#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw3 s PRO 14 N 0.00 4.43 0.40 3.97 0.05 -1.26 -5.04 135.00 137.56 3kw3 s PRO 14 Ca 0.00 0.98 -0.27 0.00 0.05 0.00 0.00 61.00 61.77 3kw3 s PRO 14 Cb 0.00 -3.28 -0.10 0.00 0.05 0.00 0.00 34.50 31.18 3kw3 s PRO 14 CO 0.00 0.54 1.42 0.00 0.05 0.00 0.00 177.00 179.01 3kw3 s ALA 15 N -0.90 3.39 -1.20 8.56 0.00 -1.26 -4.95 121.76 125.40 3kw3 s ALA 15 Ca 0.34 1.45 0.12 0.00 0.00 0.00 0.00 51.96 53.87 3kw3 s ALA 15 Cb -0.21 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.37 3kw3 s ALA 15 CO 0.23 -1.04 0.75 0.25 0.00 0.00 0.00 175.76 175.95 3kw3 n THR 16 N 0.19 0.00 -3.72 0.00 -2.24 -1.26 -4.93 114.28 102.32 3kw3 n THR 16 Ca 0.03 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 3kw3 n THR 16 Cb 0.41 1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.69 3kw3 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kw3 s ALA 17 N -1.29 -0.70 -0.03 6.98 0.00 -1.26 -0.05 121.76 125.40 3kw3 s ALA 17 Ca 0.11 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.25 3kw3 s ALA 17 Cb 0.09 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3kw3 s ALA 17 CO 0.23 -0.22 -0.09 0.42 0.00 0.00 0.00 175.76 176.11 3kw3 s ILE 18 N 1.30 0.79 -0.21 0.00 1.01 0.21 -1.41 121.20 122.89 3kw3 s ILE 18 Ca -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 3kw3 s ILE 18 Cb -0.10 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.66 3kw3 s ILE 18 CO -0.10 0.26 -0.10 0.00 0.00 0.00 0.00 174.94 175.00 3kw3 s ALA 19 N 0.34 2.64 -0.35 9.38 0.00 -0.03 -0.76 121.76 132.98 3kw3 s ALA 19 Ca -0.06 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 50.55 3kw3 s ALA 19 Cb -0.10 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 3kw3 s ALA 19 CO 0.01 -0.46 0.24 0.99 0.00 0.00 0.00 175.76 176.54 3kw3 s THR 20 N 1.40 5.12 -0.29 0.00 2.01 0.15 -0.62 115.64 123.42 3kw3 s THR 20 Ca 0.05 -0.39 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 3kw3 s THR 20 Cb -0.14 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 3kw3 s THR 20 CO -0.07 -0.08 0.13 -0.63 -0.69 0.00 0.00 174.62 173.28 3kw3 s ILE 21 N 1.68 4.58 -0.90 1.82 1.01 0.95 -1.21 121.20 129.14 3kw3 s ILE 21 Ca 0.05 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 3kw3 s ILE 21 Cb -0.18 -3.25 0.16 0.00 0.01 0.00 0.00 42.46 39.20 3kw3 s ILE 21 CO 0.09 0.18 1.03 -0.62 0.00 0.00 0.00 174.94 175.63 3kw3 s ASP 22 N 1.63 6.67 0.37 3.58 -1.08 0.11 -1.21 116.67 126.74 3kw3 s ASP 22 Ca 0.05 -2.23 0.09 0.00 -0.52 0.00 0.00 52.55 49.94 3kw3 s ASP 22 Cb -0.16 -2.35 0.73 0.00 -1.46 0.00 0.00 42.92 39.68 3kw3 s ASP 22 CO 0.06 -0.93 1.89 0.58 0.52 0.00 0.00 175.17 177.29 3kw3 h VAL 23 N 5.54 1.19 -0.30 1.11 2.07 -1.30 -2.00 116.25 122.56 3kw3 h VAL 23 Ca 0.14 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 3kw3 h VAL 23 Cb 1.03 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3kw3 h VAL 23 CO 1.01 0.27 -0.21 0.03 0.02 0.00 0.00 177.57 178.69 3kw3 h ARG 24 N 0.25 0.55 -0.37 1.57 3.08 -1.86 -1.03 114.38 116.58 3kw3 h ARG 24 Ca 0.05 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 3kw3 h ARG 24 Cb 0.42 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3kw3 h ARG 24 CO 0.03 0.73 -0.20 0.00 -1.07 0.00 0.00 179.97 179.45 3kw3 h ALA 25 N 1.28 0.96 -0.67 0.04 0.00 -1.70 -1.39 119.26 117.78 3kw3 h ALA 25 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3kw3 h ALA 25 Cb 0.64 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3kw3 h ALA 25 CO 0.05 0.61 0.19 0.82 0.00 0.00 0.00 179.25 180.91 3kw3 h ILE 26 N 0.62 1.26 -0.32 0.00 2.04 -0.83 -0.52 117.51 119.77 3kw3 h ILE 26 Ca 0.09 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 3kw3 h ILE 26 Cb 0.68 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3kw3 h ILE 26 CO 0.05 0.35 0.10 0.58 0.00 0.00 0.00 178.15 179.23 3kw3 h VAL 27 N 0.98 1.20 -0.83 1.67 2.07 -1.08 0.39 116.25 120.65 3kw3 h VAL 27 Ca 0.21 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.16 3kw3 h VAL 27 Cb 0.33 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3kw3 h VAL 27 CO -0.00 0.22 0.49 0.00 0.02 0.00 0.00 177.57 178.30 3kw3 h ALA 28 N 0.94 1.18 -0.52 1.67 0.00 -1.02 0.18 119.26 121.69 3kw3 h ALA 28 Ca 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kw3 h ALA 28 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3kw3 h ALA 28 CO -0.00 0.13 0.32 -0.91 0.00 0.00 0.00 179.25 178.79 3kw3 h ASN 29 N 0.83 0.62 0.01 0.00 2.35 -0.77 0.23 115.58 118.84 3kw3 h ASN 29 Ca 0.40 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.11 3kw3 h ASN 29 Cb 0.33 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3kw3 h ASN 29 CO -0.23 0.48 -0.07 0.22 -1.65 0.00 0.00 177.43 176.17 3kw3 h TYR 30 N 0.70 -0.17 -0.65 1.19 3.20 -0.01 -1.81 116.97 119.41 3kw3 h TYR 30 Ca 0.19 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.16 3kw3 h TYR 30 Cb -0.03 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.24 3kw3 h TYR 30 CO -0.03 -0.11 0.26 0.00 -1.64 0.00 0.00 178.16 176.64 3kw3 h ARG 31 N -0.13 0.43 -0.99 1.82 3.08 -0.49 0.38 114.38 118.49 3kw3 h ARG 31 Ca 0.03 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3kw3 h ARG 31 Cb 0.16 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 3kw3 h ARG 31 CO -0.07 0.29 0.63 1.15 -1.07 0.00 0.00 179.97 180.90 3kw3 h THR 32 N 0.45 1.02 0.05 2.04 2.02 -0.66 -1.55 112.91 116.28 3kw3 h THR 32 Ca 0.33 -0.37 -0.27 0.00 0.77 0.00 0.00 66.41 66.87 3kw3 h THR 32 Cb 0.42 -0.16 0.02 0.00 -1.74 0.00 0.00 68.15 66.69 3kw3 h THR 32 CO -0.32 0.20 -1.12 -0.07 0.37 0.00 0.00 175.52 174.58 3kw3 h LEU 33 N 1.09 0.82 -0.47 2.58 3.38 -0.44 -1.49 115.31 120.77 3kw3 h LEU 33 Ca 0.45 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3kw3 h LEU 33 Cb 0.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3kw3 h LEU 33 CO -0.21 1.51 0.28 0.00 0.09 0.00 0.00 178.44 180.11 3kw3 h ALA 34 N 0.42 0.61 -0.14 1.53 0.00 -0.62 -1.78 119.26 119.28 3kw3 h ALA 34 Ca -0.15 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 3kw3 h ALA 34 Cb 1.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3kw3 h ALA 34 CO 0.21 0.11 -0.62 1.96 0.00 0.00 0.00 179.25 180.91 3kw3 h GLN 35 N 0.63 0.48 -0.74 0.00 4.20 -1.33 0.20 115.11 118.55 3kw3 h GLN 35 Ca 0.17 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.58 3kw3 h GLN 35 Cb 0.02 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 3kw3 h GLN 35 CO -0.03 0.95 0.46 1.25 -0.67 0.00 0.00 178.83 180.79 3kw3 h HIS 36 N 0.36 0.86 -0.02 2.96 2.76 -0.86 -3.15 115.15 118.06 3kw3 h HIS 36 Ca -0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3kw3 h HIS 36 Cb 1.17 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.86 3kw3 h HIS 36 CO 0.04 0.47 -0.41 1.33 -1.30 0.00 0.00 177.93 178.06 3kw3 n VAL 37 N -4.66 0.00 -1.60 5.26 0.24 -0.70 -5.00 118.33 111.87 3kw3 n VAL 37 Ca 0.09 -0.27 -0.46 0.00 -2.04 0.00 0.00 64.34 61.66 3kw3 n VAL 37 Cb 0.11 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 3kw3 n VAL 37 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kw3 n ALA 38 N 0.06 -0.22 0.99 2.33 0.00 0.70 -0.82 120.51 123.54 3kw3 n ALA 38 Ca 0.10 0.42 0.05 0.00 0.00 0.00 0.00 53.44 54.01 3kw3 n ALA 38 Cb 0.47 -2.06 0.14 0.00 0.00 0.00 0.00 19.45 18.00 3kw3 n ALA 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3kw3 n PRO 39 N 1.28 1.75 -2.15 0.00 -0.05 -1.26 -5.04 135.00 129.52 3kw3 n PRO 39 Ca 0.12 -1.11 -0.42 0.00 -0.05 0.00 0.00 63.50 62.04 3kw3 n PRO 39 Cb 0.29 -1.27 -0.03 0.00 -0.05 0.00 0.00 33.50 32.45 3kw3 n PRO 39 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 3kw3 s THR 40 N -1.60 3.09 0.33 0.52 2.01 -0.00 -4.95 115.64 115.04 3kw3 s THR 40 Ca 0.21 0.87 -0.29 0.00 0.31 0.00 0.00 61.69 62.79 3kw3 s THR 40 Cb 0.11 -3.55 -0.11 0.00 0.01 0.00 0.00 72.50 68.96 3kw3 s THR 40 CO 0.14 0.11 1.42 -0.70 -0.69 0.00 0.00 174.62 174.90 3kw3 s GLU 41 N 0.18 4.24 -0.21 4.92 2.12 -1.24 -4.82 118.70 123.87 3kw3 s GLU 41 Ca 0.60 2.38 -0.03 0.00 0.36 0.00 0.00 54.97 58.28 3kw3 s GLU 41 Cb -0.38 -3.04 -0.00 0.00 0.26 0.00 0.00 34.13 30.97 3kw3 s GLU 41 CO 0.37 -0.38 -0.07 0.00 -0.54 0.00 0.00 175.26 174.63 3kw3 n SER 43 N 4.76 0.52 -4.01 0.00 3.41 -0.73 -4.61 113.62 112.96 3kw3 n SER 43 Ca -0.19 -1.49 -0.24 0.00 -0.26 0.00 0.00 58.87 56.69 3kw3 n SER 43 Cb 0.50 -0.39 -0.17 0.00 -0.26 0.00 0.00 64.21 63.90 3kw3 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kw3 s ALA 44 N -3.26 1.22 -0.37 7.33 0.00 0.84 -4.30 121.76 123.22 3kw3 s ALA 44 Ca 0.36 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 3kw3 s ALA 44 Cb -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3kw3 s ALA 44 CO 0.24 0.08 0.58 0.08 0.00 0.00 0.00 175.76 176.74 3kw3 s VAL 45 N 0.74 4.94 -0.37 0.00 1.01 -0.36 -1.41 120.40 124.95 3kw3 s VAL 45 Ca -0.13 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.26 3kw3 s VAL 45 Cb -0.16 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.29 3kw3 s VAL 45 CO 0.03 -0.32 0.11 0.68 0.00 0.00 0.00 175.10 175.60 3kw3 s VAL 46 N 2.57 1.91 -0.08 2.92 -7.23 -0.01 -4.55 120.40 115.93 3kw3 s VAL 46 Ca 0.21 -2.29 -0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3kw3 s VAL 46 Cb -0.15 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.40 3kw3 s VAL 46 CO 0.15 -0.67 0.01 0.00 -0.31 0.00 0.00 175.10 174.27 3kw3 n ALA 48 N 4.16 -0.73 -3.39 1.32 0.00 -1.26 -0.91 120.51 119.69 3kw3 n ALA 48 Ca 0.03 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 3kw3 n ALA 48 Cb 0.40 -0.07 0.09 0.00 0.00 0.00 0.00 19.45 19.87 3kw3 n ALA 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kw3 n ASN 49 N 0.30 -2.42 -3.72 0.00 5.15 -1.26 -0.63 115.26 112.68 3kw3 n ASN 49 Ca -0.01 -0.59 -0.24 0.00 -0.60 0.00 0.00 54.58 53.14 3kw3 n ASN 49 Cb 0.03 -4.95 0.03 0.00 -0.53 0.00 0.00 39.78 34.36 3kw3 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kw3 n ALA 50 N -4.10 -2.19 -3.45 5.20 0.00 -0.09 -1.16 120.51 114.73 3kw3 n ALA 50 Ca -0.25 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 52.77 3kw3 n ALA 50 Cb 0.65 -2.69 0.07 0.00 0.00 0.00 0.00 19.45 17.49 3kw3 n ALA 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kw3 n TYR 51 N -4.20 -2.65 -0.15 0.00 4.02 -0.97 -1.78 117.16 111.44 3kw3 n TYR 51 Ca -0.23 0.89 0.00 0.00 -0.01 0.00 0.00 57.90 58.55 3kw3 n TYR 51 Cb 0.65 -4.87 0.00 0.00 -0.02 0.00 0.00 39.34 35.10 3kw3 n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kw3 n GLY 52 N -1.89 1.58 0.05 2.72 0.00 0.20 -3.46 105.19 104.39 3kw3 n GLY 52 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 3kw3 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kw3 n LEU 53 N 0.00 0.89 0.00 0.99 4.77 -0.73 -4.91 117.00 118.01 3kw3 n LEU 53 Ca 0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3kw3 n LEU 53 Cb 0.00 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3kw3 n LEU 53 CO 0.00 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3kw3 n GLY 54 N 1.49 0.67 0.32 -0.72 0.00 -0.31 -4.90 105.19 101.74 3kw3 n GLY 54 Ca 0.05 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.51 3kw3 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kw3 h ALA 55 N 0.00 2.00 -0.05 4.61 0.00 -1.86 -1.67 119.26 122.29 3kw3 h ALA 55 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3kw3 h ALA 55 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kw3 h ALA 55 CO 0.00 -0.07 -0.25 1.12 0.00 0.00 0.00 179.25 180.06 3kw3 h HIS 56 N 0.26 0.10 0.14 0.00 2.07 -1.94 0.45 115.15 116.23 3kw3 h HIS 56 Ca 0.15 -0.01 -0.36 0.00 -2.85 0.00 0.00 60.37 57.30 3kw3 h HIS 56 Cb 0.28 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 30.23 3kw3 h HIS 56 CO -0.00 0.34 -1.94 0.87 -3.07 0.00 0.00 177.93 174.13 3kw3 h LYS 57 N 0.08 0.29 -0.08 5.12 1.79 -1.86 -3.40 116.57 118.52 3kw3 h LYS 57 Ca 0.01 -0.50 -0.12 0.00 -2.18 0.00 0.00 60.65 57.86 3kw3 h LYS 57 Cb 0.49 0.19 0.01 0.00 -1.58 0.00 0.00 32.23 31.33 3kw3 h LYS 57 CO 0.03 1.23 -0.42 0.82 -1.08 0.00 0.00 179.45 180.03 3kw3 h ILE 58 N 0.08 1.40 -0.55 1.86 2.04 -0.94 -3.23 117.51 118.17 3kw3 h ILE 58 Ca -0.40 -1.81 -0.10 0.00 1.00 0.00 0.00 64.86 63.54 3kw3 h ILE 58 Cb 2.05 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 40.42 3kw3 h ILE 58 CO 0.11 0.53 -0.07 0.00 0.00 0.00 0.00 178.15 178.72 3kw3 h ALA 59 N 0.43 0.75 -0.23 1.87 0.00 -1.17 -1.25 119.26 119.67 3kw3 h ALA 59 Ca -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3kw3 h ALA 59 Cb 1.