0.00 -0.58 -0.03 0.00 -2.36 0.00 0.00 39.78 36.81 1kqg n ASN 815 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kqg n ALA 816 N -0.42 2.59 -1.66 -2.53 0.00 -1.26 -4.92 120.51 112.31 1kqg n ALA 816 Ca 0.24 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.72 1kqg n ALA 816 Cb 0.96 -2.55 0.01 0.00 0.00 0.00 0.00 19.45 17.87 1kqg n ALA 816 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kqg s ALA 817 N 1.79 2.74 0.49 0.00 0.00 -1.26 -4.97 121.76 120.55 1kqg s ALA 817 Ca 0.78 0.38 -0.22 0.00 0.00 0.00 0.00 51.96 52.90 1kqg s ALA 817 Cb -0.50 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.31 1kqg s ALA 817 CO 0.34 -0.82 1.00 -2.30 0.00 0.00 0.00 175.76 173.98 1kqg n PRO 818 N -2.07 1.24 0.00 0.00 -0.02 -1.26 -2.49 135.00 130.40 1kqg n PRO 818 Ca 0.09 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1kqg n PRO 818 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1kqg n PRO 818 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kqg n GLY 819 N 1.20 2.76 3.87 -1.23 0.00 -0.04 -4.95 105.19 106.79 1kqg n GLY 819 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1kqg n GLY 819 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kqg s THR 820 N -2.01 3.08 -1.91 2.61 -4.23 -1.04 -4.98 115.64 107.17 1kqg s THR 820 Ca 0.00 0.35 0.31 0.00 -1.18 0.00 0.00 61.69 61.17 1kqg s THR 820 Cb 0.00 -3.29 0.81 0.00 1.34 0.00 0.00 72.50 71.37 1kqg s THR 820 CO 0.00 -0.46 2.17 -0.81 -0.54 0.00 0.00 174.62 174.98 1kqg n PRO 821 N -3.18 0.91 -2.07 3.99 -0.04 -1.26 -4.89 135.00 128.47 1kqg n PRO 821 Ca 0.07 -0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 1kqg n PRO 821 Cb 0.58 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1kqg n PRO 821 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1kqg s THR 822 N -2.12 3.66 0.55 0.52 2.01 -1.23 -4.88 115.64 114.16 1kqg s THR 822 Ca 0.44 0.78 -0.17 0.00 0.31 0.00 0.00 61.69 63.05 1kqg s THR 822 Cb 0.22 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 1kqg s THR 822 CO 0.39 -0.14 1.03 -0.83 -0.69 0.00 0.00 174.62 174.38 1kqg s GLY 823 N 3.66 2.17 0.00 4.40 0.00 -1.26 -4.99 107.32 111.30 1kqg s GLY 823 Ca 0.72 0.36 0.27 0.00 0.00 0.00 0.00 44.72 46.07 1kqg s GLY 823 CO 0.28 0.67 1.88 -1.55 0.00 0.00 0.00 173.10 174.38 1kqg n PRO 824 N -1.73 0.03 -3.20 2.90 -0.04 -1.15 -4.36 135.00 127.45 1kqg n PRO 824 Ca 0.08 0.03 -0.46 0.00 -0.04 0.00 0.00 63.50 63.11 1kqg n PRO 824 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1kqg n PRO 824 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1kqg s PHE 825 N -2.96 3.67 -0.94 0.54 0.08 -1.02 -4.70 117.98 112.65 1kqg s PHE 825 Ca 0.14 -1.97 0.16 0.00 0.12 0.00 0.00 56.93 55.39 1kqg s PHE 825 Cb 0.18 -3.97 0.70 0.00 -0.57 0.00 0.00 43.02 39.35 1kqg s PHE 825 CO 0.49 -1.14 1.52 0.44 -0.10 0.00 0.00 175.22 176.44 1kqg n ILE 826 N 4.19 0.92 1.02 0.64 -5.35 -1.26 -2.02 119.36 117.50 1kqg n ILE 826 Ca 0.20 0.23 0.11 0.00 -0.27 0.00 0.00 62.75 63.02 1kqg n ILE 826 Cb 0.46 -0.98 0.13 0.00 -1.74 0.00 0.00 39.64 37.50 1kqg n ILE 826 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1kqg n MET 827 N -1.59 0.15 -3.12 6.28 2.81 -1.26 -1.86 117.12 118.53 1kqg n MET 827 Ca 0.04 -0.10 -0.39 0.00 -1.81 0.00 0.00 57.70 55.43 1kqg n MET 827 Cb 0.19 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.15 1kqg n MET 827 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1kqg s GLN 828 N -2.92 4.38 0.65 0.03 -1.52 -0.86 -4.72 119.66 114.70 1kqg s GLN 828 Ca 0.12 0.87 0.42 0.00 -1.95 0.00 0.00 55.36 54.81 1kqg s GLN 828 Cb 0.17 -3.34 2.28 0.00 -0.22 0.00 0.00 33.01 31.90 1kqg s GLN 828 CO 0.73 0.36 2.33 -1.35 -0.25 0.00 0.00 175.29 177.12 1kqg h PRO 829 N 5.53 0.00 -0.02 2.91 0.11 -1.89 -0.18 132.00 138.46 1kqg h PRO 829 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1kqg h PRO 829 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1kqg h PRO 829 CO 0.70 0.00 -0.06 -0.85 -0.21 0.00 0.00 178.00 177.58 1kqg n GLU 830 N -3.19 1.50 -1.25 1.05 0.00 -1.26 -1.34 120.64 116.14 1kqg n GLU 830 Ca -0.03 -1.45 -0.09 0.00 0.00 0.00 0.00 57.16 55.60 1kqg n GLU 830 Cb 0.09 -1.33 -0.04 0.00 0.00 0.00 0.00 31.44 30.16 1kqg n GLU 830 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kqg n GLY 831 N 1.03 0.95 3.30 -1.84 0.00 -0.08 -4.74 105.19 103.81 1kqg n GLY 831 Ca 0.10 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1kqg n GLY 831 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kqg s MET 832 N -2.51 1.21 0.08 1.61 -1.94 -1.26 -2.42 119.30 114.06 1kqg s MET 832 Ca 0.00 -1.53 -0.30 0.00 -1.71 0.00 0.00 55.69 52.14 1kqg s MET 832 Cb 0.00 -0.90 -0.06 0.00 2.01 0.00 0.00 34.83 35.88 1kqg s MET 832 CO 0.00 0.13 1.17 0.20 -0.01 0.00 0.00 175.02 176.51 1kqg s GLY 833 N -3.25 2.51 -0.32 -0.03 0.00 -0.07 -4.81 107.32 101.33 1kqg s GLY 833 Ca 0.20 0.83 -0.22 0.00 0.00 0.00 0.00 44.72 45.53 1kqg s GLY 833 CO 0.04 1.96 0.70 0.50 0.00 0.00 0.00 173.10 176.31 1kqg s ARG 834 N 0.84 3.86 0.09 2.90 0.52 -0.35 -1.52 118.95 125.29 1kqg s ARG 834 Ca 0.57 0.35 -0.08 0.00 -0.52 0.00 0.00 55.73 56.05 1kqg s ARG 834 Cb -0.29 -3.75 -0.22 0.00 0.52 0.00 0.00 34.95 31.20 1kqg s ARG 834 CO 0.30 -0.67 1.18 -0.07 0.02 0.00 0.00 175.30 176.06 1kqg h LEU 835 N 9.37 0.62 -8.32 2.53 3.38 -1.92 -3.43 115.31 117.54 1kqg h LEU 835 Ca -0.26 -0.58 -0.67 0.00 0.09 0.00 0.00 57.88 56.47 1kqg h LEU 835 Cb 1.11 -0.20 -0.28 0.00 0.09 0.00 0.00 40.66 41.38 1kqg h LEU 835 CO 0.85 1.41 -0.69 0.12 0.09 0.00 0.00 178.44 180.21 1kqg s PHE 836 N -2.96 3.06 -0.19 1.13 5.36 -1.26 -4.80 117.98 118.32 1kqg s PHE 836 Ca -0.06 -1.14 0.02 0.00 -0.96 0.00 0.00 56.93 54.78 1kqg s PHE 836 Cb 0.07 -2.14 0.24 0.00 -0.34 0.00 0.00 43.02 40.85 1kqg s PHE 836 CO 0.90 -0.61 1.31 0.00 -1.46 0.00 0.00 175.22 175.36 1kqg n ALA 837 N 4.78 3.59 0.00 11.12 0.00 -0.19 -4.99 120.51 134.83 1kqg n ALA 837 Ca -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1kqg n ALA 837 Cb 0.49 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1kqg n ALA 837 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1kqg n ILE 838 N -0.08 0.00 -1.20 0.00 -5.35 -1.26 -1.90 119.36 109.58 1kqg n ILE 838 Ca 0.21 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.53 1kqg n ILE 838 Cb 0.91 0.00 0.22 0.00 -1.74 0.00 0.00 39.64 39.03 1kqg n ILE 838 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1kqg n ASN 839 N 0.61 3.95 -0.01 7.28 6.94 -1.10 -4.38 115.26 128.54 1kqg n ASN 839 Ca 0.00 -3.51 -0.09 0.00 -0.02 0.00 0.00 54.58 50.96 1kqg n ASN 839 Cb 0.00 -0.79 -0.14 0.00 -2.36 0.00 0.00 39.78 36.49 1kqg n ASN 839 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1kqg h LYS 840 N 1.49 0.02 -6.15 -3.83 1.79 -1.73 -3.47 116.57 104.70 1kqg h LYS 840 Ca 0.48 -0.03 -0.59 0.00 -2.18 0.00 0.00 60.65 58.33 1kqg h LYS 840 Cb 2.59 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 33.21 1kqg h LYS 840 CO 0.92 0.60 -0.17 -1.64 -1.08 0.00 0.00 179.45 178.09 1kqg s MET 841 N -2.61 3.91 0.30 3.15 -1.94 -1.26 -5.02 119.30 115.82 1kqg s MET 841 Ca -0.05 0.39 -0.01 0.00 -1.71 0.00 0.00 55.69 54.31 1kqg s MET 841 Cb 0.08 -3.07 0.46 0.00 2.01 0.00 0.00 34.83 34.31 1kqg s MET 841 CO 0.82 0.59 1.90 0.00 -0.01 0.00 0.00 175.02 178.32 1kqg h ALA 842 N 4.06 1.33 -0.30 3.03 0.00 -1.90 -3.26 119.26 122.22 1kqg h ALA 842 Ca -0.50 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1kqg h ALA 842 Cb 1.