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3kw3 h ALA 59 CO 0.09 0.63 -0.02 -1.35 0.00 0.00 0.00 179.25 178.60 3kw3 h PRO 60 N 0.90 0.34 -0.07 0.00 0.11 -1.76 -1.67 132.00 129.85 3kw3 h PRO 60 Ca 0.15 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.99 3kw3 h PRO 60 Cb 0.63 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3kw3 h PRO 60 CO 0.04 0.39 -0.82 0.00 -0.21 0.00 0.00 178.00 177.40 3kw3 h ALA 61 N 1.65 0.44 -0.65 -0.75 0.00 -1.42 -2.13 119.26 116.40 3kw3 h ALA 61 Ca 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3kw3 h ALA 61 Cb 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kw3 h ALA 61 CO 0.01 0.76 0.26 -0.07 0.00 0.00 0.00 179.25 180.21 3kw3 h LEU 62 N 0.33 0.86 -0.61 0.00 3.38 -1.12 -2.10 115.31 116.05 3kw3 h LEU 62 Ca -0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3kw3 h LEU 62 Cb 1.43 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3kw3 h LEU 62 CO 0.15 0.76 0.30 0.22 0.09 0.00 0.00 178.44 179.96 3kw3 h TYR 63 N 0.93 0.88 -0.27 1.13 3.20 -1.05 -0.66 116.97 121.13 3kw3 h TYR 63 Ca 0.22 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3kw3 h TYR 63 Cb 0.17 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3kw3 h TYR 63 CO 0.01 0.67 0.09 1.96 -1.64 0.00 0.00 178.16 179.25 3kw3 h GLN 64 N 0.84 0.37 0.00 1.82 1.08 -1.08 -1.10 115.11 117.04 3kw3 h GLN 64 Ca 0.21 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3kw3 h GLN 64 Cb 0.12 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3kw3 h GLN 64 CO -0.03 0.33 0.00 0.00 -0.95 0.00 0.00 178.83 178.18 3kw3 n ALA 65 N -2.49 2.63 0.00 3.87 0.00 -0.80 -4.87 120.51 118.86 3kw3 n ALA 65 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3kw3 n ALA 65 Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3kw3 n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kw3 n GLY 66 N 0.96 0.81 3.74 0.00 0.00 -0.42 -4.94 105.19 105.33 3kw3 n GLY 66 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3kw3 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kw3 n ARG 68 N 2.65 4.70 -5.08 0.00 5.12 -1.26 -4.25 116.66 118.53 3kw3 n ARG 68 Ca 0.05 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.65 3kw3 n ARG 68 Cb 0.44 -0.37 -0.17 0.00 -1.16 0.00 0.00 32.46 31.20 3kw3 n ARG 68 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3kw3 s THR 69 N -0.73 2.20 -0.06 0.55 2.01 -1.26 -0.58 115.64 117.76 3kw3 s THR 69 Ca 0.00 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.05 3kw3 s THR 69 Cb 0.00 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.67 3kw3 s THR 69 CO 0.00 0.55 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.03 3kw3 s PHE 70 N 0.41 1.25 -0.17 4.92 0.08 0.50 -0.11 117.98 124.86 3kw3 s PHE 70 Ca -0.16 -0.46 -0.05 0.00 0.12 0.00 0.00 56.93 56.38 3kw3 s PHE 70 Cb -0.17 -0.97 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 3kw3 s PHE 70 CO 0.07 -0.27 0.00 -0.06 -0.10 0.00 0.00 175.22 174.86 3kw3 s PHE 71 N 0.84 3.12 0.41 0.36 0.08 -0.50 -0.85 117.98 121.42 3kw3 s PHE 71 Ca -0.12 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 56.81 3kw3 s PHE 71 Cb -0.15 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 3kw3 s PHE 71 CO 0.02 0.03 0.06 0.14 -0.10 0.00 0.00 175.22 175.36 3kw3 s VAL 72 N 0.40 1.14 -0.20 -0.44 -7.23 -0.70 -0.83 120.40 112.54 3kw3 s VAL 72 Ca -0.01 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 3kw3 s VAL 72 Cb -0.13 -2.56 -0.19 0.00 0.56 0.00 0.00 36.38 34.06 3kw3 s VAL 72 CO 0.02 0.00 0.16 0.00 -0.31 0.00 0.00 175.10 174.97 3kw3 n ALA 73 N -0.93 0.86 -2.52 1.32 0.00 -1.26 -0.53 120.51 117.45 3kw3 n ALA 73 Ca -0.08 -0.59 -0.25 0.00 0.00 0.00 0.00 53.44 52.53 3kw3 n ALA 73 Cb 0.66 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 3kw3 n ALA 73 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kw3 s GLN 74 N -2.42 1.85 0.16 0.00 -0.21 -1.26 -1.93 119.66 115.85 3kw3 s GLN 74 Ca -0.29 -1.54 -0.19 0.00 0.02 0.00 0.00 55.36 53.36 3kw3 s GLN 74 Cb 0.07 -1.95 0.06 0.00 1.00 0.00 0.00 33.01 32.19 3kw3 s GLN 74 CO 0.61 0.37 1.65 0.82 -2.12 0.00 0.00 175.29 176.63 3kw3 h ILE 75 N 2.49 0.52 -0.76 1.08 2.04 -1.95 -1.42 117.51 119.50 3kw3 h ILE 75 Ca -0.44 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.53 3kw3 h ILE 75 Cb 1.24 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3kw3 h ILE 75 CO 0.56 0.00 0.50 -0.08 0.00 0.00 0.00 178.15 179.13 3kw3 h GLU 76 N -0.11 0.63 -0.14 2.37 4.57 -1.99 0.12 114.58 120.03 3kw3 h GLU 76 Ca 0.16 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.18 3kw3 h GLU 76 Cb 0.36 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3kw3 h GLU 76 CO -0.39 0.42 -0.44 0.93 -1.18 0.00 0.00 179.01 178.35 3kw3 h GLU 77 N 0.65 0.34 -0.37 1.92 5.08 -1.73 -1.42 114.58 119.04 3kw3 h GLU 77 Ca 0.36 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3kw3 h GLU 77 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3kw3 h GLU 77 CO -0.13 0.72 -0.15 0.00 -1.00 0.00 0.00 179.01 178.46 3kw3 h ALA 78 N 1.25 0.52 -0.74 3.43 0.00 -0.03 -2.45 119.26 121.23 3kw3 h ALA 78 Ca 0.02 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3kw3 h ALA 78 Cb 0.89 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3kw3 h ALA 78 CO 0.07 0.43 0.22 -0.07 0.00 0.00 0.00 179.25 179.91 3kw3 h LEU 79 N 0.56 1.09 -0.36 0.00 3.38 -0.69 -0.99 115.31 118.30 3kw3 h LEU 79 Ca 0.09 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3kw3 h LEU 79 Cb 0.68 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3kw3 h LEU 79 CO 0.05 1.02 0.10 1.56 0.09 0.00 0.00 178.44 181.26 3kw3 h GLN 80 N 1.11 0.23 -0.64 1.13 4.20 -1.22 -1.73 115.11 118.19 3kw3 h GLN 80 Ca 0.24 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 3kw3 h GLN 80 Cb 0.32 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3kw3 h GLN 80 CO -0.01 0.15 0.35 -0.07 -0.67 0.00 0.00 178.83 178.58 3kw3 h LEU 81 N 0.24 0.81 -1.77 1.46 3.38 -1.14 -2.13 115.31 116.16 3kw3 h LEU 81 Ca 0.17 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3kw3 h LEU 81 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3kw3 h LEU 81 CO -0.20 0.68 0.26 0.11 0.09 0.00 0.00 178.44 179.38 3kw3 h LYS 82 N 0.88 0.27 0.00 1.13 1.79 -0.74 -1.43 116.57 118.47 3kw3 h LYS 82 Ca 0.23 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3kw3 h LYS 82 Cb 0.05 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3kw3 h LYS 82 CO -0.04 0.18 -0.03 0.00 -1.08 0.00 0.00 179.45 178.49 3kw3 n ALA 83 N -2.53 2.32 0.01 3.86 0.00 -0.69 -3.64 120.51 119.83 3kw3 n ALA 83 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kw3 n ALA 83 Cb 0.25 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3kw3 n ALA 83 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kw3 n VAL 84 N -2.23 0.32 -4.40 0.00 0.24 -0.76 -5.05 118.33 106.45 3kw3 n VAL 84 Ca 0.06 -0.66 -0.27 0.00 -2.04 0.00 0.00 64.34 61.42 3kw3 n VAL 84 Cb 0.43 0.85 -0.12 0.00 -1.47 0.00 0.00 33.84 33.52 3kw3 n VAL 84 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kw3 s LEU 85 N -0.34 2.38 0.00 1.34 1.43 -0.61 -4.61 118.68 118.26 3kw3 s LEU 85 Ca 0.00 -0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 52.23 3kw3 s LEU 85 Cb 0.00 -1.15 0.11 0.00 0.03 0.00 0.00 46.19 45.18 3kw3 s LEU 85 CO 0.00 0.13 0.34 -2.65 0.23 0.00 0.00 176.35 174.41 3kw3 n PRO 86 N 0.59 -2.01 0.04 1.29 -0.02 -1.26 -4.88 135.00 128.74 3kw3 n PRO 86 Ca -0.15 -0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 60.64 3kw3 n PRO 86 Cb 0.55 -0.56 -0.14 0.00 -0.02 0.00 0.00 33.50 33.33 3kw3 n PRO 86 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kw3 h GLU 87 N 0.00 0.13 -2.10 -0.52 4.39 -2.01 -3.37 114.58 111.09 3kw3 h GLU 87 Ca -0.13 -0.23 -0.17 0.00 0.34 0.00 0.00 59.36 59.16 3kw3 h GLU 87 Cb 0.42 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 3kw3 h GLU 87 CO 0.09 0.93 -0.28 0.27 -1.16 0.00 0.00 179.01 178.86 3kw3 n ASN 88 N -3.33 4.74 -4.29 1.42 6.94 -1.26 -4.83 115.26 114.65 3kw3 n ASN 88 Ca -0.14 -2.38 -0.20 0.00 -0.02 0.00 0.00 54.58 51.83 3kw3 n ASN 88 Cb 1.02 -1.28 -0.11 0.00 -2.36 0.00 0.00 39.78 37.05 3kw3 n ASN 88 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3kw3 s VAL 89 N 1.20 1.62 -0.23 3.53 -7.23 -1.26 -4.91 120.40 113.12 3kw3 s VAL 89 Ca 0.60 -1.82 -0.08 0.00 -1.81 0.00 0.00 61.98 58.87 3kw3 s VAL 89 Cb 0.29 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3kw3 s VAL 89 CO -0.00 -0.35 0.10 -0.32 -0.31 0.00 0.00 175.10 174.22 3kw3 s MET 90 N -2.71 3.84 -0.29 4.82 1.75 0.25 -5.03 119.30 121.94 3kw3 s MET 90 Ca 0.13 -0.39 -0.02 0.00 -1.25 0.00 0.00 55.69 54.16 3kw3 s MET 90 Cb -0.06 -3.36 0.04 0.00 2.84 0.00 0.00 34.83 34.29 3kw3 s MET 90 CO 0.05 -0.02 -0.01 0.42 -0.65 0.00 0.00 175.02 174.81 3kw3 s ILE 91 N 1.19 2.98 0.10 10.11 1.01 -1.26 -0.37 121.20 134.97 3kw3 s ILE 91 Ca 0.05 -1.29 0.04 0.00 0.00 0.00 0.00 60.65 59.45 3kw3 s ILE 91 Cb -0.14 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 3kw3 s ILE 91 CO 0.04 -0.04 0.05 0.00 0.00 0.00 0.00 174.94 174.99 3kw3 s ALA 92 N 1.27 3.44 -0.50 9.38 0.00 -0.03 -0.92 121.76 134.40 3kw3 s ALA 92 Ca -0.04 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 3kw3 s ALA 92 Cb -0.19 -1.31 0.13 0.00 0.00 0.00 0.00 23.12 21.75 3kw3 s ALA 92 CO -0.02 0.69 0.32 -1.17 0.00 0.00 0.00 175.76 175.59 3kw3 s LEU 93 N -2.47 5.40 0.39 0.00 2.96 0.68 -1.72 118.68 123.92 3kw3 s LEU 93 Ca 0.28 -2.27 0.06 0.00 -0.22 0.00 0.00 54.13 51.98 3kw3 s LEU 93 Cb -0.12 -1.89 0.78 0.00 0.50 0.00 0.00 46.19 45.47 3kw3 s LEU 93 CO 0.21 -0.53 2.02 -0.07 -1.32 0.00 0.00 176.35 176.66 3kw3 h LEU 94 N 7.84 0.51 -1.07 -0.68 3.38 -0.89 -1.18 115.31 123.22 3kw3 h LEU 94 Ca -0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kw3 h LEU 94 Cb 1.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3kw3 h LEU 94 CO 0.74 0.40 0.00 0.59 0.09 0.00 0.00 178.44 180.27 3kw3 n ASN 95 N -4.44 1.56 0.00 -0.43 3.02 -0.81 -4.76 115.26 109.40 3kw3 n ASN 95 Ca 0.03 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 3kw3 n ASN 95 Cb 0.08 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 3kw3 n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kw3 n GLY 96 N 0.96 0.22 3.45 7.41 0.00 -0.55 -4.82 105.19 111.86 3kw3 n GLY 96 Ca 0.10 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 3kw3 n GLY 96 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kw3 s PHE 97 N 0.00 2.44 0.80 1.61 -0.12 -1.26 -4.85 117.98 116.60 3kw3 s PHE 97 Ca 0.00 -0.31 -0.10 0.00 -0.05 0.00 0.00 56.93 56.47 3kw3 s PHE 97 Cb 0.00 -1.29 0.08 0.00 -0.63 0.00 0.00 43.02 41.18 3kw3 s PHE 97 CO 0.00 0.39 1.10 -1.25 -0.05 0.00 0.00 175.22 175.41 3kw3 s PRO 98 N -2.23 1.98 0.02 1.99 0.04 -1.26 -4.91 135.00 130.64 3kw3 s PRO 98 Ca 0.17 1.22 -0.36 0.00 0.04 0.00 0.00 61.00 62.07 3kw3 s PRO 98 Cb -0.10 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 3kw3 s PRO 98 CO 0.09 -1.86 1.52 0.72 0.04 0.00 0.00 177.00 177.52 3kw3 n HIS 99 N -3.67 1.87 -1.57 0.56 8.25 -1.26 -1.59 115.22 117.81 3kw3 n HIS 99 Ca 0.09 0.47 -0.14 0.00 -0.26 0.00 0.00 57.72 57.88 3kw3 n HIS 99 Cb 0.53 -2.44 -0.05 0.00 1.12 0.00 0.00 29.99 29.15 3kw3 n HIS 99 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kw3 n LYS 100 N 3.64 -1.02 -0.04 -0.41 4.01 -1.26 -4.84 118.16 118.24 3kw3 n LYS 100 Ca 0.20 0.95 0.08 0.00 -0.51 0.00 0.00 58.31 59.03 3kw3 n LYS 100 Cb 0.21 -5.09 0.09 0.00 -0.51 0.00 0.00 35.03 29.74 3kw3 n LYS 100 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kw3 n ALA 101 N 0.74 2.44 -0.30 7.82 0.00 -0.62 -4.60 120.51 125.99 3kw3 n ALA 101 Ca -0.15 -0.72 -0.03 0.00 0.00 0.00 0.00 53.44 52.54 3kw3 n ALA 101 Cb 0.50 -0.57 0.08 0.00 0.00 0.00 0.00 19.45 19.46 3kw3 n ALA 101 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kw3 h GLU 102 N 3.19 1.05 -0.01 0.00 9.09 -1.89 -2.25 114.58 123.76 3kw3 h GLU 102 Ca 0.00 -0.06 0.03 0.00 0.05 0.00 0.00 59.36 59.38 3kw3 h GLU 102 Cb 0.71 -0.24 -0.05 0.00 -1.65 0.00 0.00 28.75 27.52 3kw3 h GLU 102 CO 0.00 0.69 -0.28 1.49 0.05 0.00 0.00 179.01 180.97 3kw3 h GLU 103 N 1.08 -0.40 -0.90 1.06 4.81 -1.98 -0.16 114.58 118.10 3kw3 h GLU 103 Ca 0.31 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.61 3kw3 h GLU 103 Cb -0.09 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3kw3 h GLU 103 CO -0.08 -0.26 0.59 0.35 -0.73 0.00 0.00 179.01 178.88 3kw3 h PHE 104 N -0.41 1.08 -0.48 0.92 3.57 -1.81 0.68 116.94 120.48 3kw3 h PHE 104 Ca 0.07 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3kw3 h PHE 104 Cb 0.50 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3kw3 h PHE 104 CO -0.31 0.61 0.15 0.28 -2.23 0.00 0.00 178.31 176.81 3kw3 h VAL 105 N 1.10 1.23 -0.26 1.41 2.07 -0.83 -1.68 116.25 119.28 3kw3 h VAL 105 Ca 0.37 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3kw3 h VAL 105 Cb 0.07 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3kw3 h VAL 105 CO -0.12 0.27 0.03 0.00 0.02 0.00 0.00 177.57 177.78 3kw3 h ALA 106 N 1.01 0.35 0.00 1.67 0.00 0.01 -2.90 119.26 119.41 3kw3 h ALA 106 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kw3 h ALA 106 Cb 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kw3 h ALA 106 CO -0.01 0.05 -0.00 -0.56 0.00 0.00 0.00 179.25 178.74 3kw3 h GLN 107 N 0.25 0.00 0.00 0.00 3.07 -0.81 -2.39 115.11 115.23 3kw3 h GLN 107 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 3kw3 h GLN 107 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 3kw3 h GLN 107 CO 0.01 0.00 -0.22 0.43 0.09 0.00 0.00 178.83 179.14 3kw3 n SER 108 N -3.09 0.22 -2.64 0.06 7.64 -0.64 -4.94 113.62 110.23 3kw3 n SER 108 Ca -0.00 0.17 -0.20 0.00 1.01 0.00 0.00 58.87 59.84 3kw3 n SER 108 Cb 0.25 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3kw3 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kw3 n GLY 109 N 1.50 -0.51 3.83 0.23 0.00 -0.90 -5.01 105.19 104.32 3kw3 n GLY 109 Ca 0.06 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3kw3 n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kw3 s ILE 110 N -3.02 4.83 -0.40 -0.61 1.01 -1.11 -4.79 121.20 117.11 3kw3 s ILE 110 Ca 0.11 1.02 -0.16 0.00 0.00 0.00 0.00 60.65 61.63 3kw3 s ILE 110 Cb -0.05 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.62 3kw3 s ILE 110 CO 0.14 0.47 0.35 -0.63 0.00 0.00 0.00 174.94 175.27 3kw3 s ILE 111 N -1.21 5.19 0.36 2.92 1.09 -0.10 -4.59 121.20 124.86 3kw3 s ILE 111 Ca 0.30 -0.46 -0.19 0.00 -1.10 0.00 0.00 60.65 59.20 3kw3 s ILE 111 Cb -0.18 -3.95 -0.10 0.00 -1.06 0.00 0.00 42.46 37.18 3kw3 s ILE 111 CO 0.18 -0.32 0.84 -2.16 -0.10 0.00 0.00 174.94 173.38 3kw3 s PRO 112 N 1.88 4.17 -0.05 2.79 0.04 -1.26 -0.23 135.00 142.33 3kw3 s PRO 112 Ca 0.08 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 3kw3 s PRO 112 Cb -0.18 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 3kw3 s PRO 112 CO 0.11 0.11 1.15 -0.51 0.04 0.00 0.00 177.00 177.91 3kw3 s LEU 113 N -2.90 4.29 -0.55 -3.56 1.02 -0.58 -1.26 118.68 115.14 3kw3 s LEU 113 Ca 0.56 1.77 -0.20 0.00 0.02 0.00 0.00 54.13 56.28 3kw3 s LEU 113 Cb -0.11 -3.56 0.07 0.00 0.02 0.00 0.00 46.19 42.61 3kw3 s LEU 113 CO 0.16 -0.53 0.72 -0.76 0.02 0.00 0.00 176.35 175.97 3kw3 s LEU 114 N 1.99 4.88 0.00 1.79 1.43 0.19 -3.58 118.68 125.38 3kw3 s LEU 114 Ca 0.54 -0.96 0.23 0.00 -1.03 0.00 0.00 54.13 52.92 3kw3 s LEU 114 Cb -0.24 -2.46 0.16 0.00 0.03 0.00 0.00 46.19 43.68 3kw3 s LEU 114 CO 0.22 -1.04 1.18 0.59 0.23 0.00 0.00 176.35 177.53 3kw3 n ASN 115 N 6.54 1.15 -3.78 2.29 3.02 -1.26 -1.89 115.26 121.32 3kw3 n ASN 115 Ca -0.06 -0.94 -0.10 0.00 -0.03 0.00 0.00 54.58 53.46 3kw3 n ASN 115 Cb 0.45 0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 40.12 3kw3 n ASN 115 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kw3 s SER 116 N -2.79 -0.10 0.18 6.41 1.04 -1.26 -1.52 113.70 115.66 3kw3 s SER 116 Ca 0.14 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 55.88 3kw3 s SER 116 Cb 0.17 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.85 3kw3 s SER 116 CO 0.70 -0.88 1.83 -0.25 0.98 0.00 0.00 173.24 175.61 3kw3 h TRP 117 N 2.45 0.64 -0.86 5.02 2.91 -1.94 -1.20 115.95 122.98 3kw3 h TRP 117 Ca -0.32 0.02 0.17 0.00 1.13 0.00 0.00 58.89 59.88 3kw3 h TRP 117 Cb 1.24 -0.21 -0.16 0.00 -0.51 0.00 0.00 29.16 29.52 3kw3 h TRP 117 CO 0.37 0.38 -0.23 1.03 -1.03 0.00 0.00 178.44 178.96 3kw3 h SER 118 N 0.68 -0.83 0.14 2.65 0.87 -1.99 0.14 113.55 115.21 3kw3 h SER 118 Ca 0.21 0.26 -0.20 0.00 -1.23 0.00 0.00 61.79 60.83 3kw3 h SER 118 Cb -0.01 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3kw3 h SER 118 CO -0.08 -0.29 -0.78 0.71 -0.53 0.00 0.00 176.83 175.86 3kw3 h THR 119 N -0.01 1.35 -0.15 2.23 1.35 -1.79 -0.91 112.91 114.99 3kw3 h THR 119 Ca 0.41 -2.13 0.03 0.00 -0.55 0.00 0.00 66.41 64.16 3kw3 h THR 119 Cb 0.63 2.12 -0.03 0.00 -1.73 0.00 0.00 68.15 69.14 3kw3 h THR 119 CO -0.89 0.65 -0.04 0.40 -0.25 0.00 0.00 175.52 175.40 3kw3 h ILE 120 N 0.35 0.85 -0.47 6.82 2.04 -0.77 0.17 117.51 126.50 3kw3 h ILE 120 Ca -0.05 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3kw3 h ILE 120 Cb 1.38 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 3kw3 h ILE 120 CO 0.14 0.00 0.11 -0.33 0.00 0.00 0.00 178.15 178.07 3kw3 h GLU 121 N 0.00 0.76 -0.76 2.37 5.08 -0.56 -0.39 114.58 121.08 3kw3 h GLU 121 Ca 0.07 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3kw3 h GLU 121 Cb 0.11 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3kw3 h GLU 121 CO -0.15 0.75 0.35 -0.44 -1.00 0.00 0.00 179.01 178.52 3kw3 h ASP 122 N 0.64 1.00 -0.37 1.42 3.32 -1.02 -1.10 116.42 120.31 3kw3 h ASP 122 Ca 0.15 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3kw3 h ASP 122 Cb 0.33 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3kw3 h ASP 122 CO 0.00 0.86 -0.12 -0.25 -1.72 0.00 0.00 179.24 178.01 3kw3 h TRP 123 N 1.09 0.90 -0.55 4.55 2.91 -0.07 -2.57 115.95 122.21 3kw3 h TRP 123 Ca 0.26 -0.17 -0.07 0.00 1.13 0.00 0.00 58.89 60.05 3kw3 h TRP 123 Cb 0.13 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.53 3kw3 h TRP 123 CO 0.01 0.88 0.08 0.37 -1.03 0.00 0.00 178.44 178.76 3kw3 h GLN 124 N 0.73 0.91 -0.31 2.65 4.15 -0.53 -1.92 115.11 120.79 3kw3 h GLN 124 Ca 0.12 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 3kw3 h GLN 124 Cb 0.61 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3kw3 h GLN 124 CO 0.04 0.88 0.13 1.15 -1.93 0.00 0.00 178.83 179.11 3kw3 h THR 125 N 0.80 1.17 0.10 2.39 2.02 -1.14 -1.12 112.91 117.13 3kw3 h THR 125 Ca 0.17 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.84 3kw3 h THR 125 Cb 0.42 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3kw3 h THR 125 CO 0.01 0.18 -0.24 0.25 0.37 0.00 0.00 175.52 176.10 3kw3 h LEU 126 N 0.36 -0.68 -1.09 2.58 5.85 -1.35 0.36 115.31 121.34 3kw3 h LEU 126 Ca 0.10 0.08 0.18 0.00 0.84 0.00 0.00 57.88 59.09 3kw3 h LEU 126 Cb 0.16 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 3kw3 h LEU 126 CO -0.01 -0.32 0.61 0.00 -0.34 0.00 0.00 178.44 178.38 3kw3 h GLN 128 N 0.75 0.39 -0.78 0.00 4.20 -0.34 -0.22 115.11 119.10 3kw3 h GLN 128 Ca 0.55 -0.25 0.09 0.00 0.06 0.00 0.00 58.65 59.10 3kw3 h GLN 128 Cb 0.87 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.63 3kw3 h GLN 128 CO -0.33 0.84 0.51 0.87 -0.67 0.00 0.00 178.83 180.06 3kw3 h LYS 129 N -0.02 0.70 -0.01 1.46 1.57 0.38 -3.11 116.57 117.53 3kw3 h LYS 129 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kw3 h LYS 129 Cb 0.83 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3kw3 h LYS 129 CO 0.05 0.46 -0.61 1.63 -0.57 0.00 0.00 179.45 180.41 3kw3 n LYS 130 N -4.50 1.10 -3.89 3.15 4.76 -0.78 -5.00 118.16 112.99 3kw3 n LYS 130 Ca 0.13 -0.58 -0.25 0.00 -2.87 0.00 0.00 58.31 54.75 3kw3 n LYS 130 Cb 0.32 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.09 3kw3 n LYS 130 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kw3 n ASN 131 N -0.59 -0.68 -3.95 4.39 5.15 -0.18 -5.02 115.26 114.38 3kw3 n ASN 131 Ca 0.07 -0.95 -0.18 0.00 -0.60 0.00 0.00 54.58 52.91 3kw3 n ASN 131 Cb 0.38 -3.33 -0.15 0.00 -0.53 0.00 0.00 39.78 36.15 3kw3 n ASN 131 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kw3 s LYS 132 N -6.41 0.64 -1.32 1.20 -0.14 -0.71 -5.05 119.74 107.96 3kw3 s LYS 132 Ca 0.03 -0.19 -0.17 0.00 -1.36 0.00 0.00 55.97 54.28 3kw3 s LYS 132 Cb -0.02 -0.64 0.03 0.00 -1.68 0.00 0.00 37.83 35.53 3kw3 s LYS 132 CO 0.87 0.06 1.95 1.63 -0.76 0.00 0.00 175.35 179.10 3kw3 n LYS 133 N 3.32 2.84 -2.01 1.68 5.02 -1.26 -4.51 118.16 123.25 3kw3 n LYS 133 Ca -0.18 -2.88 -0.42 0.00 -2.02 0.00 0.00 58.31 52.82 3kw3 n LYS 133 Cb 0.55 -3.40 -0.03 0.00 -0.02 0.00 0.00 35.03 32.13 3kw3 n LYS 133 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3kw3 s PHE 134 N 4.43 3.10 0.23 2.13 0.08 -1.26 -3.75 117.98 122.95 3kw3 s PHE 134 Ca 0.53 0.78 -0.30 0.00 0.12 0.00 0.00 56.93 58.06 3kw3 s PHE 134 Cb 0.08 -3.85 -0.09 0.00 -0.57 0.00 0.00 43.02 38.60 3kw3 s PHE 134 CO 0.02 -3.02 1.22 -1.25 -0.10 0.00 0.00 175.22 172.09 3kw3 s PRO 135 N 0.88 4.48 0.28 0.24 0.04 -1.25 -2.12 135.00 137.54 3kw3 s PRO 135 Ca 0.67 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 63.56 3kw3 s PRO 135 Cb -0.42 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.94 3kw3 s PRO 135 CO 0.33 -0.07 0.50 0.00 0.04 0.00 0.00 177.00 177.80 3kw3 s ALA 136 N -0.46 -0.01 -0.03 8.56 0.00 -0.04 -4.23 121.76 125.55 3kw3 s ALA 136 Ca 0.51 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 51.49 3kw3 s ALA 136 Cb -0.35 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 3kw3 s ALA 136 CO 0.41 -0.85 -0.20 0.42 0.00 0.00 0.00 175.76 175.54 3kw3 s ILE 137 N -3.61 1.61 -0.25 0.00 1.01 -0.39 -0.69 121.20 118.86 3kw3 s ILE 137 Ca 0.24 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 3kw3 s ILE 137 Cb -0.01 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 3kw3 s ILE 137 CO 0.12 0.46 0.16 -0.63 0.00 0.00 0.00 174.94 175.05 3kw3 s ILE 138 N -0.26 5.21 -0.09 2.92 1.01 -0.93 0.57 121.20 129.62 3kw3 s ILE 138 Ca 0.02 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 3kw3 s ILE 138 Cb -0.10 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 3kw3 s ILE 138 CO 0.01 0.31 0.26 -1.58 0.00 0.00 0.00 174.94 173.93 3kw3 s GLN 139 N 1.37 3.75 -0.10 2.79 0.74 -0.79 -0.60 119.66 126.82 3kw3 s GLN 139 Ca 0.07 0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.61 3kw3 s GLN 139 Cb -0.15 -3.24 -0.00 0.00 1.10 0.00 0.00 33.01 30.72 3kw3 s GLN 139 CO 0.07 0.66 -0.24 0.08 -0.55 0.00 0.00 175.29 175.31 3kw3 s VAL 140 N -0.79 2.07 0.20 1.34 1.01 0.08 -1.36 120.40 122.96 3kw3 s VAL 140 Ca 0.18 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 3kw3 s VAL 140 Cb -0.14 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.38 3kw3 s VAL 140 CO 0.07 0.56 1.14 -0.62 0.00 0.00 0.00 175.10 176.25 3kw3 s ASP 141 