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1kqg h ALA 842 CO 0.64 0.52 0.00 -0.85 0.00 0.00 0.00 179.25 179.56 1kqg n GLU 843 N -4.34 3.06 0.00 0.00 0.00 -1.26 -4.61 120.64 113.49 1kqg n GLU 843 Ca 0.06 -2.73 0.00 0.00 0.00 0.00 0.00 57.16 54.49 1kqg n GLU 843 Cb 0.14 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 29.81 1kqg n GLU 843 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kqg n GLY 844 N -0.22 4.55 0.00 -1.84 0.00 -1.23 -4.92 105.19 101.53 1kqg n GLY 844 Ca 0.20 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 45.10 1kqg n GLY 844 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kqg n PRO 845 N -1.82 0.31 -4.16 1.61 -0.04 -1.26 -4.65 135.00 124.99 1kqg n PRO 845 Ca 0.00 0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.33 1kqg n PRO 845 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 1kqg n PRO 845 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1kqg s PHE 846 N -2.67 0.68 0.64 0.54 0.08 -1.26 -1.02 117.98 114.97 1kqg s PHE 846 Ca 0.23 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 1kqg s PHE 846 Cb 0.18 -0.42 -0.01 0.00 -0.57 0.00 0.00 43.02 42.21 1kqg s PHE 846 CO 0.44 -0.03 1.11 -2.14 -0.10 0.00 0.00 175.22 174.50 1kqg s PRO 847 N -0.86 2.90 -0.12 0.24 0.02 -1.26 -5.06 135.00 130.86 1kqg s PRO 847 Ca -0.03 1.41 -0.10 0.00 0.02 0.00 0.00 61.00 62.30 1kqg s PRO 847 Cb -0.06 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.53 1kqg s PRO 847 CO 0.00 -1.18 0.30 -2.00 -0.33 0.00 0.00 177.00 173.80 1kqg s GLU 848 N -3.99 0.34 0.06 5.54 2.56 -1.26 -5.05 118.70 116.90 1kqg s GLU 848 Ca 0.67 0.46 -0.31 0.00 0.00 0.00 0.00 54.97 55.80 1kqg s GLU 848 Cb -0.21 0.13 -0.08 0.00 2.00 0.00 0.00 34.13 35.97 1kqg s GLU 848 CO 0.39 -0.06 1.62 -1.58 -0.56 0.00 0.00 175.26 175.08 1kqg s HIS 849 N 0.36 2.48 -0.01 5.30 5.65 -1.26 -5.01 115.29 122.80 1kqg s HIS 849 Ca -0.02 0.38 0.03 0.00 0.25 0.00 0.00 55.06 55.70 1kqg s HIS 849 Cb -0.03 -3.93 -0.01 0.00 -1.18 0.00 0.00 32.58 27.43 1kqg s HIS 849 CO -0.01 -3.71 -0.09 0.71 -0.65 0.00 0.00 174.74 170.99 1kqg s TYR 850 N 2.58 0.84 0.59 3.88 2.02 -1.26 -4.97 117.35 121.02 1kqg s TYR 850 Ca 0.73 -0.16 -0.14 0.00 -0.37 0.00 0.00 57.07 57.12 1kqg s TYR 850 Cb -0.39 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 1kqg s TYR 850 CO 0.32 -0.03 1.03 -1.21 -1.57 0.00 0.00 175.55 174.09 1kqg s GLU 851 N -0.15 3.49 0.89 -0.62 0.41 -0.31 -4.83 118.70 117.58 1kqg s GLU 851 Ca 0.03 0.99 -0.11 0.00 -0.41 0.00 0.00 54.97 55.46 1kqg s GLU 851 Cb -0.04 -2.07 0.11 0.00 -1.78 0.00 0.00 34.13 30.35 1kqg s GLU 851 CO -0.00 -0.65 1.04 -2.30 -0.49 0.00 0.00 175.26 172.86 1kqg n PRO 852 N -2.25 -0.26 -0.14 0.39 -0.02 -1.26 -4.32 135.00 127.14 1kqg n PRO 852 Ca 0.07 -0.01 -0.04 0.00 -2.02 0.00 0.00 63.50 61.50 1kqg n PRO 852 Cb 0.54 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1kqg n PRO 852 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1kqg h ILE 853 N -1.57 0.85 -3.11 4.25 1.08 -1.95 -3.26 117.51 113.80 1kqg h ILE 853 Ca -0.44 -0.11 -0.75 0.00 -0.39 0.00 0.00 64.86 63.17 1kqg h ILE 853 Cb 1.28 0.50 -0.24 0.00 -3.07 0.00 0.00 36.82 35.30 1kqg h ILE 853 CO 0.41 0.06 -0.21 -1.61 -0.69 0.00 0.00 178.15 176.11 1kqg s GLU 854 N -6.14 2.99 -0.08 2.37 2.02 -1.26 -5.02 118.70 113.59 1kqg s GLU 854 Ca -0.13 -1.64 0.01 0.00 0.02 0.00 0.00 54.97 53.23 1kqg s GLU 854 Cb 0.14 -4.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 1kqg s GLU 854 CO 0.72 -1.30 -0.08 -0.08 0.02 0.00 0.00 175.26 174.54 1kqg s THR 855 N 1.67 3.60 -0.63 3.63 -1.32 -1.23 -4.28 115.64 117.09 1kqg s THR 855 Ca 0.04 -0.51 0.16 0.00 -1.21 0.00 0.00 61.69 60.17 1kqg s THR 855 Cb -0.29 -2.48 0.16 0.00 -1.51 0.00 0.00 72.50 68.38 1kqg s THR 855 CO 0.04 0.58 1.50 -0.81 -2.21 0.00 0.00 174.62 173.72 1kqg n PRO 856 N 2.42 0.10 -0.07 7.08 -0.04 -1.26 -2.26 135.00 140.96 1kqg n PRO 856 Ca -0.18 0.46 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 1kqg n PRO 856 Cb 0.53 -1.74 -0.15 0.00 -0.04 0.00 0.00 33.50 32.10 1kqg n PRO 856 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1kqg n LEU 857 N -1.93 0.18 0.00 1.53 4.77 -1.26 -4.92 117.00 115.36 1kqg n LEU 857 Ca 0.01 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1kqg n LEU 857 Cb 0.12 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1kqg n LEU 857 CO 0.11 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1kqg n GLY 858 N 1.64 0.33 3.84 -0.72 0.00 -0.96 -4.93 105.19 104.38 1kqg n GLY 858 Ca -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 1kqg n GLY 858 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kqg s THR 859 N -1.69 0.00 -0.27 2.61 -1.32 -1.26 -5.09 115.64 108.62 1kqg s THR 859 Ca 0.00 -0.97 0.02 0.00 -1.21 0.00 0.00 61.69 59.53 1kqg s THR 859 Cb 0.00 -2.32 0.07 0.00 -1.51 0.00 0.00 72.50 68.74 1kqg s THR 859 CO 0.00 0.00 -0.04 0.21 -2.21 0.00 0.00 174.62 172.58 1kqg s ASN 860 N -2.98 4.20 0.64 8.08 3.84 -1.26 -4.92 114.94 122.53 1kqg s ASN 860 Ca 0.13 -1.46 0.36 0.00 0.21 0.00 0.00 52.86 52.10 1kqg s ASN 860 Cb -0.05 -1.34 1.98 0.00 -0.55 0.00 0.00 41.25 41.28 1kqg s ASN 860 CO 0.08 -0.26 2.18 -0.65 -2.79 0.00 0.00 177.10 175.65 1kqg h PRO 861 N 7.85 0.00 0.02 0.43 0.11 -1.96 -1.09 132.00 137.36 1kqg h PRO 861 Ca -0.15 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.75 1kqg h PRO 861 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1kqg h PRO 861 CO 0.45 0.00 -0.94 -0.07 -0.21 0.00 0.00 178.00 177.23 1kqg h LEU 862 N 0.00 0.30 -5.87 2.35 3.38 -1.95 -3.43 115.31 110.09 1kqg h LEU 862 Ca 0.02 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1kqg h LEU 862 Cb 0.31 -0.09 -0.19 0.00 0.09 0.00 0.00 40.66 40.77 1kqg h LEU 862 CO -0.00 1.09 -0.35 -1.38 0.09 0.00 0.00 178.44 177.89 1kqg s HIS 863 N -3.11 -1.46 -0.66 1.13 -3.43 -0.44 -4.90 115.29 102.41 1kqg s HIS 863 Ca -0.03 0.41 0.18 0.00 -0.80 0.00 0.00 55.06 54.81 1kqg s HIS 863 Cb 0.09 0.26 0.78 0.00 -1.43 0.00 0.00 32.58 32.29 1kqg s HIS 863 CO 0.84 -0.95 1.54 -2.30 -2.00 0.00 0.00 174.74 171.87 1kqg n PRO 864 N 4.57 0.10 0.21 -0.38 -0.02 -1.00 -1.17 135.00 137.31 1kqg n PRO 864 Ca 0.09 0.41 0.10 0.00 -2.02 0.00 0.00 63.50 62.07 1kqg n PRO 864 Cb 0.57 -1.72 0.32 0.00 -0.02 0.00 0.00 33.50 32.65 1kqg n PRO 864 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1kqg h ASN 865 N 0.00 0.00 -3.50 2.55 -0.26 -1.90 -3.39 115.58 109.08 1kqg h ASN 865 Ca 0.00 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.13 1kqg h ASN 865 Cb 0.23 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.09 1kqg h ASN 865 CO 0.00 0.21 -0.74 -0.69 -1.06 0.00 0.00 177.43 175.15 1kqg s VAL 866 N -3.39 1.40 -0.08 2.81 