N 0.32 7.19 -0.05 3.32 2.15 -0.56 -4.37 116.67 124.68 3kw3 s ASP 141 Ca -0.18 2.19 0.07 0.00 0.43 0.00 0.00 52.55 55.06 3kw3 s ASP 141 Cb -0.18 -2.61 0.10 0.00 -0.30 0.00 0.00 42.92 39.93 3kw3 s ASP 141 CO 0.09 -0.26 0.98 0.35 -0.17 0.00 0.00 175.17 176.15 3kw3 n THR 142 N 2.13 0.83 0.00 1.71 -2.24 -1.26 -4.89 114.28 110.57 3kw3 n THR 142 Ca 0.02 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 3kw3 n THR 142 Cb 0.45 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 3kw3 n THR 142 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kw3 n ASN 143 N -0.59 0.00 0.19 3.42 4.13 -1.26 -4.83 115.26 116.32 3kw3 n ASN 143 Ca 0.06 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.38 3kw3 n ASN 143 Cb 0.58 0.00 0.53 0.00 -1.54 0.00 0.00 39.78 39.35 3kw3 n ASN 143 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 3kw3 h MET 144 N 0.00 0.12 -6.48 3.52 2.86 -1.94 -3.47 114.93 109.54 3kw3 h MET 144 Ca 0.00 -0.01 -0.50 0.00 -2.06 0.00 0.00 59.70 57.13 3kw3 h MET 144 Cb 0.00 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.56 3kw3 h MET 144 CO 0.00 0.16 -0.84 0.43 1.06 0.00 0.00 176.91 177.71 3kw3 n SER 145 N -4.44 -1.95 0.00 1.22 7.64 -1.26 -4.90 113.62 109.94 3kw3 n SER 145 Ca -0.02 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.92 3kw3 n SER 145 Cb 0.15 -3.24 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 3kw3 n SER 145 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3kw3 n ARG 146 N -4.43 0.00 -4.61 1.43 0.63 -1.26 -5.09 116.66 103.33 3kw3 n ARG 146 Ca -0.15 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.56 3kw3 n ARG 146 Cb 0.61 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.37 3kw3 n ARG 146 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3kw3 s LEU 147 N -3.53 2.00 0.00 6.15 1.43 -1.26 -5.10 118.68 118.37 3kw3 s LEU 147 Ca 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3kw3 s LEU 147 Cb 0.00 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.53 3kw3 s LEU 147 CO 0.00 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.35 3kw3 n GLY 148 N 2.82 3.57 3.62 -3.19 0.00 -1.01 -4.39 105.19 106.61 3kw3 n GLY 148 Ca -0.15 -1.74 -0.55 0.00 0.00 0.00 0.00 46.02 43.58 3kw3 n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kw3 n LEU 149 N 0.00 1.59 -4.84 0.99 4.32 -0.46 -4.21 117.00 114.39 3kw3 n LEU 149 Ca 0.00 1.12 -0.30 0.00 -0.02 0.00 0.00 56.01 56.81 3kw3 n LEU 149 Cb 0.00 -1.12 0.22 0.00 -1.62 0.00 0.00 43.42 40.89 3kw3 n LEU 149 CO 0.00 -0.99 0.82 1.51 -1.22 0.00 0.00 177.39 177.51 3kw3 s ASP 150 N 1.33 2.26 0.10 -1.43 1.47 -1.26 -1.50 116.67 117.65 3kw3 s ASP 150 Ca 0.90 0.27 -0.22 0.00 1.18 0.00 0.00 52.55 54.68 3kw3 s ASP 150 Cb -1.06 -0.28 -0.11 0.00 -0.34 0.00 0.00 42.92 41.13 3kw3 s ASP 150 CO 0.55 -3.27 1.74 0.50 0.68 0.00 0.00 175.17 175.38 3kw3 h LYS 151 N -2.01 0.06 -0.64 2.11 3.64 -1.94 -0.05 116.57 117.75 3kw3 h LYS 151 Ca -0.44 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3kw3 h LYS 151 Cb 1.23 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3kw3 h LYS 151 CO 0.32 0.04 0.38 0.87 -2.27 0.00 0.00 179.45 178.79 3kw3 h LYS 152 N 0.06 0.86 -0.20 1.90 1.57 -2.00 -2.04 116.57 116.73 3kw3 h LYS 152 Ca 0.03 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3kw3 h LYS 152 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3kw3 h LYS 152 CO -0.03 0.62 -0.30 0.93 -0.57 0.00 0.00 179.45 180.09 3kw3 h GLU 153 N 0.86 0.40 -0.81 3.15 5.08 -1.85 -1.24 114.58 120.17 3kw3 h GLU 153 Ca 0.23 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3kw3 h GLU 153 Cb -0.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3kw3 h GLU 153 CO -0.04 0.66 0.37 1.25 -1.00 0.00 0.00 179.01 180.25 3kw3 h LEU 154 N 0.35 1.07 -0.55 1.33 5.85 -0.71 -0.96 115.31 121.69 3kw3 h LEU 154 Ca 0.05 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3kw3 h LEU 154 Cb 0.71 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3kw3 h LEU 154 CO 0.05 0.92 0.20 1.56 -0.34 0.00 0.00 178.44 180.84 3kw3 h GLN 155 N 1.16 0.84 -0.87 1.25 1.08 -0.61 -1.61 115.11 116.35 3kw3 h GLN 155 Ca 0.28 -0.16 0.05 0.00 -1.45 0.00 0.00 58.65 57.37 3kw3 h GLN 155 Cb 0.15 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 3kw3 h GLN 155 CO -0.03 0.74 0.57 0.87 -0.95 0.00 0.00 178.83 180.02 3kw3 h LYS 156 N 0.76 0.99 0.05 1.46 1.57 -0.86 -0.57 116.57 119.97 3kw3 h LYS 156 Ca 0.18 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3kw3 h LYS 156 Cb 0.23 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3kw3 h LYS 156 CO -0.01 0.65 -0.02 1.25 -0.57 0.00 0.00 179.45 180.75 3kw3 h LEU 157 N 1.02 -0.06 -0.83 2.94 5.85 -0.57 -2.03 115.31 121.63 3kw3 h LEU 157 Ca 0.36 -0.20 0.15 0.00 0.84 0.00 0.00 57.88 59.02 3kw3 h LEU 157 Cb 0.13 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.08 3kw3 h LEU 157 CO -0.12 0.17 0.40 0.40 -0.34 0.00 0.00 178.44 178.95 3kw3 h ILE 158 N -0.29 0.70 0.00 4.05 2.04 -1.03 -1.50 117.51 121.49 3kw3 h ILE 158 Ca -0.01 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3kw3 h ILE 158 Cb 0.26 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3kw3 h ILE 158 CO 0.01 0.10 -0.27 0.11 0.00 0.00 0.00 178.15 178.10 3kw3 h LYS 159 N 0.56 0.00 -1.80 2.37 1.57 -0.89 -3.38 116.57 115.01 3kw3 h LYS 159 Ca 0.46 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.83 3kw3 h LYS 159 Cb 0.67 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.69 3kw3 h LYS 159 CO -0.38 0.27 -0.77 1.21 -0.57 0.00 0.00 179.45 179.21 3kw3 s ASN 160 N -6.27 0.27 -0.15 0.86 2.47 -0.78 -4.99 114.94 106.35 3kw3 s ASN 160 Ca 0.01 -2.46 0.03 0.00 0.42 0.00 0.00 52.86 50.86 3kw3 s ASN 160 Cb 0.10 0.54 0.29 0.00 -1.45 0.00 0.00 41.25 40.73 3kw3 s ASN 160 CO 0.66 -0.13 1.24 -0.81 -3.72 0.00 0.00 177.10 174.33 3kw3 n PRO 161 N 2.97 1.86 0.23 0.43 -0.05 -0.63 -4.45 135.00 135.35 3kw3 n PRO 161 Ca 0.24 -1.21 0.17 0.00 -0.05 0.00 0.00 63.50 62.65 3kw3 n PRO 161 Cb 0.51 -1.58 0.76 0.00 -0.05 0.00 0.00 33.50 33.14 3kw3 n PRO 161 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 3kw3 h THR 162 N 0.81 0.16 -0.66 0.52 2.02 -1.94 -1.36 112.91 112.45 3kw3 h THR 162 Ca 0.17 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.35 3kw3 h THR 162 Cb 1.52 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 3kw3 h THR 162 CO 0.35 0.00 0.44 -0.29 0.37 0.00 0.00 175.52 176.39 3kw3 h ILE 163 N 0.00 1.17 0.00 3.11 6.09 -1.96 -0.77 117.51 125.15 3kw3 h ILE 163 Ca 0.09 -0.31 -0.00 0.00 -1.37 0.00 0.00 64.86 63.27 3kw3 h ILE 163 Cb 0.90 0.20 -0.00 0.00 0.47 0.00 0.00 36.82 38.38 3kw3 h ILE 163 CO -0.00 0.16 -0.01 -0.26 -3.07 0.00 0.00 178.15 174.97 3kw3 h PHE 164 N 0.89 0.00 0.09 2.19 0.04 -1.52 -1.73 116.94 116.90 3kw3 h PHE 164 Ca 0.24 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.65 3kw3 h PHE 164 Cb -0.10 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 3kw3 h PHE 164 CO -0.00 0.01 -2.07 0.39 -0.60 0.00 0.00 178.31 176.04 3kw3 n GLU 165 N -3.12 0.72 0.09 1.51 1.02 -0.74 -4.43 120.64 115.69 3kw3 n GLU 165 Ca -0.00 0.26 0.12 0.00 -0.02 0.00 0.00 57.16 57.52 3kw3 n GLU 165 Cb 0.26 -1.66 0.22 0.00 -0.02 0.00 0.00 31.44 30.24 3kw3 n GLU 165 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3kw3 h LYS 166 N -0.04 0.00 -5.25 3.49 1.79 -1.09 -3.47 116.57 112.00 3kw3 h LYS 166 Ca -0.46 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.51 3kw3 h LYS 166 Cb 1.95 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 32.46 3kw3 h LYS 166 CO 0.02 0.00 -0.60 0.00 -1.08 0.00 0.00 179.45 177.79 3kw3 s ALA 167 N -3.17 2.53 -0.41 3.86 0.00 -0.66 -4.02 121.76 119.89 3kw3 s ALA 167 Ca 0.07 -1.97 -0.08 0.00 0.00 0.00 0.00 51.96 49.98 3kw3 s ALA 167 Cb 0.12 0.61 0.08 0.00 0.00 0.00 0.00 23.12 23.93 3kw3 s ALA 167 CO 0.69 -0.29 0.24 -2.00 0.00 0.00 0.00 175.76 174.40 3kw3 s GLU 168 N -3.86 2.51 -0.53 0.00 2.12 -0.90 -4.69 118.70 113.34 3kw3 s GLU 168 Ca 0.35 -1.51 -0.23 0.00 0.36 0.00 0.00 54.97 53.94 3kw3 s GLU 168 Cb 0.08 -3.72 0.05 0.00 0.26 0.00 0.00 34.13 30.80 3kw3 s GLU 168 CO 0.15 -0.96 0.84 0.42 -0.54 0.00 0.00 175.26 175.18 3kw3 s ILE 169 N 1.37 4.54 0.27 -3.70 -1.09 -1.26 -0.86 121.20 120.48 3kw3 s ILE 169 Ca 0.03 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.51 3kw3 s ILE 169 Cb -0.23 -4.46 0.14 0.00 -1.58 0.00 0.00 42.46 36.33 3kw3 s ILE 169 CO 0.01 -1.00 1.80 0.11 -1.23 0.00 0.00 174.94 174.63 3kw3 h LYS 170 N 9.20 0.81 -2.93 2.79 1.79 -1.30 -3.44 116.57 123.49 3kw3 h LYS 170 Ca -0.26 -0.19 -0.08 0.00 -2.18 0.00 0.00 60.65 57.94 3kw3 h LYS 170 Cb 1.08 -0.11 -0.17 0.00 -1.58 0.00 0.00 32.23 31.45 3kw3 h LYS 170 CO 1.05 0.76 -0.08 0.71 -1.08 0.00 0.00 179.45 180.81 3kw3 s TYR 171 N -5.11 -0.31 -0.20 -1.35 2.02 -1.26 -4.14 117.35 107.00 3kw3 s TYR 171 Ca -0.10 0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 56.86 3kw3 s TYR 171 Cb 0.15 0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.91 3kw3 s TYR 171 CO 0.80 -0.57 0.05 0.42 -1.57 0.00 0.00 175.55 174.69 3kw3 s ILE 172 N -2.29 4.51 0.05 2.71 1.01 -0.31 -2.20 121.20 124.68 3kw3 s ILE 172 Ca -0.06 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.54 3kw3 s ILE 172 Cb -0.01 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 3kw3 s ILE 172 CO -0.01 0.42 -0.22 -0.22 0.00 0.00 0.00 174.94 174.92 3kw3 s LEU 173 N 0.77 2.19 0.34 2.97 0.20 0.23 -2.35 118.68 123.03 3kw3 s LEU 173 Ca 0.03 -0.56 0.08 0.00 0.69 0.00 0.00 54.13 54.36 3kw3 s LEU 173 Cb -0.14 -1.03 -0.03 0.00 -0.43 0.00 0.00 46.19 44.57 3kw3 s LEU 173 CO 0.02 0.17 0.28 -0.55 -0.29 0.00 0.00 176.35 175.98 3kw3 s SER 174 N -1.31 1.86 -0.07 3.68 0.15 -0.94 -0.74 113.70 116.33 3kw3 s SER 174 Ca 0.08 -1.78 -0.04 0.00 0.70 0.00 0.00 55.95 54.91 3kw3 s SER 174 Cb -0.09 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 3kw3 s SER 174 CO 0.02 -1.07 0.17 -2.28 1.20 0.00 0.00 173.24 171.28 3kw3 s HIS 175 N -3.38 -0.20 0.27 3.44 2.46 -1.26 -4.23 115.29 112.39 3kw3 s HIS 175 Ca 0.40 0.52 -0.29 0.00 0.47 0.00 0.00 55.06 56.16 3kw3 s HIS 175 Cb 0.02 -0.01 -0.09 0.00 -0.13 0.00 0.00 32.58 32.37 3kw3 s HIS 175 CO 0.28 -0.15 1.03 -0.51 -2.47 0.00 0.00 174.74 172.92 3kw3 s LEU 176 N 0.82 4.56 0.11 8.88 1.43 -1.26 -4.60 118.68 128.62 3kw3 s LEU 176 Ca -0.06 2.13 0.12 0.00 -1.03 0.00 0.00 54.13 55.28 3kw3 s LEU 176 Cb -0.08 -3.67 -0.14 0.00 0.03 0.00 0.00 46.19 42.34 3kw3 s LEU 176 CO -0.04 -0.05 1.10 0.00 0.23 0.00 0.00 176.35 177.59 3kw3 h ALA 177 N 3.84 0.57 -0.02 4.21 0.00 -1.94 -3.41 119.26 122.50 3kw3 h ALA 177 Ca -0.46 -0.93 -0.06 0.00 0.00 0.00 0.00 54.91 53.46 3kw3 h ALA 177 Cb 1.21 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 3kw3 h ALA 177 CO 0.67 1.13 -0.63 0.09 0.00 0.00 0.00 179.25 180.51 3kw3 n ASN 178 N -3.17 1.64 0.15 0.00 3.02 -1.26 -4.86 115.26 110.78 3kw3 n ASN 178 Ca -0.05 -3.47 0.18 0.00 -0.03 0.00 0.00 54.58 51.20 3kw3 n ASN 178 Cb 0.90 -0.47 0.78 0.00 -0.61 0.00 0.00 39.78 40.38 3kw3 n ASN 178 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kw3 h GLY 179 N 1.05 0.00 0.69 7.41 0.00 -1.94 -0.42 103.07 109.86 3kw3 h GLY 179 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3kw3 h GLY 179 CO 0.04 0.00 -0.05 -1.84 0.00 0.00 0.00 176.54 174.69 3kw3 n GLU 180 N -3.94 0.95 -3.95 4.80 0.00 -1.26 -3.70 120.64 113.54 3kw3 n GLU 180 Ca 0.04 -0.30 -0.31 0.00 0.00 0.00 0.00 57.16 56.58 3kw3 n GLU 180 Cb 0.41 -1.49 -0.14 0.00 0.00 0.00 0.00 31.44 30.22 3kw3 n GLU 180 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3kw3 s ASP 181 N -2.26 4.56 0.53 -1.84 -1.08 -0.17 -4.52 116.67 111.88 3kw3 s ASP 181 Ca 0.36 -2.70 0.27 0.00 -0.52 0.00 0.00 52.55 49.95 3kw3 s ASP 181 Cb 0.21 -1.66 1.41 0.00 -1.46 0.00 0.00 42.92 41.41 3kw3 s ASP 181 CO 0.42 -0.30 