1.01 -0.32 -5.02 120.40 116.82 1kqg s VAL 866 Ca 0.03 -2.47 -0.13 0.00 0.00 0.00 0.00 61.98 59.40 1kqg s VAL 866 Cb 0.08 -1.99 -0.10 0.00 0.00 0.00 0.00 36.38 34.38 1kqg s VAL 866 CO 0.66 -0.87 0.49 0.58 0.00 0.00 0.00 175.10 175.96 1kqg h VAL 867 N 5.38 0.51 -1.79 2.92 2.07 -1.76 -3.44 116.25 120.13 1kqg h VAL 867 Ca -0.02 -1.15 -0.52 0.00 0.82 0.00 0.00 66.70 65.82 1kqg h VAL 867 Cb 0.94 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1kqg h VAL 867 CO 0.49 0.15 -0.48 -0.44 0.02 0.00 0.00 177.57 177.30 1kqg s SER 868 N -5.50 4.89 -0.21 0.57 0.01 -1.26 -1.16 113.70 111.05 1kqg s SER 868 Ca -0.08 -0.71 -0.41 0.00 1.31 0.00 0.00 55.95 56.06 1kqg s SER 868 Cb -0.00 -0.76 -0.17 0.00 0.21 0.00 0.00 66.02 65.30 1kqg s SER 868 CO 0.29 -0.39 1.57 -3.20 0.41 0.00 0.00 173.24 171.92 1kqg n ASN 869 N -1.28 1.80 0.00 2.44 2.85 -1.26 -4.83 115.26 114.98 1kqg n ASN 869 Ca -0.02 1.11 0.10 0.00 -0.11 0.00 0.00 54.58 55.67 1kqg n ASN 869 Cb 0.61 -1.09 0.53 0.00 1.24 0.00 0.00 39.78 41.08 1kqg n ASN 869 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1kqg n PRO 870 N 4.16 0.37 -0.03 1.20 -0.04 -1.26 -2.33 135.00 137.07 1kqg n PRO 870 Ca 0.25 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.83 1kqg n PRO 870 Cb 0.10 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.12 1kqg n PRO 870 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1kqg n VAL 871 N -1.23 0.23 -1.74 0.52 0.31 -1.26 -4.57 118.33 110.58 1kqg n VAL 871 Ca 0.11 -0.61 -0.42 0.00 -0.01 0.00 0.00 64.34 63.41 1kqg n VAL 871 Cb 0.14 1.02 -0.01 0.00 -0.91 0.00 0.00 33.84 34.09 1kqg n VAL 871 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1kqg n VAL 872 N 0.43 1.84 -3.40 2.52 0.31 -0.98 -4.88 118.33 114.16 1kqg n VAL 872 Ca 0.06 -0.46 -0.38 0.00 -0.01 0.00 0.00 64.34 63.55 1kqg n VAL 872 Cb 0.25 -1.83 -0.07 0.00 -0.91 0.00 0.00 33.84 31.27 1kqg n VAL 872 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1kqg s ARG 873 N -1.78 4.18 -0.22 5.55 3.52 -1.26 -5.06 118.95 123.89 1kqg s ARG 873 Ca 0.56 0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 56.32 1kqg s ARG 873 Cb -0.51 -3.53 0.07 0.00 -1.56 0.00 0.00 34.95 29.42 1kqg s ARG 873 CO 0.61 -0.01 0.08 -1.17 -0.81 0.00 0.00 175.30 174.00 1kqg s LEU 874 N 1.22 0.87 0.45 -0.88 2.96 -1.26 -4.56 118.68 117.48 1kqg s LEU 874 Ca 0.19 -0.94 -0.25 0.00 -0.22 0.00 0.00 54.13 52.91 1kqg s LEU 874 Cb -0.15 -0.45 -0.08 0.00 0.50 0.00 0.00 46.19 46.02 1kqg s LEU 874 CO 0.08 -0.36 1.32 -0.31 -1.32 0.00 0.00 176.35 175.76 1kqg s TYR 875 N 1.98 2.65 0.20 5.38 2.02 -1.26 -4.79 117.35 123.53 1kqg s TYR 875 Ca 0.03 1.39 -0.12 0.00 -0.37 0.00 0.00 57.07 58.00 1kqg s TYR 875 Cb -0.16 -3.71 0.25 0.00 -0.40 0.00 0.00 41.96 37.93 1kqg s TYR 875 CO -0.17 -2.35 1.68 1.49 -1.57 0.00 0.00 175.55 174.64 1kqg h GLU 876 N 2.28 0.15 -0.83 -0.62 4.81 -2.00 0.84 114.58 119.21 1kqg h GLU 876 Ca -0.50 -0.01 0.18 0.00 -0.13 0.00 0.00 59.36 58.90 1kqg h GLU 876 Cb 1.26 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 1kqg h GLU 876 CO 0.61 0.10 0.55 1.96 -0.73 0.00 0.00 179.01 181.50 1kqg h GLN 877 N 0.16 0.41 0.02 1.92 7.50 -2.00 -1.88 115.11 121.24 1kqg h GLN 877 Ca 0.29 -0.02 -0.22 0.00 0.50 0.00 0.00 58.65 59.19 1kqg h GLN 877 Cb 0.44 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.85 1kqg h GLN 877 CO -0.44 0.27 -1.05 -0.44 -1.50 0.00 0.00 178.83 175.67 1kqg h ASP 878 N 0.42 0.07 -0.27 1.46 3.32 -1.31 -3.27 116.42 116.83 1kqg h ASP 878 Ca 0.42 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 1kqg h ASP 878 Cb 1.01 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1kqg h ASP 878 CO -0.15 1.06 0.05 0.00 -1.72 0.00 0.00 179.24 178.48 1kqg h ALA 879 N 0.93 1.41 0.00 3.45 0.00 -0.15 0.48 119.26 125.38 1kqg h ALA 879 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1kqg h ALA 879 Cb 1.81 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1kqg h ALA 879 CO 0.14 0.42 -0.03 -0.07 0.00 0.00 0.00 179.25 179.72 1kqg h LEU 880 N 0.53 0.00 -3.45 0.00 3.38 -1.48 -2.74 115.31 111.55 1kqg h LEU 880 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1kqg h LEU 880 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1kqg h LEU 880 CO 0.00 0.03 0.00 0.54 0.09 0.00 0.00 178.44 179.10 1kqg n ARG 881 N -3.17 4.61 -3.64 1.13 1.74 0.15 -4.97 116.66 112.51 1kqg n ARG 881 Ca -0.01 -3.09 -0.36 0.00 -0.77 0.00 0.00 57.85 53.62 1kqg n ARG 881 Cb 0.25 -2.17 -0.06 0.00 -1.02 0.00 0.00 32.46 29.46 1kqg n ARG 881 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1kqg s MET 882 N -2.51 3.72 0.44 5.56 -1.94 -1.04 -4.42 119.30 119.11 1kqg s MET 882 Ca 0.54 0.15 0.08 0.00 -1.71 0.00 0.00 55.69 54.75 1kqg s MET 882 Cb 0.39 -3.13 0.02 0.00 2.01 0.00 0.00 34.83 34.12 1kqg s MET 882 CO 0.19 0.66 0.57 0.20 -0.01 0.00 0.00 175.02 176.63 1kqg s GLY 883 N -1.38 1.95 0.26 -0.03 0.00 -1.26 -4.97 107.32 101.89 1kqg s GLY 883 Ca 0.25 -1.75 0.09 0.00 0.00 0.00 0.00 44.72 43.31 1kqg s GLY 883 CO 0.14 -1.55 -0.14 0.54 0.00 0.00 0.00 173.10 172.09 1kqg s LYS 884 N -4.36 1.56 0.56 2.90 -0.14 -1.26 -4.81 119.74 114.18 1kqg s LYS 884 Ca 0.55 -1.74 0.37 0.00 -1.36 0.00 0.00 55.97 53.79 1kqg s LYS 884 Cb -0.08 -1.43 1.87 0.00 -1.68 0.00 0.00 37.83 36.50 1kqg s LYS 884 CO 0.33 0.20 2.12 1.57 -0.76 0.00 0.00 175.35 178.82 1kqg h LYS 885 N 2.33 0.00 -0.20 1.68 2.10 -1.81 -0.80 116.57 119.87 1kqg h LYS 885 Ca -0.40 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.14 1kqg h LYS 885 Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 1kqg h LYS 885 CO 0.63 0.00 -0.37 0.93 -2.00 0.00 0.00 179.45 178.65 1kqg h GLU 886 N 0.00 0.44 0.00 0.07 3.07 -1.96 -3.15 114.58 113.05 1kqg h GLU 886 Ca 0.00 -0.20 -0.34 0.00 -0.50 0.00 0.00 59.36 58.31 1kqg h GLU 886 Cb 0.17 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.01 1kqg h GLU 886 CO 0.00 0.75 -2.20 1.04 -1.40 0.00 0.00 179.01 177.20 1kqg n GLN 887 N -4.05 0.67 -3.71 2.33 3.00 -0.55 -4.75 117.38 110.33 1kqg n GLN 887 Ca -0.01 0.07 -0.28 0.00 -0.01 0.00 0.00 57.00 56.76 1kqg n GLN 887 Cb 0.48 -1.59 -0.12 0.00 0.00 0.00 0.00 30.24 29.00 1kqg n GLN 887 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1kqg s PHE 888 N -2.54 2.40 -0.84 1.08 0.08 -0.42 -4.65 117.98 113.10 1kqg s PHE 888 Ca -0.08 -2.78 0.27 0.00 0.12 0.00 0.00 56.93 54.45 1kqg s PHE 888 Cb 0.07 -1.98 0.98 0.00 -0.57 0.00 0.00 43.02 41.52 1kqg s PHE 888 CO 0.83 -0.70 1.82 -0.35 -0.10 0.00 0.00 175.22 176.72 1kqg n PRO 889 N 2.74 0.14 -4.05 0.24 -0.04 -1.13 -3.94 135.00 128.97 1kqg n PRO 889 Ca 0.18 0.14 -0.30 0.00 -0.04 0.00 0.00 63.50 63.49 1kqg n PRO 889 Cb 0.38 -1.67 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 1kqg n PRO 889 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1kqg s TYR 890 N -3.07 3.21 -0.02 0.54 2.02 -0.57 -4.74 117.35 114.72 1kqg s TYR 890 Ca 0.12 0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.59 1kqg s TYR 890 Cb 0.15 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 1kqg s TYR 890 CO 0.55 0.52 1.10 0.08 -1.57 0.00 0.00 