1.95 0.00 0.52 0.00 0.00 175.17 177.76 3kw3 h ALA 182 N 6.94 2.61 0.00 3.66 0.00 -1.82 -0.36 119.26 130.29 3kw3 h ALA 182 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kw3 h ALA 182 Cb 0.94 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3kw3 h ALA 182 CO 0.64 -0.81 0.00 -1.13 0.00 0.00 0.00 179.25 177.95 3kw3 n SER 183 N -4.34 0.00 -4.70 0.00 3.41 -1.26 -4.94 113.62 101.79 3kw3 n SER 183 Ca 0.14 0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 58.80 3kw3 n SER 183 Cb 0.74 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 3kw3 n SER 183 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kw3 s HIS 184 N -2.99 3.15 0.50 7.33 2.46 -0.15 -4.92 115.29 120.68 3kw3 s HIS 184 Ca 0.14 1.02 0.28 0.00 0.47 0.00 0.00 55.06 56.97 3kw3 s HIS 184 Cb 0.19 -3.58 1.61 0.00 -0.13 0.00 0.00 32.58 30.67 3kw3 s HIS 184 CO 0.52 -2.03 2.16 0.77 -2.47 0.00 0.00 174.74 173.69 3kw3 h SER 185 N 7.24 0.00 1.46 9.88 0.02 -1.92 -2.79 113.55 127.44 3kw3 h SER 185 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3kw3 h SER 185 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3kw3 h SER 185 CO 0.87 0.06 0.00 0.28 -1.14 0.00 0.00 176.83 176.90 3kw3 h SER 186 N 0.00 0.00 0.28 3.07 0.02 -1.96 -3.15 113.55 111.80 3kw3 h SER 186 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3kw3 h SER 186 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3kw3 h SER 186 CO 0.01 0.00 -0.13 0.78 -1.14 0.00 0.00 176.83 176.35 3kw3 h ASN 187 N 0.00 -0.31 -0.56 3.07 2.35 -1.85 0.15 115.58 118.43 3kw3 h ASN 187 Ca 0.00 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 3kw3 h ASN 187 Cb 0.73 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 3kw3 h ASN 187 CO 0.00 -0.13 0.00 0.78 -1.65 0.00 0.00 177.43 176.43 3kw3 h ASN 188 N -0.48 0.98 -0.63 5.81 4.21 -1.77 -1.00 115.58 122.71 3kw3 h ASN 188 Ca -0.04 -0.27 -0.02 0.00 1.21 0.00 0.00 56.30 57.18 3kw3 h ASN 188 Cb 0.36 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 3kw3 h ASN 188 CO 0.06 1.03 0.30 0.11 -1.29 0.00 0.00 177.43 177.64 3kw3 h LYS 189 N 0.93 0.90 -0.46 0.81 1.57 -1.50 0.15 116.57 118.97 3kw3 h LYS 189 Ca 0.17 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3kw3 h LYS 189 Cb 0.53 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3kw3 h LYS 189 CO 0.03 0.73 0.15 1.96 -0.57 0.00 0.00 179.45 181.75 3kw3 h GLN 190 N 0.86 0.71 -0.13 3.15 4.20 -0.55 -0.70 115.11 122.65 3kw3 h GLN 190 Ca 0.21 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3kw3 h GLN 190 Cb 0.13 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3kw3 h GLN 190 CO -0.03 0.67 0.08 1.25 -0.67 0.00 0.00 178.83 180.13 3kw3 h LEU 191 N 0.60 0.15 -0.22 1.46 5.85 -0.71 -0.59 115.31 121.85 3kw3 h LEU 191 Ca 0.15 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3kw3 h LEU 191 Cb 0.25 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3kw3 h LEU 191 CO -0.01 0.15 -0.01 0.00 -0.34 0.00 0.00 178.44 178.23 3kw3 h ALA 192 N 1.00 0.18 -0.57 1.25 0.00 -0.62 -0.94 119.26 119.57 3kw3 h ALA 192 Ca 0.05 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3kw3 h ALA 192 Cb 0.03 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3kw3 h ALA 192 CO -0.01 -0.44 0.31 0.00 0.00 0.00 0.00 179.25 179.11 3kw3 h ALA 193 N 1.20 0.75 -0.44 0.00 0.00 -0.97 -0.32 119.26 119.48 3kw3 h ALA 193 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kw3 h ALA 193 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kw3 h ALA 193 CO -0.19 -0.02 0.19 0.35 0.00 0.00 0.00 179.25 179.58 3kw3 h PHE 194 N 0.59 0.66 -0.67 0.00 3.57 -0.83 -1.78 116.94 118.48 3kw3 h PHE 194 Ca 0.25 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.74 3kw3 h PHE 194 Cb 0.14 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 3kw3 h PHE 194 CO -0.09 0.56 0.44 0.87 -2.23 0.00 0.00 178.31 177.86 3kw3 h LYS 195 N 0.57 0.77 -0.43 1.11 1.57 -0.63 -0.62 116.57 118.91 3kw3 h LYS 195 Ca 0.15 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3kw3 h LYS 195 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3kw3 h LYS 195 CO -0.01 0.51 0.12 0.00 -0.57 0.00 0.00 179.45 179.49 3kw3 h ARG 196 N 0.79 0.63 -0.28 3.15 3.08 -0.35 -2.26 114.38 119.15 3kw3 h ARG 196 Ca 0.27 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 3kw3 h ARG 196 Cb 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3kw3 h ARG 196 CO -0.07 0.57 -0.18 0.28 -1.07 0.00 0.00 179.97 179.49 3kw3 h VAL 197 N 0.62 1.30 -0.95 2.04 2.07 -0.48 -3.30 116.25 117.55 3kw3 h VAL 197 Ca 0.14 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3kw3 h VAL 197 Cb 0.22 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3kw3 h VAL 197 CO -0.01 0.41 0.60 -0.07 0.02 0.00 0.00 177.57 178.52 3kw3 h LEU 198 N 0.36 1.12 -1.60 2.57 3.38 -0.77 -2.14 115.31 118.22 3kw3 h LEU 198 Ca 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kw3 h LEU 198 Cb 0.72 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3kw3 h LEU 198 CO 0.05 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.42 3kw3 h ALA 199 N 1.33 1.00 -0.01 1.53 0.00 -1.49 -2.29 119.26 119.32 3kw3 h ALA 199 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3kw3 h ALA 199 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kw3 h ALA 199 CO -0.07 0.00 -0.32 1.04 0.00 0.00 0.00 179.25 179.90 3kw3 n GLN 200 N -2.69 1.18 -4.35 0.00 6.02 -0.81 -4.94 117.38 111.79 3kw3 n GLN 200 Ca -0.00 -0.87 -0.25 0.00 -0.01 0.00 0.00 57.00 55.86 3kw3 n GLN 200 Cb 0.18 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.86 3kw3 n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kw3 s LEU 201 N -2.42 2.85 0.63 1.08 1.43 -0.86 -4.86 118.68 116.53 3kw3 s LEU 201 Ca 0.23 -0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 52.40 3kw3 s LEU 201 Cb 0.19 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 3kw3 s LEU 201 CO 0.51 0.07 1.08 -2.65 0.23 0.00 0.00 176.35 175.59 3kw3 n PRO 202 N -0.31 0.93 -2.25 1.29 -0.02 -1.26 -4.91 135.00 128.47 3kw3 n PRO 202 Ca -0.09 0.37 -0.39 0.00 -2.02 0.00 0.00 63.50 61.37 3kw3 n PRO 202 Cb 0.57 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 3kw3 n PRO 202 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kw3 s THR 203 N -1.49 3.03 -0.09 3.45 -4.23 -1.26 -4.99 115.64 110.05 3kw3 s THR 203 Ca 0.79 0.95 -0.30 0.00 -1.18 0.00 0.00 61.69 61.95 3kw3 s THR 203 Cb -0.40 -3.57 0.11 0.00 1.34 0.00 0.00 72.50 69.99 3kw3 s THR 203 CO 0.44 0.16 0.94 0.00 -0.54 0.00 0.00 174.62 175.62 3kw3 n LYS 205 N 0.34 0.81 -4.16 0.00 5.02 -1.26 -4.82 118.16 114.10 3kw3 n LYS 205 Ca -0.10 0.34 -0.15 0.00 -2.02 0.00 0.00 58.31 56.38 3kw3 n LYS 205 Cb 0.59 -2.48 -0.13 0.00 -0.02 0.00 0.00 35.03 32.99 3kw3 n LYS 205 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kw3 s VAL 206 N -1.62 0.52 -0.01 -0.18 1.01 -1.26 -1.17 120.40 117.70 3kw3 s VAL 206 Ca 0.80 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3kw3 s VAL 206 Cb -0.35 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.55 3kw3 s VAL 206 CO 0.44 -0.03 0.01 -0.55 0.00 0.00 0.00 175.10 174.96 3kw3 s SER 207 N -0.63 0.10 0.00 3.32 0.15 -0.99 -0.70 113.70 114.94 3kw3 s SER 207 Ca -0.02 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.64 3kw3 s SER 207 Cb -0.05 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 3kw3 s SER 207 CO 0.00 -0.05 0.00 0.33 1.20 0.00 0.00 173.24 174.72 3kw3 n PHE 208 N 3.53 0.00 -3.69 3.44 7.35 -1.25 -2.22 117.46 124.62 3kw3 n PHE 208 Ca -0.19 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.15 3kw3 n PHE 208 Cb 0.56 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.31 3kw3 n PHE 208 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kw3 s ALA 209 N -1.14 3.69 0.45 3.13 0.00 -1.26 -4.07 121.76 122.56 3kw3 s ALA 209 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3kw3 s ALA 209 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.91 3kw3 s ALA 209 CO 0.00 0.22 0.00 0.27 0.00 0.00 0.00 175.76 176.25 3kw3 n ASN 210 N 3.25 0.00 -0.05 0.00 0.23 -1.26 0.94 115.26 118.38 3kw3 n ASN 210 Ca -0.15 -0.68 -0.08 0.00 -0.53 0.00 0.00 54.58 53.14 3kw3 n ASN 210 Cb 0.52 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.21 3kw3 n ASN 210 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3kw3 h SER 211 N 0.00 -0.76 -0.54 0.53 0.02 -1.91 -0.67 113.55 110.22 3kw3 h SER 211 Ca 0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3kw3 h SER 211 Cb 0.00 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3kw3 h SER 211 CO 0.00 -0.27 0.29 1.23 -1.14 0.00 0.00 176.83 176.94 3kw3 h GLY 212 N -0.25 0.82 0.30 -3.77 0.00 -1.88 -2.80 103.07 95.49 3kw3 h GLY 212 Ca 0.13 -0.38 0.13 0.00 0.00 0.00 0.00 47.33 47.22 3kw3 h GLY 212 CO -0.38 0.36 0.42 -1.33 0.00 0.00 0.00 176.54 175.61 3kw3 h GLY 213 N 0.73 1.30 -0.22 4.60 0.00 -1.42 -1.50 103.07 106.57 3kw3 h GLY 213 Ca 0.19 -0.25 0.25 0.00 0.00 0.00 0.00 47.33 47.52 3kw3 h GLY 213 CO -0.03 -0.00 0.53 -2.22 0.00 0.00 0.00 176.54 174.82 3kw3 h ILE 214 N 0.63 0.48 -0.37 2.60 2.04 -0.87 -0.51 117.51 121.52 3kw3 h ILE 214 Ca 0.43 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.13 3kw3 h ILE 214 Cb 0.57 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3kw3 h ILE 214 CO -0.33 0.09 0.00 0.49 0.00 0.00 0.00 178.15 178.39 3kw3 n PHE 215 N -4.96 0.67 1.19 1.37 3.72 -0.57 -3.66 117.46 115.23 3kw3 n PHE 215 Ca 0.26 -0.29 0.13 0.00 -0.05 0.00 0.00 57.45 57.50 3kw3 n PHE 215 Cb 0.76 -0.09 0.25 0.00 -0.94 0.00 0.00 39.48 39.47 3kw3 n PHE 215 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3kw3 n LEU 216 N 0.55 1.82 0.00 4.37 4.77 -0.20 -5.05 117.00 123.26 3kw3 n LEU 216 Ca 0.13 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3kw3 n LEU 216 Cb 0.44 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3kw3 n LEU 216 CO 0.11 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3kw3 n GLY 217 N 1.32 2.33 0.27 -0.72 0.00 -1.24 -4.82 105.19 102.34 3kw3 n GLY 217 Ca 0.13 -1.98 0.18 0.00 0.00 0.00 0.00 46.02 44.36 3kw3 n GLY 217 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kw3 h SER 218 N 0.00 0.00 0.24 1.61 4.64 -1.93 -0.36 113.55 117.74 3kw3 h SER 218 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kw3 h SER 218 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kw3 h SER 218 CO 0.00 0.00 -0.01 0.44 -0.87 0.00 0.00 176.83 176.39 3kw3 h ASP 219 N 0.00 0.00 0.18 4.97 3.32 -1.98 -2.47 116.42 120.44 3kw3 h ASP 219 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kw3 h ASP 219 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3kw3 h ASP 219 CO 0.00 0.01 -0.68 0.49 -1.72 0.00 0.00 179.24 177.34 3kw3 n PHE 220 N -3.18 0.00 -0.03 4.55 3.72 -0.15 -4.61 117.46 117.77 3kw3 n PHE 220 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 3kw3 n PHE 220 Cb 0.13 -0.09 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 3kw3 n PHE 220 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3kw3 h TYR 221 N 0.49 0.88 0.00 1.38 0.05 -1.56 -3.35 116.97 114.87 3kw3 h TYR 221 Ca 0.00 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.40 3kw3 h TYR 221 Cb 0.54 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.14 3kw3 h TYR 221 CO 0.00 1.19 0.00 1.19 -1.05 0.00 0.00 178.16 179.49 3kw3 n PHE 222 N -4.10 0.00 1.01 4.88 3.72 -1.26 -2.86 117.46 118.85 3kw3 n PHE 222 Ca -0.08 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.43 3kw3 n PHE 222 Cb 0.66 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.17 3kw3 n PHE 222 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3kw3 n ASP 223 N 2.41 1.52 -3.49 4.37 8.00 0.12 -4.89 116.55 124.59 3kw3 n ASP 223 Ca 0.00 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3kw3 n ASP 223 Cb 0.00 0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 