175.55 176.23 1kqg s VAL 891 N -1.46 4.48 -0.11 0.71 1.01 0.80 -0.48 120.40 125.35 1kqg s VAL 891 Ca 0.30 1.78 -0.06 0.00 0.00 0.00 0.00 61.98 64.00 1kqg s VAL 891 Cb -0.12 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1kqg s VAL 891 CO 0.23 0.08 0.14 -0.83 0.00 0.00 0.00 175.10 174.71 1kqg s GLY 892 N 1.16 2.15 -0.05 4.51 0.00 -0.33 -0.34 107.32 114.41 1kqg s GLY 892 Ca 0.54 -0.66 -0.10 0.00 0.00 0.00 0.00 44.72 44.50 1kqg s GLY 892 CO 0.25 -0.42 0.24 -1.08 0.00 0.00 0.00 173.10 172.09 1kqg s THR 893 N -1.06 0.04 0.07 0.90 -1.32 -1.08 -1.74 115.64 111.45 1kqg s THR 893 Ca 0.16 -0.32 0.09 0.00 -1.21 0.00 0.00 61.69 60.41 1kqg s THR 893 Cb -0.12 -0.45 -0.03 0.00 -1.51 0.00 0.00 72.50 70.38 1kqg s THR 893 CO 0.06 -0.18 -0.24 0.42 -2.21 0.00 0.00 174.62 172.47 1kqg s THR 894 N -0.68 2.39 0.19 5.08 -4.23 -1.17 -1.00 115.64 116.23 1kqg s THR 894 Ca -0.08 -1.42 -0.10 0.00 -1.18 0.00 0.00 61.69 58.91 1kqg s THR 894 Cb -0.04 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.84 1kqg s THR 894 CO 0.02 0.28 0.53 0.00 -0.54 0.00 0.00 174.62 174.91 1kqg n TYR 895 N 1.46 -1.54 -4.06 3.99 0.18 -1.14 -4.78 117.16 111.27 1kqg n TYR 895 Ca -0.17 -0.99 -0.22 0.00 1.88 0.00 0.00 57.90 58.40 1kqg n TYR 895 Cb 0.52 0.49 -0.05 0.00 -0.38 0.00 0.00 39.34 39.92 1kqg n TYR 895 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1kqg s ARG 896 N -2.05 2.60 0.10 -3.48 0.52 -1.26 -1.65 118.95 113.73 1kqg s ARG 896 Ca 0.11 -1.32 0.09 0.00 -0.52 0.00 0.00 55.73 54.08 1kqg s ARG 896 Cb -0.03 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1kqg s ARG 896 CO 0.06 0.23 -0.18 -0.51 0.02 0.00 0.00 175.30 174.92 1kqg s LEU 897 N -3.85 2.67 0.49 2.53 1.43 -1.26 -4.98 118.68 115.71 1kqg s LEU 897 Ca 0.36 -0.54 0.16 0.00 -1.03 0.00 0.00 54.13 53.09 1kqg s LEU 897 Cb -0.06 -1.53 1.19 0.00 0.03 0.00 0.00 46.19 45.82 1kqg s LEU 897 CO 0.24 0.19 2.07 0.74 0.23 0.00 0.00 176.35 179.82 1kqg h THR 898 N 3.63 0.94 0.00 5.49 2.02 -1.93 -2.79 112.91 120.28 1kqg h THR 898 Ca -0.49 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1kqg h THR 898 Cb 1.17 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1kqg h THR 898 CO 0.46 0.03 0.00 -0.33 0.37 0.00 0.00 175.52 176.05 1kqg h GLU 899 N 0.17 0.00 -5.34 6.66 3.07 -1.96 -3.42 114.58 113.76 1kqg h GLU 899 Ca 0.13 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.60 1kqg h GLU 899 Cb 0.32 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.05 1kqg h GLU 899 CO -0.02 0.00 -0.75 -1.01 -1.40 0.00 0.00 179.01 175.82 1kqg s HIS 900 N -3.22 1.33 -0.25 4.33 3.76 -1.05 -4.61 115.29 115.58 1kqg s HIS 900 Ca 0.08 -0.57 -0.01 0.00 -0.15 0.00 0.00 55.06 54.41 1kqg s HIS 900 Cb 0.10 -0.70 0.03 0.00 1.11 0.00 0.00 32.58 33.12 1kqg s HIS 900 CO 0.55 0.12 -0.07 0.12 -0.85 0.00 0.00 174.74 174.61 1kqg s PHE 901 N -2.15 3.10 0.00 1.40 5.36 -1.26 -4.61 117.98 119.81 1kqg s PHE 901 Ca 0.08 -1.69 0.00 0.00 -0.96 0.00 0.00 56.93 54.36 1kqg s PHE 901 Cb -0.05 -2.04 0.00 0.00 -0.34 0.00 0.00 43.02 40.59 1kqg s PHE 901 CO 0.02 -0.76 0.00 0.72 -1.46 0.00 0.00 175.22 173.74 1kqg n HIS 902 N 4.63 0.00 -1.02 10.12 8.25 -1.26 -1.15 115.22 134.79 1kqg n HIS 902 Ca -0.16 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.35 1kqg n HIS 902 Cb 0.46 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.87 1kqg n HIS 902 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1kqg n THR 903 N 0.00 2.52 -0.08 1.59 -2.24 -1.26 -4.16 114.28 110.65 1kqg n THR 903 Ca 0.00 -1.79 -0.20 0.00 -2.27 0.00 0.00 64.05 59.79 1kqg n THR 903 Cb 0.00 -0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 67.83 1kqg n THR 903 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1kqg h TRP 904 N 2.42 0.05 0.00 4.78 2.91 -1.45 -3.39 115.95 121.27 1kqg h TRP 904 Ca 0.05 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1kqg h TRP 904 Cb 1.72 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.37 1kqg h TRP 904 CO 0.79 1.37 0.00 0.25 -1.03 0.00 0.00 178.44 179.82 1kqg n THR 905 N -4.42 0.40 0.59 2.65 -2.24 -1.01 -2.15 114.28 108.11 1kqg n THR 905 Ca -0.25 0.10 0.09 0.00 -2.27 0.00 0.00 64.05 61.72 1kqg n THR 905 Cb 0.65 -0.77 0.39 0.00 -2.10 0.00 0.00 70.33 68.51 1kqg n THR 905 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1kqg n LYS 906 N -1.31 0.03 0.00 -0.78 2.85 -1.26 -0.69 118.16 117.00 1kqg n LYS 906 Ca 0.09 0.22 0.15 0.00 -1.05 0.00 0.00 58.31 57.72 1kqg n LYS 906 Cb 0.17 -1.55 0.73 0.00 -0.65 0.00 0.00 35.03 33.73 1kqg n LYS 906 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1kqg n HIS 907 N -1.60 0.00 -3.75 5.58 8.25 -0.91 -0.80 115.22 121.99 1kqg n HIS 907 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 1kqg n HIS 907 Cb 0.22 -0.20 -0.12 0.00 1.12 0.00 0.00 29.99 31.00 1kqg n HIS 907 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kqg s ALA 908 N -2.44 3.15 0.24 -1.41 0.00 0.14 -4.53 121.76 116.92 1kqg s ALA 908 Ca 0.32 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 1kqg s ALA 908 Cb 0.20 -2.11 0.44 0.00 0.00 0.00 0.00 23.12 21.65 1kqg s ALA 908 CO 0.45 -0.57 1.70 1.25 0.00 0.00 0.00 175.76 178.59 1kqg h LEU 909 N 8.25 0.08 -0.69 0.00 5.85 -1.84 -1.81 115.31 125.16 1kqg h LEU 909 Ca -0.37 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.56 1kqg h LEU 909 Cb 1.17 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 1kqg h LEU 909 CO 0.58 0.01 0.35 -0.07 -0.34 0.00 0.00 178.44 178.97 1kqg h LEU 910 N 0.31 0.48 -0.25 2.25 3.38 -1.91 -0.98 115.31 118.59 1kqg h LEU 910 Ca 0.40 0.05 -0.21 0.00 0.09 0.00 0.00 57.88 58.21 1kqg h LEU 910 Cb 0.65 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1kqg h LEU 910 CO -0.46 0.29 -0.86 0.78 0.09 0.00 0.00 178.44 178.27 1kqg h ASN 911 N 0.62 0.53 -0.64 -0.43 4.21 -1.66 -2.85 115.58 115.36 1kqg h ASN 911 Ca 0.33 -0.39 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 1kqg h ASN 911 Cb 0.30 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 1kqg h ASN 911 CO -0.24 1.17 0.36 0.00 -1.29 0.00 0.00 177.43 177.43 1kqg h ALA 912 N 0.80 1.40 -0.52 -0.83 0.00 -1.02 -2.07 119.26 117.02 1kqg h ALA 912 Ca -0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1kqg h ALA 912 Cb 1.48 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1kqg h ALA 912 CO 0.15 0.49 0.03 0.82 0.00 0.00 0.00 179.25 180.74 1kqg h ILE 913 N 0.91 1.25 -0.26 0.00 2.04 -1.14 -2.21 117.51 118.10 1kqg h ILE 913 Ca 0.23 -1.01 -0.19 0.00 1.00 0.00 0.00 64.86 64.89 1kqg h ILE 913 Cb 0.02 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1kqg h ILE 913 CO -0.04 0.36 -0.60 0.00 0.00 0.00 0.00 178.15 177.87 1kqg h ALA 914 N 1.21 0.44 -2.55 1.87 0.00 -1.18 -3.38 119.26 115.68 1kqg h ALA 914 Ca 0.16 -0.53 -0.59 0.00 0.00 0.00 0.00 54.91 53.95 1kqg h ALA 914 Cb 0.45 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 17.79 1kqg h ALA 914 CO 0.02 0.68 -0.88 -0.65 0.00 0.00 0.00 179.25 178.42 1kqg s GLN 915 N -4.04 0.76 0.29 0.00 -1.52 -0.83 -5.04 119.66 109.27 1kqg s GLN 915 Ca -0.10 -1.68 0.15 0.00 -1.95 0.00 0.00 55.36 51.78 1kqg s GLN 915 Cb 0.10 -1.45 0.21 0.00 -0.22 0.00 0.00 33.01 31.64 1kqg s GLN 915 CO 0.89 -1.27 1.51 -1.00 -0.25 0.00 0.00 175.29 175.17 1kqg h PRO 916 N 6.50 0.00 -3.53 2.91 0.13 -1.59 -3.43 132.00 132.98 1kqg h PRO 916 Ca 0.13 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.02 1kqg h PRO 916 Cb 0.94 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.78 1kqg h PRO 916 CO 0.32 0.52 -0.67 -2.00 -0.23 0.00 0.00 178.00 175.95 1kqg s GLU 917 N -3.11 0.04 0.26 0.86 2.12 -1.26 -0.35 118.70 117.26 1kqg s GLU 917 Ca 0.03 0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.20 1kqg s GLU 917 Cb 0.09 -0.07 -0.14 0.00 0.26 0.00 0.00 34.13 34.27 1kqg s GLU 917 CO 0.74 -0.07 1.29 0.94 -0.54 0.00 0.00 175.26 177.61 1kqg n GLN 918 N 3.50 1.81 -4.13 4.30 7.27 -1.26 -4.96 117.38 123.91 1kqg n GLN 918 Ca -0.18 0.64 -0.11 0.00 0.07 0.00 0.00 57.00 57.42 1kqg n GLN 918 Cb 0.56 -2.22 -0.09 0.00 2.41 0.00 0.00 30.24 30.90 1kqg n GLN 918 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1kqg s PHE 919 N -0.43 0.89 0.05 3.69 -0.12 -1.26 -2.18 117.98 118.61 1kqg s PHE 919 Ca 0.65 -1.19 0.03 0.00 -0.05 0.00 0.00 56.93 56.37 1kqg s PHE 919 Cb -0.67 -0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 41.29 1kqg s PHE 919 CO 0.54 -0.64 -0.10 0.14 -0.05 0.00 0.00 175.22 175.11 1kqg s VAL 920 N -4.08 0.71 -0.14 -2.49 -7.23 -0.23 -4.25 120.40 102.69 1kqg s VAL 920 Ca 0.29 -1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 59.27 1kqg s VAL 920 Cb 0.06 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 36.21 1kqg s VAL 920 CO 0.07 -0.34 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.88 1kqg s GLU 921 N -1.66 3.53 0.04 4.82 2.02 0.37 -0.78 118.70 127.03 1kqg s GLU 921 Ca -0.07 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.40 1kqg s GLU 921 Cb -0.10 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 1kqg s GLU 921 CO 0.01 0.36 0.04 0.96 0.02 0.00 0.00 175.26 176.65 1kqg s ILE 922 N 0.06 0.14 0.91 -1.63 -4.36 -0.42 -0.52 121.20 115.38 1kqg s ILE 922 Ca 0.01 -1.18 -0.12 0.00 -0.26 0.00 0.00 60.65 59.10 1kqg s ILE 922 Cb -0.13 -0.86 0.13 0.00 1.25 0.00 0.00 42.46 42.85 1kqg s ILE 922 CO 0.02 -0.65 1.11 -0.94 0.24 0.00 0.00 174.94 174.73 1kqg s SER 923 N -2.11 3.50 0.14 4.36 1.04 -1.26 -1.61 113.70 117.76 1kqg s SER 923 Ca -0.05 1.14 -0.08 0.00 0.48 0.00 0.00 55.95 57.43 1kqg s SER 923 Cb -0.02 -1.78 -0.05 0.00 0.10 0.00 0.00 66.02 64.27 1kqg s SER 923 CO -0.05 -2.58 1.39 -0.33 0.98 0.00 0.00 173.24 172.66 1kqg h GLU 924 N -1.51 0.70 0.10 4.02 5.08 -1.74 -2.04 114.58 119.18 1kqg h GLU 924 Ca -0.51 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 57.35 1kqg h GLU 924 Cb 1.31 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1kqg h GLU 924 CO 0.60 1.13 -0.14 1.15 -1.00 0.00 0.00 179.01 180.75 1kqg h THR 925 N 0.51 0.68 -0.52 1.13 2.02 -1.92 0.90 112.91 115.70 1kqg h THR 925 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 1kqg h THR 925 Cb 1.27 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1kqg h THR 925 CO 0.13 0.00 0.12 0.25 0.37 0.00 0.00 175.52 176.39 1kqg h LEU 926 N -0.28 0.75 -0.52 2.58 5.85 -1.93 -1.25 115.31 120.51 1kqg h LEU 926 Ca 0.02 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 1kqg h LEU 926 Cb 0.29 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1kqg h LEU 926 CO -0.07 0.75 -0.13 0.00 -0.34 0.00 0.00 178.44 178.65 1kqg h ALA 927 N 1.35 0.72 -0.64 1.25 0.00 -1.01 -1.15 119.26 119.79 1kqg h ALA 927 Ca 0.17 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1kqg h ALA 927 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1kqg h ALA 927 CO 0.00 0.64 0.14 0.00 0.00 0.00 0.00 179.25 180.03 1kqg h ALA 928 N 0.91 0.85 -0.90 0.00 0.00 -0.34 0.35 119.26 120.13 1kqg h ALA 928 Ca 0.13 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1kqg h ALA 928 Cb 0.70 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1kqg h ALA 928 CO 0.05 0.57 0.59 0.00 0.00 0.00 0.00 179.25 180.47 1kqg h ALA 929 N 1.05 1.40 -0.02 0.00 0.00 -0.66 -2.66 119.26 118.37 1kqg h ALA 929 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1kqg h ALA 929 Cb 0.38 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1kqg h ALA 929 CO 0.01 0.53 -0.19 1.63 0.00 0.00 0.00 179.25 181.22 1kqg n LYS 930 N -4.42 1.58 -2.85 0.00 4.76 -0.49 -4.95 118.16 111.79 1kqg n LYS 930 Ca 0.11 -1.19 -0.12 0.00 -2.87 0.00 0.00 58.31 54.25 1kqg n LYS 930 Cb 0.07 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1kqg n LYS 930 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kqg n GLY 931 N 1.33 0.14 3.68 0.72 0.00 0.92 -4.74 105.19 107.24 1kqg n GLY 931 Ca 0.13 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1kqg n GLY 931 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kqg s ILE 932 N -3.01 5.35 0.25 -0.61 1.01 0.58 -5.03 121.20 119.73 1kqg s ILE 932 Ca 0.23 0.25 -0.05 0.00 0.00 0.00 0.00 60.65 61.08 1kqg s ILE 932 Cb -0.10 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1kqg s ILE 932 CO 0.28 0.36 0.50 0.20 0.00 0.00 0.00 174.94 176.28 1kqg s ASN 933 N 0.88 6.46 0.08 3.58 0.01 -1.26 -4.50 114.94 120.19 1kqg s ASN 933 Ca 0.09 0.66 -0.36 0.00 -0.71 0.00 0.00 52.86 52.55 1kqg s ASN 933 Cb -0.13 -2.12 -0.15 0.00 0.41 0.00 0.00 41.25 39.26 1kqg s ASN 933 CO 0.03 -0.12 1.50 -3.20 -1.51 0.00 0.00 177.10 173.80 1kqg n ASN 934 N -0.67 2.40 0.00 -1.22 5.15 -1.26 -1.38 115.26 118.28 1kqg n ASN 934 Ca -0.02 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.05 1kqg n ASN 934 Cb 0.53 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1kqg n ASN 934 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kqg n GLY 935 N 3.11 1.13 3.78 8.20 0.00 0.50 -5.01 105.19 116.91 1kqg n GLY 935 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1kqg n GLY 935 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kqg s ASP 936 N -2.97 5.30 0.37 1.61 1.01 -0.48 -4.49 116.67 117.02 1kqg s ASP 936 Ca 0.00 1.91 -0.24 0.00 0.71 0.00 0.00 52.55 54.93 1kqg s ASP 936 Cb 0.00 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.29 1kqg s ASP 936 CO 0.00 -1.50 0.97 -0.60 0.21 0.00 0.00 175.17 174.26 1kqg s ARG 937 N -4.19 4.38 0.09 8.23 3.52 -1.26 -0.53 118.95 129.18 1kqg s ARG 937 Ca 0.65 1.33 -0.00 0.00 -0.13 0.00 0.00 55.73 57.57 1kqg s ARG 937 Cb -0.19 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 1kqg s ARG 937 CO 0.42 0.08 -0.01 0.14 -0.81 0.00 0.00 175.30 175.12 1kqg s VAL 938 N -1.77 0.31 -0.17 7.11 -7.23 -0.25 -1.35 120.40 117.05 1kqg s VAL 938 Ca 0.55 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1kqg s VAL 938 Cb -0.17 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.07 1kqg s VAL 938 CO 0.22 -0.82 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.14 1kqg s THR 939 N -3.88 2.44 -0.19 5.32 2.01 0.14 -1.58 115.64 119.90 1kqg s THR 939 Ca 0.13 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 1kqg s THR 939 Cb 0.07 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1kqg s THR 939 CO -0.05 0.51 0.01 -0.69 -0.69 0.00 