41.72 3kw3 n ASP 223 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kw3 s LEU 224 N -2.71 -0.45 0.21 0.64 2.96 -1.13 -3.74 118.68 114.46 3kw3 s LEU 224 Ca 0.14 0.66 0.07 0.00 -0.22 0.00 0.00 54.13 54.78 3kw3 s LEU 224 Cb 0.17 1.57 -0.04 0.00 0.50 0.00 0.00 46.19 48.40 3kw3 s LEU 224 CO 0.70 -0.10 0.12 0.68 -1.32 0.00 0.00 176.35 176.43 3kw3 s VAL 225 N 1.87 4.24 -0.53 1.68 -7.23 -0.77 -3.77 120.40 115.88 3kw3 s VAL 225 Ca -0.05 -1.35 0.05 0.00 -1.81 0.00 0.00 61.98 58.81 3kw3 s VAL 225 Cb -0.04 -3.22 0.18 0.00 0.56 0.00 0.00 36.38 33.85 3kw3 s VAL 225 CO -0.16 -0.23 0.43 0.54 -0.31 0.00 0.00 175.10 175.37 3kw3 n ARG 226 N -0.70 0.94 -3.08 4.82 1.74 0.27 -1.78 116.66 118.87 3kw3 n ARG 226 Ca -0.08 -3.73 -0.39 0.00 -0.77 0.00 0.00 57.85 52.88 3kw3 n ARG 226 Cb 0.56 -1.89 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 3kw3 n ARG 226 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kw3 s PRO 227 N -0.72 4.42 0.00 5.56 0.04 -1.26 -3.58 135.00 139.46 3kw3 s PRO 227 Ca 0.31 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.31 3kw3 s PRO 227 Cb 0.03 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3kw3 s PRO 227 CO -0.17 0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.74 3kw3 n GLY 228 N 2.01 0.06 0.33 0.56 0.00 -1.26 -1.22 105.19 105.68 3kw3 n GLY 228 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3kw3 n GLY 228 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kw3 h ILE 229 N 0.00 1.05 -0.14 -0.61 6.09 -1.91 -2.18 117.51 119.82 3kw3 h ILE 229 Ca 0.00 -0.22 -0.05 0.00 -1.37 0.00 0.00 64.86 63.22 3kw3 h ILE 229 Cb 0.00 0.37 -0.01 0.00 0.47 0.00 0.00 36.82 37.65 3kw3 h ILE 229 CO 0.00 0.11 -0.14 0.00 -3.07 0.00 0.00 178.15 175.06 3kw3 h ALA 230 N 1.68 1.52 -0.34 0.18 0.00 -1.90 -1.52 119.26 118.87 3kw3 h ALA 230 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kw3 h ALA 230 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kw3 h ALA 230 CO -0.06 0.35 0.21 -0.07 0.00 0.00 0.00 179.25 179.67 3kw3 h LEU 231 N 0.20 0.39 -3.84 0.00 3.38 -1.70 -2.88 115.31 110.87 3kw3 h LEU 231 Ca 0.04 -0.01 -0.35 0.00 0.09 0.00 0.00 57.88 57.65 3kw3 h LEU 231 Cb 0.38 -0.10 -0.21 0.00 0.09 0.00 0.00 40.66 40.82 3kw3 h LEU 231 CO 0.02 0.30 0.43 -1.22 0.09 0.00 0.00 178.44 178.06 3kw3 n TYR 232 N -4.47 2.68 -0.49 1.13 4.01 -0.58 -4.42 117.16 115.01 3kw3 n TYR 232 Ca 0.02 -1.51 0.00 0.00 -0.16 0.00 0.00 57.90 56.25 3kw3 n TYR 232 Cb 0.08 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 3kw3 n TYR 232 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kw3 n GLY 233 N -0.64 0.74 3.25 2.72 0.00 -1.09 -4.39 105.19 105.78 3kw3 n GLY 233 Ca 0.49 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 3kw3 n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kw3 s VAL 234 N -2.00 3.16 -0.07 1.61 1.01 -1.17 -4.28 120.40 118.65 3kw3 s VAL 234 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 3kw3 s VAL 234 Cb 0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3kw3 s VAL 234 CO 0.00 0.22 1.40 -0.62 0.00 0.00 0.00 175.10 176.10 3kw3 s ASP 235 N 1.38 6.85 0.51 3.32 2.15 -1.26 -3.76 116.67 125.86 3kw3 s ASP 235 Ca 0.02 1.98 0.28 0.00 0.43 0.00 0.00 52.55 55.26 3kw3 s ASP 235 Cb -0.16 -2.55 1.31 0.00 -0.30 0.00 0.00 42.92 41.22 3kw3 s ASP 235 CO -0.03 -0.77 1.99 1.55 -0.17 0.00 0.00 175.17 177.74 3kw3 h PRO 236 N 8.36 0.00 -0.59 4.34 0.13 -1.94 -1.56 132.00 140.74 3kw3 h PRO 236 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3kw3 h PRO 236 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3kw3 h PRO 236 CO 0.94 0.14 0.00 0.72 -0.23 0.00 0.00 178.00 179.56 3kw3 n HIS 237 N -3.44 0.78 -1.96 1.56 8.25 -1.26 -4.60 115.22 114.54 3kw3 n HIS 237 Ca -0.01 -0.46 -0.15 0.00 -0.26 0.00 0.00 57.72 56.85 3kw3 n HIS 237 Cb 0.30 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 3kw3 n HIS 237 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kw3 n GLY 238 N 1.35 0.41 3.70 -1.41 0.00 -0.59 -4.96 105.19 103.69 3kw3 n GLY 238 Ca 0.21 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3kw3 n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kw3 s LYS 239 N -4.18 4.30 -0.08 1.61 -0.14 -1.26 -5.02 119.74 114.98 3kw3 s LYS 239 Ca 0.00 1.96 0.03 0.00 -1.36 0.00 0.00 55.97 56.60 3kw3 s LYS 239 Cb 0.00 -3.49 0.01 0.00 -1.68 0.00 0.00 37.83 32.67 3kw3 s LYS 239 CO 0.00 -0.52 -0.15 -1.58 -0.76 0.00 0.00 175.35 172.34 3kw3 s HIS 240 N 2.03 1.76 0.84 3.18 5.65 -1.26 -3.95 115.29 123.53 3kw3 s HIS 240 Ca 0.63 -0.70 -0.12 0.00 0.25 0.00 0.00 55.06 55.13 3kw3 s HIS 240 Cb -0.32 -1.25 0.09 0.00 -1.18 0.00 0.00 32.58 29.92 3kw3 s HIS 240 CO 0.27 -0.34 1.10 -1.25 -0.65 0.00 0.00 174.74 173.88 3kw3 s PRO 241 N 0.65 1.77 0.03 2.88 0.04 -1.26 -5.20 135.00 133.92 3kw3 s PRO 241 Ca -0.14 0.63 0.01 0.00 0.04 0.00 0.00 61.00 61.54 3kw3 s PRO 241 Cb -0.16 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3kw3 s PRO 241 CO 0.04 -1.84 -0.06 -0.08 0.04 0.00 0.00 177.00 175.10 3kw3 s THR 242 N -3.13 0.39 -0.74 1.26 -1.32 -1.25 -5.03 115.64 105.82 3kw3 s THR 242 Ca 0.62 -1.03 0.24 0.00 -1.21 0.00 0.00 61.69 60.31 3kw3 s THR 242 Cb -0.15 -0.50 0.25 0.00 -1.51 0.00 0.00 72.50 70.58 3kw3 s THR 242 CO 0.55 -0.43 1.75 -0.81 -2.21 0.00 0.00 174.62 173.46 3kw3 n PRO 243 N 1.49 0.16 -2.49 7.08 -0.04 -1.26 -4.83 135.00 135.12 3kw3 n PRO 243 Ca -0.23 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3kw3 n PRO 243 Cb 0.55 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 3kw3 n PRO 243 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kw3 s LEU 244 N -4.03 4.43 -0.10 1.53 1.43 -1.26 -4.93 118.68 115.75 3kw3 s LEU 244 Ca 0.09 2.03 -0.05 0.00 -1.03 0.00 0.00 54.13 55.18 3kw3 s LEU 244 Cb 0.12 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3kw3 s LEU 244 CO 0.48 -0.33 0.07 -0.54 0.23 0.00 0.00 176.35 176.26 3kw3 s LYS 245 N 0.31 3.22 0.35 1.70 1.02 -1.26 -4.91 119.74 120.16 3kw3 s LYS 245 Ca 0.53 -0.26 -0.27 0.00 0.02 0.00 0.00 55.97 55.99 3kw3 s LYS 245 Cb -0.29 -3.00 -0.12 0.00 -0.52 0.00 0.00 37.83 33.90 3kw3 s LYS 245 CO 0.32 0.74 1.19 0.00 -0.92 0.00 0.00 175.35 176.68 3kw3 n ALA 246 N 2.06 0.80 0.01 5.17 0.00 -1.26 -3.78 120.51 123.50 3kw3 n ALA 246 Ca -0.19 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3kw3 n ALA 246 Cb 0.54 -2.18 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 3kw3 n ALA 246 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kw3 n VAL 247 N 0.13 0.00 -3.96 0.00 0.24 -1.26 -4.90 118.33 108.58 3kw3 n VAL 247 Ca 0.07 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.34 61.72 3kw3 n VAL 247 Cb 0.36 1.00 -0.15 0.00 -1.47 0.00 0.00 33.84 33.58 3kw3 n VAL 247 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kw3 s VAL 248 N -0.92 0.15 -0.06 3.34 0.11 -1.26 0.06 120.40 121.83 3kw3 s VAL 248 Ca 0.00 -0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.08 3kw3 s VAL 248 Cb 0.00 -0.18 -0.00 0.00 -1.53 0.00 0.00 36.38 34.67 3kw3 s VAL 248 CO 0.01 0.08 -0.20 -0.75 -3.33 0.00 0.00 175.10 170.90 3kw3 s LYS 249 N 0.34 2.18 -0.09 1.54 2.20 -0.35 -4.40 119.74 121.16 3kw3 s LYS 249 Ca -0.03 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 3kw3 s LYS 249 Cb -0.05 -1.82 0.01 0.00 -1.51 0.00 0.00 37.83 34.45 3kw3 s LYS 249 CO -0.01 0.26 -0.16 0.08 -0.36 0.00 0.00 175.35 175.16 3kw3 s VAL 250 N 0.07 1.49 0.08 4.02 1.01 -0.40 0.34 120.40 127.01 3kw3 s VAL 250 Ca -0.07 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3kw3 s VAL 250 Cb -0.13 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3kw3 s VAL 250 CO 0.04 0.44 -0.08 -1.61 0.00 0.00 0.00 175.10 173.89 3kw3 s GLU 251 N 0.73 0.74 0.00 2.72 2.02 0.07 -0.65 118.70 124.33 3kw3 s GLU 251 Ca -0.12 -1.13 -0.04 0.00 0.02 0.00 0.00 54.97 53.70 3kw3 s GLU 251 Cb -0.16 -0.28 -0.01 0.00 0.10 0.00 0.00 34.13 33.78 3kw3 s GLU 251 CO 0.03 0.02 0.07 0.00 0.02 0.00 0.00 175.26 175.39 3kw3 s ALA 252 N -2.74 -0.15 0.25 5.21 0.00 -0.82 0.64 121.76 124.15 3kw3 s ALA 252 Ca 0.04 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 3kw3 s ALA 252 Cb -0.01 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 3kw3 s ALA 252 CO -0.02 -0.17 0.78 -1.14 0.00 0.00 0.00 175.76 175.21 3kw3 s GLN 253 N -1.20 4.33 -0.02 0.00 0.74 0.93 -0.79 119.66 123.65 3kw3 s GLN 253 Ca -0.13 0.98 -0.30 0.00 0.05 0.00 0.00 55.36 55.96 3kw3 s GLN 253 Cb -0.07 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 3kw3 s GLN 253 CO 0.00 0.36 1.25 0.08 -0.55 0.00 0.00 175.29 176.44 3kw3 s VAL 254 N -1.55 4.08 -0.13 1.34 1.01 0.11 -1.20 120.40 124.05 3kw3 s VAL 254 Ca 0.45 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.90 3kw3 s VAL 254 Cb -0.17 -3.92 -0.24 0.00 0.00 0.00 0.00 36.38 32.05 3kw3 s VAL 254 CO 0.22 0.02 0.31 0.18 0.00 0.00 0.00 175.10 175.82 3kw3 n LEU 255 N 5.02 1.86 -3.78 3.92 4.77 0.79 -0.94 117.00 128.64 3kw3 n LEU 255 Ca 0.11 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.14 3kw3 n LEU 255 Cb 0.46 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.93 3kw3 n LEU 255 CO 0.56 0.69 -0.04 -1.10 -1.33 0.00 0.00 177.39 176.17 3kw3 s GLN 256 N -2.55 0.41 -0.01 3.23 -1.52 -1.16 -4.80 119.66 113.26 3kw3 s GLN 256 Ca -0.18 0.24 0.02 0.00 -1.95 0.00 0.00 55.36 53.49 3kw3 s GLN 256 Cb 0.07 0.19 -0.00 0.00 -0.22 0.00 0.00 33.01 33.05 3kw3 s GLN 256 CO 0.76 -0.07 -0.08 0.45 -0.25 0.00 0.00 175.29 176.10 3kw3 s SER 257 N -0.23 0.99 -0.18 5.90 0.15 -1.26 -0.06 113.70 119.01 3kw3 s SER 257 Ca -0.04 -0.15 -0.11 0.00 0.70 0.00 0.00 55.95 56.35 3kw3 s SER 257 Cb -0.03 -0.15 0.06 0.00 -1.71 0.00 0.00 66.02 64.19 3kw3 s SER 257 CO 0.01 0.09 0.45 -0.60 1.20 0.00 0.00 173.24 174.39 3kw3 s ARG 258 N -0.09 0.45 0.07 5.44 3.52 -0.89 -4.96 118.95 122.50 3kw3 s ARG 258 Ca 0.02 0.79 -0.31 0.00 -0.13 0.00 0.00 55.73 56.10 3kw3 s ARG 258 Cb -0.04 0.06 -0.06 0.00 -1.56 0.00 0.00 34.95 33.34 3kw3 s ARG 258 CO -0.00 -0.14 1.20 -0.59 -0.81 0.00 0.00 175.30 174.97 3kw3 s PHE 259 N 1.15 3.44 -0.11 5.12 -0.12 -1.26 -1.94 117.98 124.26 3kw3 s PHE 259 Ca -0.07 1.30 -0.09 0.00 -0.05 0.00 0.00 56.93 58.02 3kw3 s PHE 259 Cb -0.07 -3.43 -0.03 0.00 -0.63 0.00 0.00 43.02 38.87 3kw3 s PHE 259 CO -0.10 -1.29 -0.17 -0.89 -0.05 0.00 0.00 175.22 172.71 3kw3 n ILE 260 N 3.82 0.99 -1.61 -4.49 5.41 -1.26 -4.99 119.36 117.23 3kw3 n ILE 260 Ca 0.09 0.29 -0.30 0.00 1.00 0.00 0.00 62.75 63.82 3kw3 n ILE 260 Cb 0.46 -2.10 -0.04 0.00 -0.71 0.00 0.00 39.64 37.25 3kw3 n ILE 260 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3kw3 n PRO 277 N -3.86 2.69 -1.41 0.38 -0.04 -1.26 -4.94 135.00 126.57 3kw3 n PRO 277 Ca -0.07 -2.63 -0.30 0.00 -0.04 0.00 0.00 63.50 60.46 3kw3 n PRO 277 Cb 0.25 -2.21 0.11 0.00 -0.04 0.00 0.00 33.50 31.61 3kw3 n PRO 277 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kw3 s SER 278 N 0.15 4.05 -0.14 3.54 1.04 -1.26 -5.04 113.70 116.03 3kw3 s SER 278 Ca 0.57 1.37 0.02 0.00 0.48 0.00 0.00 55.95 58.40 3kw3 s SER 278 Cb 0.37 -2.08 0.01 0.00 0.10 0.00 0.00 66.02 64.42 3kw3 s SER 278 CO -0.24 -2.26 -0.22 -0.89 0.98 0.00 0.00 173.24 170.62 3kw3 s THR 279 N -3.07 2.04 -0.10 2.02 2.01 -1.26 -4.49 115.64 112.80 3kw3 s THR 279 Ca 0.62 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.67 3kw3 s THR 279 Cb -0.16 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 3kw3 s THR 279 CO 0.55 0.55 -0.14 -0.76 -0.69 0.00 0.00 174.62 174.13 3kw3 s LEU 280 N 0.85 2.67 -0.06 4.42 1.43 -0.82 0.20 118.68 127.37 3kw3 s LEU 280 Ca -0.06 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3kw3 s LEU 280 Cb -0.15 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3kw3 s LEU 280 CO -0.03 0.23 -0.18 0.00 0.23 0.00 0.00 176.35 176.60 3kw3 s ALA 281 N -0.06 2.47 -0.24 