0.00 174.62 173.71 1kqg s VAL 940 N 1.13 4.14 0.13 3.82 1.01 -0.06 -1.10 120.40 129.47 1kqg s VAL 940 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1kqg s VAL 940 Cb -0.14 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1kqg s VAL 940 CO -0.06 0.44 -0.05 -0.94 0.00 0.00 0.00 175.10 174.48 1kqg s SER 941 N 0.81 1.25 0.33 3.32 1.04 0.21 -0.91 113.70 119.76 1kqg s SER 941 Ca 0.01 -1.05 0.06 0.00 0.48 0.00 0.00 55.95 55.45 1kqg s SER 941 Cb -0.14 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1kqg s SER 941 CO 0.02 -0.47 0.22 -1.54 0.98 0.00 0.00 173.24 172.45 1kqg n SER 942 N -0.12 -0.05 0.30 7.02 3.41 -0.48 -0.39 113.62 123.30 1kqg n SER 942 Ca -0.10 -3.04 0.17 0.00 -0.26 0.00 0.00 58.87 55.63 1kqg n SER 942 Cb 0.61 1.37 0.92 0.00 -0.26 0.00 0.00 64.21 66.85 1kqg n SER 942 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1kqg h LYS 943 N 0.00 0.00 0.00 4.33 1.63 -1.85 -2.95 116.57 117.74 1kqg h LYS 943 Ca -0.24 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.54 1kqg h LYS 943 Cb 1.12 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1kqg h LYS 943 CO 0.37 0.04 -1.40 0.54 -3.45 0.00 0.00 179.45 175.55 1kqg n ARG 944 N -3.51 0.63 -3.26 1.90 1.74 -1.26 -4.97 116.66 107.93 1kqg n ARG 944 Ca -0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1kqg n ARG 944 Cb 0.15 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 1kqg n ARG 944 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kqg n GLY 945 N 1.23 -0.69 3.29 -0.13 0.00 -1.11 -4.83 105.19 102.95 1kqg n GLY 945 Ca -0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 1kqg n GLY 945 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kqg s PHE 946 N -3.00 0.05 0.07 1.61 -0.71 -1.26 -1.39 117.98 113.36 1kqg s PHE 946 Ca 0.00 -0.43 0.01 0.00 -1.04 0.00 0.00 56.93 55.48 1kqg s PHE 946 Cb 0.00 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1kqg s PHE 946 CO 0.00 -0.66 -0.06 0.96 -1.34 0.00 0.00 175.22 174.12 1kqg s ILE 947 N -3.86 0.54 0.05 -4.49 -4.36 -0.09 -4.90 121.20 104.09 1kqg s ILE 947 Ca 0.07 -1.65 0.09 0.00 -0.26 0.00 0.00 60.65 58.90 1kqg s ILE 947 Cb 0.03 -1.31 -0.03 0.00 1.25 0.00 0.00 42.46 42.40 1kqg s ILE 947 CO -0.09 -0.75 -0.25 -0.13 0.24 0.00 0.00 174.94 173.96 1kqg s ARG 948 N -3.16 1.70 0.20 0.37 0.52 -1.26 -0.88 118.95 116.43 1kqg s ARG 948 Ca 0.04 -1.07 -0.23 0.00 -0.52 0.00 0.00 55.73 53.95 1kqg s ARG 948 Cb 0.01 -1.86 0.06 0.00 0.52 0.00 0.00 34.95 33.68 1kqg s ARG 948 CO -0.04 0.48 0.93 0.00 0.02 0.00 0.00 175.30 176.69 1kqg s ALA 949 N -0.81 -1.50 0.36 2.13 0.00 -0.61 -4.73 121.76 116.59 1kqg s ALA 949 Ca 0.11 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 1kqg s ALA 949 Cb -0.10 0.69 -0.10 0.00 0.00 0.00 0.00 23.12 23.62 1kqg s ALA 949 CO 0.02 -1.04 1.00 0.08 0.00 0.00 0.00 175.76 175.82 1kqg s VAL 950 N -3.05 3.95 -0.23 0.00 1.01 -0.93 -1.09 120.40 120.07 1kqg s VAL 950 Ca 0.14 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.55 1kqg s VAL 950 Cb -0.03 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1kqg s VAL 950 CO 0.04 0.07 0.29 0.00 0.00 0.00 0.00 175.10 175.50 1kqg s ALA 951 N -1.64 3.58 -0.50 5.51 0.00 0.31 -1.06 121.76 127.96 1kqg s ALA 951 Ca 0.54 -0.73 -0.14 0.00 0.00 0.00 0.00 51.96 51.63 1kqg s ALA 951 Cb -0.20 -2.50 0.10 0.00 0.00 0.00 0.00 23.12 20.52 1kqg s ALA 951 CO 0.26 -0.29 0.42 0.08 0.00 0.00 0.00 175.76 176.23 1kqg s VAL 952 N 1.28 5.01 -0.22 0.00 1.01 0.04 -0.37 120.40 127.15 1kqg s VAL 952 Ca 0.13 -1.37 -0.16 0.00 0.00 0.00 0.00 61.98 60.59 1kqg s VAL 952 Cb -0.14 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1kqg s VAL 952 CO 0.07 -0.72 0.41 -0.69 0.00 0.00 0.00 175.10 174.16 1kqg s VAL 953 N 1.57 5.18 0.01 2.92 1.01 -1.26 -1.30 120.40 128.53 1kqg s VAL 953 Ca 0.04 0.70 -0.23 0.00 0.00 0.00 0.00 61.98 62.49 1kqg s VAL 953 Cb -0.27 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.43 1kqg s VAL 953 CO 0.04 0.21 0.51 0.28 0.00 0.00 0.00 175.10 176.14 1kqg s THR 954 N 1.57 0.03 -1.20 3.92 -1.32 -0.63 -4.92 115.64 113.09 1kqg s THR 954 Ca 0.19 -0.25 0.19 0.00 -1.21 0.00 0.00 61.69 60.60 1kqg s THR 954 Cb -0.15 -0.90 0.24 0.00 -1.51 0.00 0.00 72.50 70.17 1kqg s THR 954 CO 0.08 -0.14 1.59 0.54 -2.21 0.00 0.00 174.62 174.48 1kqg n ARG 955 N 0.74 0.13 0.25 7.08 1.74 -1.26 -2.77 116.66 122.57 1kqg n ARG 955 Ca -0.19 0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.16 1kqg n ARG 955 Cb 0.58 -1.50 0.66 0.00 -1.02 0.00 0.00 32.46 31.18 1kqg n ARG 955 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kqg h ARG 956 N 0.00 0.00 -5.46 5.56 3.08 -1.94 -3.39 114.38 112.24 1kqg h ARG 956 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1kqg h ARG 956 Cb 0.25 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.07 1kqg h ARG 956 CO 0.00 0.15 -0.71 -0.51 -1.07 0.00 0.00 179.97 177.83 1kqg s LEU 957 N -7.06 3.03 -0.02 3.04 1.02 -1.11 -1.38 118.68 116.20 1kqg s LEU 957 Ca -0.02 -0.19 -0.04 0.00 0.02 0.00 0.00 54.13 53.90 1kqg s LEU 957 Cb 0.12 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.63 1kqg s LEU 957 CO 0.59 0.20 0.10 -0.54 0.02 0.00 0.00 176.35 176.73 1kqg s LYS 958 N 0.15 0.26 0.61 1.70 1.02 -1.26 -4.29 119.74 117.94 1kqg s LYS 958 Ca -0.04 -0.10 -0.18 0.00 0.02 0.00 0.00 55.97 55.67 1kqg s LYS 958 Cb -0.14 0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1kqg s LYS 958 CO 0.04 -0.05 1.18 -1.25 -0.92 0.00 0.00 175.35 174.35 1kqg s PRO 959 N -0.56 2.88 0.17 -1.68 0.04 -1.26 -4.82 135.00 129.78 1kqg s PRO 959 Ca -0.06 1.73 0.10 0.00 0.04 0.00 0.00 61.00 62.81 1kqg s PRO 959 Cb -0.04 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1kqg s PRO 959 CO 0.00 -1.26 -0.16 -0.51 0.04 0.00 0.00 177.00 175.12 1kqg s LEU 960 N -4.29 2.74 -0.39 -3.56 1.43 -0.46 -4.92 118.68 109.23 1kqg s LEU 960 Ca 0.75 -0.68 -0.22 0.00 -1.03 0.00 0.00 54.13 52.95 1kqg s LEU 960 Cb -0.28 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1kqg s LEU 960 CO 0.35 0.12 0.72 0.20 0.23 0.00 0.00 176.35 177.98 1kqg s ASN 961 N -2.65 6.46 -0.09 2.29 0.01 -1.26 -0.50 114.94 119.21 1kqg s ASN 961 Ca 0.22 0.13 -0.00 0.00 -0.71 0.00 0.00 52.86 52.50 1kqg s ASN 961 Cb -0.09 -2.36 0.02 0.00 0.41 0.00 0.00 41.25 39.23 1kqg s ASN 961 CO 0.12 -0.73 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.23 1kqg s VAL 962 N 2.99 0.83 -1.50 1.60 1.01 -0.49 -4.27 120.40 120.56 1kqg s VAL 962 Ca 0.28 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1kqg s VAL 962 Cb -0.13 -0.87 0.05 0.00 0.00 0.00 0.00 36.38 35.43 1kqg s VAL 962 CO 0.18 0.32 0.53 -3.20 0.00 0.00 0.00 175.10 172.93 1kqg n ASN 963 N 4.71 -1.31 0.00 3.32 5.15 -0.02 -0.11 115.26 127.00 1kqg n ASN 963 Ca -0.14 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.83 1kqg n ASN 963 Cb 0.50 -2.95 0.00 0.00 -0.53 0.00 0.00 39.78 36.80 1kqg n ASN 963 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kqg n GLY 964 N -1.83 0.75 3.75 8.20 0.00 -1.26 -5.02 105.19 109.78 1kqg n GLY 964 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1kqg n GLY 964 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kqg s GLN 965 N -0.23 2.27 -0.32 1.61 -0.21 0.85 -5.11 119.66 118.52 1kqg s GLN 965 Ca 0.00 -1.76 -0.12 0.00 0.02 0.00 0.00 55.36 53.51 1kqg s GLN 965 Cb 0.00 -2.05 -0.02 0.00 1.00 0.00 0.00 33.01 31.94 1kqg s GLN 965 CO 0.00 -0.07 0.21 -0.65 -2.12 0.00 0.00 175.29 172.65 1kqg s GLN 966 N -3.91 3.54 -0.19 2.91 -1.52 -1.26 -1.40 119.66 117.83 1kqg s GLN 966 Ca 0.41 -0.60 -0.07 0.00 -1.95 0.00 0.00 55.36 53.14 1kqg s GLN 966 Cb 0.02 -3.71 -0.04 0.00 -0.22 0.00 0.00 33.01 29.05 1kqg s GLN 966 CO 0.23 -0.39 0.06 0.08 -0.25 0.00 0.00 175.29 175.03 1kqg s VAL 967 N 1.70 4.75 0.12 1.09 1.01 0.35 -4.92 120.40 124.51 1kqg s VAL 967 Ca 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1kqg s VAL 967 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1kqg s VAL 967 CO 0.09 0.45 0.03 -1.61 0.00 0.00 0.00 175.10 174.07 1kqg s GLU 968 N 0.48 2.61 0.02 2.72 0.41 -1.26 -1.36 118.70 122.33 1kqg s GLU 968 Ca 0.03 -0.89 0.08 0.00 -0.41 0.00 0.00 54.97 53.79 1kqg s GLU 968 Cb -0.13 -2.54 -0.03 0.00 -1.78 0.00 0.00 34.13 29.66 1kqg s GLU 968 CO 0.01 0.51 -0.25 0.99 -0.49 0.00 0.00 175.26 176.03 1kqg s THR 969 N -1.50 2.21 -0.21 3.63 2.01 -1.26 -0.14 115.64 120.38 1kqg s THR 969 Ca 0.27 -1.26 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 1kqg s THR 969 Cb -0.11 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1kqg s THR 969 CO 0.20 0.44 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.82 1kqg s VAL 970 N -0.75 3.31 -0.17 3.82 1.01 0.54 -4.51 120.40 123.65 1kqg s VAL 970 Ca 0.11 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 1kqg s VAL 970 Cb -0.10 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1kqg s VAL 970 CO 0.01 0.44 0.37 -0.83 0.00 0.00 0.00 175.10 175.09 1kqg s GLY 971 N 1.36 2.18 -0.36 4.51 0.00 0.32 -2.62 107.32 112.72 1kqg s GLY 971 Ca 0.04 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.34 1kqg s GLY 971 CO -0.03 0.67 0.09 -0.42 0.00 0.00 0.00 173.10 173.41 1kqg s ILE 972 N 0.90 1.96 0.62 0.90 1.09 -0.17 -0.48 121.20 126.03 1kqg s ILE 972 Ca 0.19 -2.27 -0.19 0.00 -1.10 0.00 0.00 60.65 57.29 1kqg s ILE 972 Cb -0.14 -2.44 -0.02 0.00 -1.06 0.00 0.00 42.46 38.79 1kqg s ILE 972 CO 0.07 -0.65 1.28 -2.65 -0.10 0.00 0.00 174.94 172.88 1kqg n PRO 973 N 4.21 1.23 -0.87 2.79 -0.02 -1.26 -2.87 135.00 138.22 1kqg n PRO 973 Ca 0.03 0.47 0.05 0.00 -2.02 0.00 0.00 63.50 62.03 1kqg n PRO 973 Cb 0.40 -2.51 0.37 0.00 -0.02 0.00 0.00 33.50 31.75 1kqg n PRO 973 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1kqg n ILE 974 N -1.70 2.75 1.09 4.25 -5.35 -0.66 -4.73 119.36 115.01 1kqg n ILE 974 Ca 0.14 -1.52 0.12 0.00 -0.27 0.00 0.00 62.75 61.23 1kqg n ILE 974 Cb 0.47 -0.29 0.29 0.00 -1.74 0.00 0.00 39.64 38.37 1kqg n ILE 974 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1kqg n HIS 975 N 0.34 0.00 -3.90 4.28 8.25 -1.26 -4.50 115.22 118.43 1kqg n HIS 975 Ca 0.29 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.54 1kqg n HIS 975 Cb 1.20 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 32.07 1kqg n HIS 975 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1kqg s TRP 976 N -2.82 3.13 0.00 4.41 0.51 -1.26 -4.49 118.94 118.42 1kqg s TRP 976 Ca 0.16 -0.16 0.00 0.00 -2.12 0.00 0.00 56.10 53.98 1kqg s TRP 976 Cb 0.18 -1.63 0.00 0.00 -0.81 0.00 0.00 33.47 31.21 1kqg s TRP 976 CO 0.64 0.33 0.00 0.41 -0.51 0.00 0.00 176.95 177.82 1kqg n GLY 977 N -1.35 2.02 0.36 0.98 0.00 -1.26 -4.08 105.19 101.84 1kqg n GLY 977 Ca -0.05 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1kqg n GLY 977 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1kqg n PHE 978 N 0.00 0.26 -4.66 1.61 -1.74 -1.26 -0.41 117.46 111.26 1kqg n PHE 978 Ca 0.00 -0.50 -0.22 0.00 -0.56 0.00 0.00 57.45 56.17 1kqg n PHE 978 Cb 0.00 -0.04 -0.15 0.00 1.52 0.00 0.00 39.48 40.81 1kqg n PHE 978 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1kqg s GLU 979 N -1.00 1.17 0.00 3.97 0.41 -1.26 -5.02 118.70 116.96 1kqg s GLU 979 Ca 0.13 -0.51 0.00 0.00 -0.41 0.00 0.00 54.97 54.18 1kqg s GLU 979 Cb 0.07 -1.12 0.00 0.00 -1.78 0.00 0.00 34.13 31.29 1kqg s GLU 979 CO 0.09 0.30 0.00 0.41 -0.49 0.00 0.00 175.26 175.57 1kqg n GLY 980 N 2.74 1.35 0.74 -1.39 0.00 -1.26 -4.78 105.19 102.60 1kqg n GLY 980 Ca -0.14 -1.97 0.10 0.00 0.00 0.00 0.00 46.02 44.01 1kqg n GLY 980 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kqg n VAL 981 N -1.87 0.00 -2.27 1.61 0.24 0.02 -4.93 118.33 111.13 1kqg n VAL 981 Ca 0.00 -0.45 -0.26 0.00 -2.04 0.00 0.00 64.34 61.59 1kqg n VAL 981 Cb 0.00 1.39 0.12 0.00 -1.47 0.00 0.00 33.84 33.88 1kqg n VAL 981 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kqg s ALA 982 N -1.85 3.09 0.32 2.33 0.00 -1.14 -4.98 121.76 119.53 1kqg s ALA 982 Ca 0.22 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 1kqg s ALA 982 Cb 0.17 -2.42 -0.10 0.00 0.00 0.00 0.00 23.12 20.77 1kqg s ALA 982 CO 0.31 -1.70 1.26 1.03 0.00 0.00 0.00 175.76 176.66 1kqg s ARG 983 N -5.40 4.42 0.47 0.00 0.52 0.53 -4.93 118.95 114.56 1kqg s ARG 983 Ca 0.67 2.12 -0.24 0.00 -0.52 0.00 0.00 55.73 57.76 1kqg s ARG 983 Cb -0.07 -3.10 -0.08 0.00 0.52 0.00 0.00 34.95 32.23 1kqg s ARG 983 CO 0.47 -0.10 1.39 1.17 0.02 0.00 0.00 175.30 178.25 1kqg n LYS 984 N 0.91 2.05 0.00 3.54 4.81 -1.26 -4.71 118.16 123.50 1kqg n LYS 984 Ca -0.00 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1kqg n LYS 984 Cb 0.42 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.90 1kqg n LYS 984 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kqg n GLY 985 N 0.66 4.37 3.36 3.14 0.00 0.45 -4.87 105.19 112.31 1kqg n GLY 985 Ca 0.07 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1kqg n GLY 985 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kqg s TYR 986 N -1.54 2.40 0.09 1.61 1.51 -1.26 -4.29 117.35 115.88 1kqg s TYR 986 Ca 0.00 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.38 1kqg s TYR 986 Cb 0.00 -1.48 -0.10 0.00 -0.11 0.00 0.00 41.96 40.28 1kqg s TYR 986 CO 0.00 0.08 1.89 0.42 -1.11 0.00 0.00 175.55 176.83 1kqg s ILE 987 N -0.73 2.73 0.48 2.71 -1.09 -1.26 -4.52 121.20 119.52 1kqg s ILE 987 Ca 0.11 0.03 0.14 0.00 -2.23 0.00 0.00 60.65 58.70 1kqg s ILE 987 Cb -0.10 -3.02 0.28 0.00 -1.58 0.00 0.00 42.46 38.04 1kqg s ILE 987 CO 0.01 -0.00 2.10 0.00 -1.23 0.00 0.00 174.94 175.82 1kqg h ALA 988 N 9.44 1.95 0.00 9.38 0.00 -1.86 -1.98 119.26 136.19 1kqg h ALA 988 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1kqg h ALA 988 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kqg h ALA 988 CO 0.95 0.03 0.00 0.09 0.00 0.00 0.00 179.25 180.31 1kqg n ASN 989 N -4.50 0.00 0.28 0.00 5.03 -1.26 -1.66 115.26 113.15 1kqg n ASN 989 Ca 0.01 -0.09 0.14 0.00 0.87 0.00 0.00 54.58 55.51 1kqg n ASN 989 Cb 0.14 -0.18 0.84 0.00 -1.02 0.00 0.00 39.78 39.56 1kqg n ASN 989 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 1kqg h THR 990 N 0.00 0.59 0.00 3.41 2.02 -1.69 0.20 112.91 117.45 1kqg h THR 990 Ca 0.00 -0.13 -0.16 0.00 0.77 