4.21 0.00 0.12 -2.10 121.76 126.16 3kw3 s ALA 281 Ca -0.03 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.84 3kw3 s ALA 281 Cb -0.14 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 3kw3 s ALA 281 CO 0.04 0.46 0.14 0.99 0.00 0.00 0.00 175.76 177.39 3kw3 s THR 282 N -0.37 5.14 0.04 0.00 2.01 0.92 -0.62 115.64 122.76 3kw3 s THR 282 Ca 0.03 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.17 3kw3 s THR 282 Cb -0.12 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 3kw3 s THR 282 CO 0.02 0.35 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.64 3kw3 s ILE 283 N 1.14 3.90 -1.30 1.82 -1.09 0.46 -0.15 121.20 125.98 3kw3 s ILE 283 Ca 0.07 -0.82 -0.10 0.00 -2.23 0.00 0.00 60.65 57.57 3kw3 s ILE 283 Cb -0.14 -2.77 0.15 0.00 -1.58 0.00 0.00 42.46 38.12 3kw3 s ILE 283 CO 0.05 0.28 1.94 -0.24 -1.23 0.00 0.00 174.94 175.74 3kw3 n SER 284 N 1.13 5.11 -3.58 3.58 2.88 -0.34 -1.81 113.62 120.58 3kw3 n SER 284 Ca -0.13 -3.08 -0.16 0.00 -1.33 0.00 0.00 58.87 54.16 3kw3 n SER 284 Cb 0.52 -1.49 -0.07 0.00 -0.75 0.00 0.00 64.21 62.43 3kw3 n SER 284 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 3kw3 s ILE 285 N 0.59 0.00 0.13 2.46 1.10 -1.17 -4.57 121.20 119.75 3kw3 s ILE 285 Ca 0.41 -0.02 -0.03 0.00 -0.51 0.00 0.00 60.65 60.50 3kw3 s ILE 285 Cb 0.11 -0.96 0.01 0.00 0.15 0.00 0.00 42.46 41.76 3kw3 s ILE 285 CO -0.01 -0.01 0.23 0.61 -2.11 0.00 0.00 174.94 173.65 3kw3 n GLY 286 N 1.72 2.12 0.22 1.50 0.00 -1.25 -2.10 105.19 107.40 3kw3 n GLY 286 Ca -0.17 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 44.75 3kw3 n GLY 286 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3kw3 h TYR 287 N 1.35 0.00 0.00 1.61 -0.00 -0.88 -0.70 116.97 118.36 3kw3 h TYR 287 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.62 3kw3 h TYR 287 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.16 3kw3 h TYR 287 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 3kw3 h ALA 288 N 2.10 1.00 -0.01 0.10 0.00 -1.60 -2.42 119.26 118.44 3kw3 h ALA 288 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kw3 h ALA 288 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kw3 h ALA 288 CO 0.00 0.00 -0.10 -0.25 0.00 0.00 0.00 179.25 178.90 3kw3 n ASP 289 N -2.46 1.43 0.00 0.00 8.00 -0.28 -4.65 116.55 118.59 3kw3 n ASP 289 Ca 0.03 -1.31 0.00 0.00 0.71 0.00 0.00 54.79 54.22 3kw3 n ASP 289 Cb 0.31 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3kw3 n ASP 289 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kw3 n GLY 290 N 1.25 0.80 3.49 0.44 0.00 -0.91 -0.81 105.19 109.45 3kw3 n GLY 290 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3kw3 n GLY 290 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kw3 s TRP 291 N -2.12 2.53 0.28 1.61 -0.11 -1.15 -4.81 118.94 115.17 3kw3 s TRP 291 Ca 0.00 -0.36 -0.30 0.00 1.22 0.00 0.00 56.10 56.65 3kw3 s TRP 291 Cb 0.00 -4.41 -0.12 0.00 -1.50 0.00 0.00 33.47 27.43 3kw3 s TRP 291 CO 0.00 -1.80 1.52 -2.30 -4.62 0.00 0.00 176.95 169.75 3kw3 n PRO 292 N 8.31 2.47 0.33 5.86 -0.02 -1.26 -3.40 135.00 147.29 3kw3 n PRO 292 Ca -0.01 0.88 0.19 0.00 -2.02 0.00 0.00 63.50 62.54 3kw3 n PRO 292 Cb 0.47 -2.61 1.02 0.00 -0.02 0.00 0.00 33.50 32.36 3kw3 n PRO 292 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3kw3 h ARG 293 N 4.43 0.00 0.00 -0.52 2.43 -1.91 -1.97 114.38 116.84 3kw3 h ARG 293 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3kw3 h ARG 293 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3kw3 h ARG 293 CO 0.77 0.00 0.00 0.97 -1.51 0.00 0.00 179.97 180.20 3kw3 h ILE 294 N 0.00 0.00 0.00 1.20 2.10 -1.96 -2.64 117.51 116.21 3kw3 h ILE 294 Ca 0.00 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.71 3kw3 h ILE 294 Cb 0.33 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 3kw3 h ILE 294 CO -0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 3kw3 n LEU 295 N -2.47 0.00 -4.56 2.19 4.77 -0.74 -4.80 117.00 111.39 3kw3 n LEU 295 Ca 0.01 0.32 -0.54 0.00 -0.03 0.00 0.00 56.01 55.76 3kw3 n LEU 295 Cb 0.20 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 3kw3 n LEU 295 CO 0.20 -0.04 0.79 -1.20 -1.33 0.00 0.00 177.39 175.80 3kw3 n SER 296 N -1.32 1.07 -1.40 -1.43 7.64 -1.00 -0.25 113.62 116.94 3kw3 n SER 296 Ca 0.11 1.13 -0.17 0.00 1.01 0.00 0.00 58.87 60.96 3kw3 n SER 296 Cb 0.22 -1.10 -0.07 0.00 -1.01 0.00 0.00 64.21 62.25 3kw3 n SER 296 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3kw3 n ASN 297 N 2.17 -4.97 0.00 6.43 5.15 -0.05 -4.60 115.26 119.39 3kw3 n ASN 297 Ca 0.19 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 3kw3 n ASN 297 Cb 0.15 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.11 3kw3 n ASN 297 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 3kw3 n LYS 298 N -1.95 0.00 -0.98 1.20 4.81 0.01 -4.84 118.16 116.40 3kw3 n LYS 298 Ca -0.17 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 56.97 3kw3 n LYS 298 Cb 0.60 -0.28 0.25 0.00 0.02 0.00 0.00 35.03 35.62 3kw3 n LYS 298 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3kw3 s GLY 299 N -3.53 1.56 0.06 3.14 0.00 0.65 -4.79 107.32 104.41 3kw3 s GLY 299 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3kw3 s GLY 299 CO 0.00 -0.04 -0.07 -1.59 0.00 0.00 0.00 173.10 171.41 3kw3 s THR 300 N -2.91 0.54 0.27 0.90 2.01 -1.26 -0.86 115.64 114.33 3kw3 s THR 300 Ca 0.71 -1.37 0.05 0.00 0.31 0.00 0.00 61.69 61.39 3kw3 s THR 300 Cb -0.10 -0.96 -0.06 0.00 0.01 0.00 0.00 72.50 71.40 3kw3 s THR 300 CO 0.56 -0.57 -0.02 0.68 -0.69 0.00 0.00 174.62 174.57 3kw3 s VAL 301 N -2.21 1.37 -0.02 3.82 -7.23 0.28 -4.91 120.40 111.50 3kw3 s VAL 301 Ca -0.03 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 3kw3 s VAL 301 Cb -0.04 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 3kw3 s VAL 301 CO -0.02 -0.27 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.00 3kw3 s TYR 302 N -3.19 2.54 -0.17 2.82 1.51 0.09 -0.28 117.35 120.66 3kw3 s TYR 302 Ca 0.30 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 56.08 3kw3 s TYR 302 Cb 0.05 -1.55 0.04 0.00 -0.11 0.00 0.00 41.96 40.40 3kw3 s TYR 302 CO 0.11 0.12 -0.04 0.12 -1.11 0.00 0.00 175.55 174.75 3kw3 s PHE 303 N -0.73 1.66 -1.70 2.71 5.36 -0.60 0.51 117.98 125.18 3kw3 s PHE 303 Ca 0.12 -1.09 -0.19 0.00 -0.96 0.00 0.00 56.93 54.81 3kw3 s PHE 303 Cb -0.10 -1.29 0.16 0.00 -0.34 0.00 0.00 43.02 41.45 3kw3 s PHE 303 CO 0.01 -0.62 0.80 0.09 -1.46 0.00 0.00 175.22 174.03 3kw3 n ASN 304 N 4.88 -3.39 0.00 6.13 3.02 -1.26 -0.69 115.26 123.95 3kw3 n ASN 304 Ca -0.11 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3kw3 n ASN 304 Cb 0.47 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 3kw3 n ASN 304 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kw3 n GLY 305 N -1.38 0.65 3.87 7.41 0.00 -1.26 -5.04 105.19 109.43 3kw3 n GLY 305 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3kw3 n GLY 305 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kw3 s HIS 306 N -2.68 3.63 0.19 1.61 3.76 0.13 -5.06 115.29 116.87 3kw3 s HIS 306 Ca 0.00 0.64 -0.30 0.00 -0.15 0.00 0.00 55.06 55.25 3kw3 s HIS 306 Cb 0.00 -2.03 -0.08 0.00 1.11 0.00 0.00 32.58 31.59 3kw3 s HIS 306 CO 0.00 0.71 1.03 -1.59 -0.85 0.00 0.00 174.74 174.05 3kw3 s LYS 307 N -1.07 4.69 -0.18 1.40 0.00 -1.26 -1.55 119.74 121.76 3kw3 s LYS 307 Ca 0.18 1.62 -0.01 0.00 0.00 0.00 0.00 55.97 57.76 3kw3 s LYS 307 Cb -0.13 -3.29 0.05 0.00 0.00 0.00 0.00 37.83 34.46 3kw3 s LYS 307 CO 0.07 0.23 -0.03 -0.51 0.00 0.00 0.00 175.35 175.11 3kw3 s LEU 308 N -0.64 1.60 0.20 2.77 1.02 0.62 -4.95 118.68 119.29 3kw3 s LEU 308 Ca 0.46 -0.75 -0.30 0.00 0.02 0.00 0.00 54.13 53.56 3kw3 s LEU 308 Cb -0.28 -0.85 -0.08 0.00 0.02 0.00 0.00 46.19 45.00 3kw3 s LEU 308 CO 0.34 -0.22 1.18 -2.84 0.02 0.00 0.00 176.35 174.83 3kw3 s PRO 309 N 1.67 4.51 0.26 1.29 0.02 -1.26 -0.56 135.00 140.94 3kw3 s PRO 309 Ca -0.01 1.87 -0.29 0.00 0.02 0.00 0.00 61.00 62.59 3kw3 s PRO 309 Cb -0.16 -3.23 -0.10 0.00 0.02 0.00 0.00 34.50 31.03 3kw3 s PRO 309 CO -0.07 -0.05 1.27 0.42 -0.33 0.00 0.00 177.00 178.24 3kw3 s ILE 310 N -0.24 3.06 -0.17 2.83 1.01 -0.04 -1.41 121.20 126.25 3kw3 s ILE 310 Ca 0.51 0.98 -0.02 0.00 0.00 0.00 0.00 60.65 62.12 3kw3 s ILE 310 Cb -0.33 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 3kw3 s ILE 310 CO 0.38 0.20 -0.10 -0.69 0.00 0.00 0.00 174.94 174.72 3kw3 s VAL 311 N -0.60 3.06 0.00 2.92 1.01 0.84 -4.02 120.40 123.61 3kw3 s VAL 311 Ca 0.51 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3kw3 s VAL 311 Cb -0.37 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3kw3 s VAL 311 CO 0.44 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.64 3kw3 n GLY 312 N 4.19 0.47 3.76 4.51 0.00 -1.26 -4.41 105.19 112.45 3kw3 n GLY 312 Ca -0.19 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 3kw3 n GLY 312 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kw3 s HIS 313 N 0.00 3.44 -0.20 1.61 0.09 -1.26 -0.87 115.29 118.10 3kw3 s HIS 313 Ca 0.00 1.61 -0.28 0.00 -0.00 0.00 0.00 55.06 56.40 3kw3 s HIS 313 Cb 0.00 -3.39 0.00 0.00 -0.00 0.00 0.00 32.58 29.19 3kw3 s HIS 313 CO 0.00 -0.91 0.97 0.42 -0.00 0.00 0.00 174.74 175.23 3kw3 s ILE 314 N -1.09 4.75 0.79 0.60 1.01 -1.26 -4.68 121.20 121.31 3kw3 s ILE 314 Ca 0.46 1.91 -0.07 0.00 0.00 0.00 0.00 60.65 62.95 3kw3 s ILE 314 Cb -0.34 -4.26 0.13 0.00 0.01 0.00 0.00 42.46 38.00 3kw3 s ILE 314 CO 0.44 -0.10 1.10 -0.44 0.00 0.00 0.00 174.94 175.93 3kw3 s SER 315 N 1.20 4.10 0.25 3.58 0.01 -0.41 -4.79 113.70 117.63 3kw3 s SER 315 Ca 0.43 0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 3kw3 s SER 315 Cb -0.16 -0.40 0.28 0.00 0.21 0.00 0.00 66.02 65.95 3kw3 s SER 315 CO 0.09 -2.05 1.78 -0.03 0.41 0.00 0.00 173.24 173.44 3kw3 h MET 316 N -0.88 0.95 0.00 12.44 4.05 -1.93 -1.36 114.93 128.20 3kw3 h MET 316 Ca -0.41 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 58.80 3kw3 h MET 316 Cb 1.27 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 3kw3 h MET 316 CO 0.45 0.86 0.00 -0.25 0.23 0.00 0.00 176.91 178.19 3kw3 n ASP 317 N -4.25 1.23 -3.51 1.39 8.00 -1.26 -1.75 116.55 116.39 3kw3 n ASP 317 Ca 0.04 -1.31 -0.12 0.00 0.71 0.00 0.00 54.79 54.12 3kw3 n ASP 317 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 3kw3 n ASP 317 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kw3 s SER 318 N -0.31 -0.44 0.13 -2.24 1.04 -0.89 -3.05 113.70 107.94 3kw3 s SER 318 Ca 0.00 -0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 3kw3 s SER 318 Cb 0.00 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 3kw3 s SER 318 CO 0.00 -0.89 0.02 0.27 0.98 0.00 0.00 173.24 173.62 3kw3 s ILE 319 N -3.57 0.32 -0.11 -1.02 -4.36 -0.75 -1.29 121.20 110.42 3kw3 s ILE 319 Ca 0.01 -1.92 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 3kw3 s ILE 319 Cb 0.00 -1.99 0.01 0.00 1.25 0.00 0.00 42.46 41.73 3kw3 s ILE 319 CO -0.11 -0.55 -0.19 -0.63 0.24 0.00 0.00 174.94 173.70 3kw3 s ILE 320 N -3.89 1.77 0.14 8.37 1.01 -1.26 -0.41 121.20 126.92 3kw3 s ILE 320 Ca 0.21 -0.82 0.11 0.00 0.00 0.00 0.00 60.65 60.16 3kw3 s ILE 320 Cb 0.07 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3kw3 s ILE 320 CO 0.01 0.49 -0.27 0.68 0.00 0.00 0.00 174.94 175.85 3kw3 s VAL 321 N 0.75 2.26 -0.33 2.92 -7.23 0.21 -0.11 120.40 118.87 3kw3 s VAL 321 Ca -0.10 -1.78 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 3kw3 s VAL 321 Cb -0.16 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 3kw3 s VAL 321 CO 0.01 0.07 0.39 -0.62 -0.31 0.00 0.00 175.10 174.64 3kw3 s ASP 322 N -2.11 6.21 -0.02 4.85 -1.08 -0.50 -0.70 116.67 123.33 3kw3 s ASP 322 Ca 0.14 -0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.26 3kw3 s ASP 322 Cb -0.10 -2.21 0.63 0.00 -1.46 0.00 0.00 