0.00 0.00 66.41 66.89 1kqg h THR 990 Cb 0.07 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1kqg h THR 990 CO 0.00 0.03 -1.55 0.18 0.37 0.00 0.00 175.52 174.55 1kqg n LEU 991 N -3.88 0.67 -4.85 2.58 4.77 -0.66 -3.71 117.00 111.92 1kqg n LEU 991 Ca -0.03 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 55.92 1kqg n LEU 991 Cb 0.12 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1kqg n LEU 991 CO 0.29 0.14 0.58 0.42 -1.33 0.00 0.00 177.39 177.48 1kqg s THR 992 N -2.98 4.60 0.38 -5.08 -4.23 -1.19 -4.75 115.64 102.38 1kqg s THR 992 Ca -0.04 1.06 -0.23 0.00 -1.18 0.00 0.00 61.69 61.30 1kqg s THR 992 Cb 0.09 -3.69 -0.10 0.00 1.34 0.00 0.00 72.50 70.14 1kqg s THR 992 CO 0.82 -0.52 0.94 -2.16 -0.54 0.00 0.00 174.62 173.16 1kqg s PRO 993 N -3.72 4.38 -1.19 3.99 0.04 -1.26 -2.36 135.00 134.88 1kqg s PRO 993 Ca 0.57 1.20 -0.07 0.00 0.04 0.00 0.00 61.00 62.74 1kqg s PRO 993 Cb -0.10 -2.47 0.23 0.00 0.04 0.00 0.00 34.50 32.20 1kqg s PRO 993 CO 0.26 0.12 1.75 -1.71 0.04 0.00 0.00 177.00 177.46 1kqg n ASN 994 N -0.08 5.91 -3.78 6.66 5.15 -1.26 -4.53 115.26 123.33 1kqg n ASN 994 Ca 0.04 -3.26 -0.12 0.00 -0.60 0.00 0.00 54.58 50.64 1kqg n ASN 994 Cb 0.52 -1.37 -0.08 0.00 -0.53 0.00 0.00 39.78 38.32 1kqg n ASN 994 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1kqg s VAL 995 N -1.22 0.08 0.19 3.44 0.11 -1.26 -4.84 120.40 116.90 1kqg s VAL 995 Ca 0.37 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1kqg s VAL 995 Cb 0.09 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1kqg s VAL 995 CO 0.04 -0.38 0.23 0.61 -3.33 0.00 0.00 175.10 172.26 1kqg n GLY 996 N 0.80 2.91 3.63 6.54 0.00 -1.26 -1.08 105.19 116.74 1kqg n GLY 996 Ca -0.20 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1kqg n GLY 996 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kqg n ASP 997 N -2.03 1.55 0.29 1.61 2.03 0.10 -4.55 116.55 115.57 1kqg n ASP 997 Ca 0.02 1.06 0.19 0.00 0.52 0.00 0.00 54.79 56.59 1kqg n ASP 997 Cb 0.33 -1.38 0.93 0.00 -0.72 0.00 0.00 41.12 40.28 1kqg n ASP 997 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kqg h ALA 998 N 1.69 1.00 0.00 -1.67 0.00 -1.81 -0.69 119.26 117.78 1kqg h ALA 998 Ca -0.45 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.17 1kqg h ALA 998 Cb 1.33 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1kqg h ALA 998 CO 0.58 0.00 -1.87 0.09 0.00 0.00 0.00 179.25 178.05 1kqg n ASN 999 N -2.99 1.93 -0.20 0.00 3.02 -1.26 -4.74 115.26 111.02 1kqg n ASN 999 Ca -0.01 0.36 0.08 0.00 -0.03 0.00 0.00 54.58 54.99 1kqg n ASN 999 Cb 0.17 -0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 38.47 1kqg n ASN 999 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1kqg n SER 1000N -4.35 1.26 -0.53 6.41 3.41 -1.24 -4.99 113.62 113.60 1kqg n SER 1000Ca -0.38 -1.13 -0.06 0.00 -0.26 0.00 0.00 58.87 57.04 1kqg n SER 1000Cb 0.73 0.75 -0.01 0.00 -0.26 0.00 0.00 64.21 65.41 1kqg n SER 1000CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kqg n GLN 1001N -0.77 -0.41 -2.48 4.33 1.13 -0.27 -4.92 117.38 113.99 1kqg n GLN 1001Ca 0.05 0.49 -0.42 0.00 -1.94 0.00 0.00 57.00 55.18 1kqg n GLN 1001Cb 0.32 -4.26 -0.03 0.00 0.11 0.00 0.00 30.24 26.38 1kqg n GLN 1001CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1kqg s THR 1002N -2.24 4.22 0.68 5.09 2.01 -1.25 -4.49 115.64 119.66 1kqg s THR 1002Ca 0.00 1.59 -0.17 0.00 0.31 0.00 0.00 61.69 63.42 1kqg s THR 1002Cb 0.00 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1kqg s THR 1002CO 0.00 0.10 1.26 -2.84 -0.69 0.00 0.00 174.62 172.45 1kqg s PRO 1003N 1.28 2.37 -1.37 4.92 0.02 -1.26 0.01 135.00 140.97 1kqg s PRO 1003Ca 0.57 1.94 -0.08 0.00 0.02 0.00 0.00 61.00 63.45 1kqg s PRO 1003Cb -0.27 -1.84 0.10 0.00 0.02 0.00 0.00 34.50 32.51 1kqg s PRO 1003CO 0.28 -1.71 2.28 -1.91 -0.33 0.00 0.00 177.00 175.61 1kqg n GLU 1004N -2.24 3.96 0.12 5.54 2.13 -0.24 -3.83 120.64 126.07 1kqg n GLU 1004Ca 0.15 -3.21 0.13 0.00 0.66 0.00 0.00 57.16 54.89 1kqg n GLU 1004Cb 0.49 -2.82 0.44 0.00 0.27 0.00 0.00 31.44 29.82 1kqg n GLU 1004CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1kqg n TYR 1005N 3.16 0.91 1.02 4.31 4.01 -1.17 -3.64 117.16 125.76 1kqg n TYR 1005Ca 0.56 0.30 0.11 0.00 -0.16 0.00 0.00 57.90 58.71 1kqg n TYR 1005Cb 0.30 -0.99 0.01 0.00 -0.31 0.00 0.00 39.34 38.35 1kqg n TYR 1005CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1kqg n LYS 1006N -2.28 0.92 -3.30 -0.72 4.76 -1.10 -3.03 118.16 113.40 1kqg n LYS 1006Ca 0.04 -0.74 -0.07 0.00 -2.87 0.00 0.00 58.31 54.67 1kqg n LYS 1006Cb 0.35 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.99 1kqg n LYS 1006CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kqg s ALA 1007N -2.60 -1.34 0.00 7.82 0.00 -1.24 -4.52 121.76 119.89 1kqg s ALA 1007Ca 0.17 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1kqg s ALA 1007Cb 0.18 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1kqg s ALA 1007CO 0.63 -1.44 0.00 1.97 0.00 0.00 0.00 175.76 176.92 1kqg n PHE 1008N 5.37 -0.32 -4.78 0.00 -1.74 -0.71 -4.67 117.46 110.61 1kqg n PHE 1008Ca -0.02 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.63 1kqg n PHE 1008Cb 0.50 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.35 1kqg n PHE 1008CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1kqg s LEU 1009N 0.00 2.00 0.22 5.98 1.43 -1.26 -1.19 118.68 125.86 1kqg s LEU 1009Ca 0.00 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1kqg s LEU 1009Cb 0.00 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1kqg s LEU 1009CO 0.00 0.19 0.13 0.68 0.23 0.00 0.00 176.35 177.58 1kqg s VAL 1010N -0.29 0.18 0.20 -1.59 -7.23 0.37 -4.62 120.40 107.40 1kqg s VAL 1010Ca 0.04 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.30 1kqg s VAL 1010Cb -0.07 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1kqg s VAL 1010CO -0.00 0.00 -0.16 0.21 -0.31 0.00 0.00 175.10 174.84 1kqg s ASN 1011N -3.22 2.68 0.00 4.85 2.47 0.47 -1.51 114.94 120.69 1kqg s ASN 1011Ca 0.39 -0.96 0.02 0.00 0.42 0.00 0.00 52.86 52.72 1kqg s ASN 1011Cb 0.07 -0.16 -0.01 0.00 -1.45 0.00 0.00 41.25 39.71 1kqg s ASN 1011CO 0.13 -0.11 -0.06 -0.51 -3.72 0.00 0.00 177.10 172.84 1kqg s ILE 1012N -2.61 0.44 0.05 -5.21 2.07 -1.26 -0.62 121.20 114.07 1kqg s ILE 1012Ca 0.21 -0.33 0.01 0.00 -1.41 0.00 0.00 60.65 59.13 1kqg s ILE 1012Cb -0.03 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 1kqg s ILE 1012CO 0.07 0.06 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.49 1kqg s GLU 1013N -0.30 0.56 0.50 3.50 0.41 -0.26 -4.98 118.70 118.12 1kqg s GLU 1013Ca 0.01 -0.90 -0.23 0.00 -0.41 0.00 0.00 54.97 53.44 1kqg s GLU 1013Cb -0.03 -0.14 -0.06 0.00 -1.78 0.00 0.00 34.13 32.12 1kqg s GLU 1013CO -0.00 -0.00 1.36 0.15 -0.49 0.00 0.00 175.26 176.27 1kqg s LYS 1014N -2.27 3.44 0.00 1.61 1.02 -1.26 0.25 119.74 122.52 1kqg s LYS 1014Ca -0.05 2.24 0.00 0.00 0.02 0.00 0.00 55.97 58.18 1kqg s LYS 1014Cb -0.05 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1kqg s LYS 1014CO -0.02 -0.96 0.13 0.00 -0.92 0.00 0.00 175.35 173.58