42.92 39.79 3kw3 s ASP 322 CO 0.06 -0.34 1.53 0.00 0.52 0.00 0.00 175.17 176.95 3kw3 n ALA 323 N 5.43 2.45 -0.15 3.66 0.00 0.13 -4.00 120.51 128.04 3kw3 n ALA 323 Ca -0.08 -1.34 -0.03 0.00 0.00 0.00 0.00 53.44 51.99 3kw3 n ALA 323 Cb 0.49 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.10 3kw3 n ALA 323 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3kw3 h THR 324 N 4.10 0.65 0.00 0.00 2.02 -1.91 -2.67 112.91 115.11 3kw3 h THR 324 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3kw3 h THR 324 Cb 1.04 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3kw3 h THR 324 CO 0.03 0.02 0.00 0.47 0.37 0.00 0.00 175.52 176.41 3kw3 n ASP 325 N -5.20 0.07 -4.80 4.18 8.00 -1.26 -4.84 116.55 112.70 3kw3 n ASP 325 Ca 0.05 0.51 -0.37 0.00 0.71 0.00 0.00 54.79 55.69 3kw3 n ASP 325 Cb 0.25 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 3kw3 n ASP 325 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kw3 s LEU 326 N -3.15 4.39 -0.06 0.64 1.02 -1.01 -5.00 118.68 115.51 3kw3 s LEU 326 Ca 0.10 1.58 -0.24 0.00 0.02 0.00 0.00 54.13 55.59 3kw3 s LEU 326 Cb 0.13 -3.66 -0.19 0.00 0.02 0.00 0.00 46.19 42.49 3kw3 s LEU 326 CO 0.39 0.04 0.94 0.44 0.02 0.00 0.00 176.35 178.17 3kw3 h ASP 327 N 3.51 -0.09 -3.39 2.29 3.32 -1.89 -3.41 116.42 116.77 3kw3 h ASP 327 Ca -0.47 -0.52 -0.73 0.00 0.02 0.00 0.00 57.03 55.33 3kw3 h ASP 327 Cb 1.19 0.02 -0.24 0.00 0.22 0.00 0.00 39.33 40.53 3kw3 h ASP 327 CO 0.65 0.54 -0.40 -0.54 -1.72 0.00 0.00 179.24 177.78 3kw3 s LYS 328 N -3.36 2.85 0.22 3.56 -0.14 -1.26 -5.08 119.74 116.54 3kw3 s LYS 328 Ca -0.15 -1.34 -0.21 0.00 -1.36 0.00 0.00 55.97 52.92 3kw3 s LYS 328 Cb 0.00 -3.98 -0.08 0.00 -1.68 0.00 0.00 37.83 32.09 3kw3 s LYS 328 CO 0.57 -0.96 0.75 0.15 -0.76 0.00 0.00 175.35 175.10 3kw3 s LYS 329 N 1.57 4.33 0.31 1.68 1.02 -1.26 -5.04 119.74 122.36 3kw3 s LYS 329 Ca 0.04 0.96 -0.29 0.00 0.02 0.00 0.00 55.97 56.70 3kw3 s LYS 329 Cb -0.23 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.05 3kw3 s LYS 329 CO 0.05 0.41 1.20 -1.25 -0.92 0.00 0.00 175.35 174.85 3kw3 s PRO 330 N -1.85 4.46 0.41 -1.68 0.04 -1.26 -5.03 135.00 130.09 3kw3 s PRO 330 Ca 0.42 2.00 0.08 0.00 0.04 0.00 0.00 61.00 63.54 3kw3 s PRO 330 Cb -0.18 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 3kw3 s PRO 330 CO 0.22 -0.02 0.28 -0.65 0.04 0.00 0.00 177.00 176.87 3kw3 s GLN 331 N -1.68 2.40 0.05 4.56 -1.52 -1.26 -4.87 119.66 117.34 3kw3 s GLN 331 Ca 0.48 -1.67 -0.36 0.00 -1.95 0.00 0.00 55.36 51.86 3kw3 s GLN 331 Cb -0.36 -2.20 -0.15 0.00 -0.22 0.00 0.00 33.01 30.08 3kw3 s GLN 331 CO 0.47 -0.15 1.54 -2.13 -0.25 0.00 0.00 175.29 174.76 3kw3 n ARG 332 N -1.40 1.62 0.00 2.91 0.63 -1.26 -0.28 116.66 118.87 3kw3 n ARG 332 Ca 0.01 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 3kw3 n ARG 332 Cb 0.63 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.24 3kw3 n ARG 332 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kw3 n GLY 333 N 3.26 3.25 3.72 5.14 0.00 -0.12 -5.00 105.19 115.44 3kw3 n GLY 333 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3kw3 n GLY 333 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kw3 s ASP 334 N -0.39 3.54 -0.02 1.61 1.01 0.61 -4.71 116.67 118.31 3kw3 s ASP 334 Ca 0.00 1.55 0.08 0.00 0.71 0.00 0.00 52.55 54.89 3kw3 s ASP 334 Cb 0.00 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 3kw3 s ASP 334 CO 0.00 -2.61 -0.26 0.26 0.21 0.00 0.00 175.17 172.77 3kw3 s TRP 335 N -2.91 2.34 0.19 4.23 0.52 -1.26 0.04 118.94 122.09 3kw3 s TRP 335 Ca 0.63 -0.46 0.09 0.00 0.02 0.00 0.00 56.10 56.38 3kw3 s TRP 335 Cb -0.18 -1.51 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 3kw3 s TRP 335 CO 0.57 -0.05 -0.08 0.14 0.02 0.00 0.00 176.95 177.55 3kw3 s VAL 336 N -0.58 3.25 -0.18 4.03 -7.23 0.03 -4.83 120.40 114.89 3kw3 s VAL 336 Ca 0.09 -1.68 -0.16 0.00 -1.81 0.00 0.00 61.98 58.42 3kw3 s VAL 336 Cb -0.10 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 3kw3 s VAL 336 CO -0.01 -0.15 0.40 -0.70 -0.31 0.00 0.00 175.10 174.34 3kw3 s GLU 337 N -2.95 4.22 -0.26 4.82 2.12 0.18 -1.94 118.70 124.89 3kw3 s GLU 337 Ca 0.26 0.24 -0.09 0.00 0.36 0.00 0.00 54.97 55.73 3kw3 s GLU 337 Cb -0.08 -3.50 -0.13 0.00 0.26 0.00 0.00 34.13 30.68 3kw3 s GLU 337 CO 0.16 0.04 -0.31 1.28 -0.54 0.00 0.00 175.26 175.89 3kw3 n LEU 338 N 4.20 2.14 -4.12 2.70 4.77 0.17 -0.74 117.00 126.13 3kw3 n LEU 338 Ca -0.08 0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 3kw3 n LEU 338 Cb 0.51 -0.80 -0.16 0.00 -2.33 0.00 0.00 43.42 40.64 3kw3 n LEU 338 CO 0.41 0.64 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.98 3kw3 s ILE 339 N -2.48 1.43 -1.51 -0.08 1.01 -1.06 -4.81 121.20 113.70 3kw3 s ILE 339 Ca -0.36 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.59 3kw3 s ILE 339 Cb 0.13 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.35 3kw3 s ILE 339 CO 0.49 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.45 3kw3 n GLY 340 N 3.30 -0.55 0.21 6.18 0.00 0.25 -1.28 105.19 113.30 3kw3 n GLY 340 Ca -0.19 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.15 3kw3 n GLY 340 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kw3 h PRO 341 N 0.00 0.00 0.00 1.61 0.13 -1.99 -2.05 132.00 129.70 3kw3 h PRO 341 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 3kw3 h PRO 341 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3kw3 h PRO 341 CO 0.00 0.25 -0.45 0.45 -0.23 0.00 0.00 178.00 178.02 3kw3 h HIS 342 N 0.00 0.00 -2.61 1.56 3.86 -1.98 -3.40 115.15 112.58 3kw3 h HIS 342 Ca -0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 3kw3 h HIS 342 Cb 0.45 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.53 3kw3 h HIS 342 CO 0.00 0.25 -0.84 -1.14 0.86 0.00 0.00 177.93 177.06 3kw3 s GLN 343 N -3.10 0.52 0.78 2.45 0.74 -0.79 -5.09 119.66 115.17 3kw3 s GLN 343 Ca 0.04 -1.26 -0.11 0.00 0.05 0.00 0.00 55.36 54.08 3kw3 s GLN 343 Cb 0.07 -1.29 0.06 0.00 1.10 0.00 0.00 33.01 32.95 3kw3 s GLN 343 CO 0.73 -1.19 1.10 -2.14 -0.55 0.00 0.00 175.29 173.23 3kw3 s PRO 344 N 1.17 2.19 0.26 1.67 0.02 -1.09 -0.58 135.00 138.63 3kw3 s PRO 344 Ca 0.17 0.60 -0.03 0.00 0.02 0.00 0.00 61.00 61.76 3kw3 s PRO 344 Cb -0.22 -1.93 0.54 0.00 0.02 0.00 0.00 34.50 32.90 3kw3 s PRO 344 CO -0.03 -1.54 1.68 -0.07 -0.33 0.00 0.00 177.00 176.72 3kw3 h LEU 345 N -1.03 0.04 -0.72 -5.54 3.38 -1.94 -0.71 115.31 108.79 3kw3 h LEU 345 Ca -0.47 0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.75 3kw3 h LEU 345 Cb 1.27 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 42.16 3kw3 h LEU 345 CO 0.60 -0.06 0.38 -0.33 0.09 0.00 0.00 178.44 179.12 3kw3 h GLU 346 N 0.27 0.64 -0.27 1.13 3.07 -1.97 -0.21 114.58 117.24 3kw3 h GLU 346 Ca 0.46 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.24 3kw3 h GLU 346 Cb 0.83 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3kw3 h GLU 346 CO -0.55 0.42 -0.01 -0.22 -1.40 0.00 0.00 179.01 177.25 3kw3 h LYS 347 N 0.66 0.48 -0.92 2.33 1.63 -1.50 -1.58 116.57 117.66 3kw3 h LYS 347 Ca 0.35 -0.16 0.01 0.00 -0.85 0.00 0.00 60.65 60.00 3kw3 h LYS 347 Cb 0.33 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 3kw3 h LYS 347 CO -0.25 0.65 0.60 0.28 -3.45 0.00 0.00 179.45 177.28 3kw3 h VAL 348 N 0.25 1.24 0.18 2.00 2.07 -1.04 -1.07 116.25 119.88 3kw3 h VAL 348 Ca 0.07 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3kw3 h VAL 348 Cb 0.44 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kw3 h VAL 348 CO 0.02 0.23 -0.09 0.28 0.02 0.00 0.00 177.57 178.03 3kw3 h SER 349 N 1.25 -0.21 -0.05 0.57 0.02 -0.83 -0.96 113.55 113.34 3kw3 h SER 349 Ca 0.33 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.26 3kw3 h SER 349 Cb -0.13 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 3kw3 h SER 349 CO -0.07 -0.07 -0.28 0.74 -1.14 0.00 0.00 176.83 176.01 3kw3 h THR 350 N -0.34 0.36 -0.82 -2.27 2.02 -1.15 0.29 112.91 111.01 3kw3 h THR 350 Ca -0.03 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.35 3kw3 h THR 350 Cb 0.26 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3kw3 h THR 350 CO 0.04 0.00 0.56 0.44 0.37 0.00 0.00 175.52 176.93 3kw3 h ASP 351 N -0.40 0.29 0.08 4.18 5.19 -1.10 -1.74 116.42 122.91 3kw3 h ASP 351 Ca 0.08 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3kw3 h ASP 351 Cb 0.51 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.99 3kw3 h ASP 351 CO -0.28 0.13 -0.15 0.41 -3.12 0.00 0.00 179.24 176.23 3kw3 n THR 352 N -4.45 0.00 -3.68 0.35 -1.04 -0.38 -4.83 114.28 100.26 3kw3 n THR 352 Ca 0.17 -0.24 -0.24 0.00 -2.04 0.00 0.00 64.05 61.70 3kw3 n THR 352 Cb 0.69 0.68 0.05 0.00 -1.82 0.00 0.00 70.33 69.93 3kw3 n THR 352 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3kw3 n ASN 353 N -0.00 -3.62 -0.15 8.00 5.15 -0.03 -4.99 115.26 119.61 3kw3 n ASN 353 Ca 0.15 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.43 3kw3 n ASN 353 Cb 0.40 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.17 3kw3 n ASN 353 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3kw3 n THR 354 N -4.54 0.00 -4.35 -0.44 5.66 -0.46 -5.03 114.28 105.12 3kw3 n THR 354 Ca -0.13 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.63 3kw3 n THR 354 Cb 0.61 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.30 3kw3 n THR 354 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3kw3 s ILE 355 N -1.67 3.12 0.58 1.09 -4.36 -1.26 -4.17 121.20 114.53 3kw3 s ILE 355 Ca 0.00 -2.03 0.27 0.00 -0.26 0.00 0.00 60.65 58.62 3kw3 s ILE 355 Cb 0.00 -2.65 0.34 0.00 1.25 0.00 0.00 42.46 41.40 3kw3 s ILE 355 CO 0.00 -0.35 2.20 -0.65 0.24 0.00 0.00 174.94 176.38 3kw3 h PRO 356 N 2.13 0.00 -0.91 0.37 0.11 -1.92 -1.86 132.00 129.92 3kw3 h PRO 356 Ca -0.43 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.73 3kw3 h PRO 356 Cb 1.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 3kw3 h PRO 356 CO 0.59 0.00 0.58 0.45 -0.21 0.00 0.00 178.00 179.41 3kw3 h HIS 357 N 0.00 1.08 0.02 0.65 3.86 -1.97 -1.44 115.15 117.35 3kw3 h HIS 357 Ca 0.02 0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.05 3kw3 h HIS 357 Cb 0.13 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 3kw3 h HIS 357 CO 0.00 0.58 -0.95 1.49 0.86 0.00 0.00 177.93 179.91 3kw3 h GLU 358 N 1.08 0.26 -0.32 2.45 4.81 -1.75 -2.38 114.58 118.72 3kw3 h GLU 358 Ca 0.38 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3kw3 h GLU 358 Cb 0.10 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3kw3 h GLU 358 CO -0.15 1.03 0.17 0.82 -0.73 0.00 0.00 179.01 180.15 3kw3 h ILE 359 N 0.13 1.01 -0.23 2.32 1.08 -1.35 -1.69 117.51 118.78 3kw3 h ILE 359 Ca -0.06 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3kw3 h ILE 359 Cb 1.60 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 3kw3 h ILE 359 CO 0.15 0.07 0.15 -0.07 -0.69 0.00 0.00 178.15 177.75 3kw3 h LEU 360 N 0.36 0.27 -0.94 1.44 3.38 -1.26 -3.00 115.31 115.55 3kw3 h LEU 360 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kw3 h LEU 360 Cb 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kw3 h LEU 360 CO -0.08 0.21 0.00 0.71 0.09 0.00 0.00 178.44 179.37 3kw3 h THR 361 N 0.30 0.00 -0.00 0.22 1.35 -1.36 -2.69 112.91 110.73 3kw3 h THR 361 Ca 0.08 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3kw3 h THR 361 Cb -0.02 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3kw3 h THR 361 CO -0.02 0.00 -0.20 -1.20 -0.25 0.00 0.00 175.52 173.85 3kw3 n SER 362 N -2.65 0.54 -4.68 5.36 7.64 -0.64 -4.83 113.62 114.35 3kw3 n SER 362 Ca 0.02 -0.46 -0.45 0.00 1.01 0.00 0.00 58.87 58.99 3kw3 n SER 362 Cb 0.29 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 3kw3 n SER 362 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kw3 n LEU 363 N -1.05 3.62 -4.94 -3.43 4.77 -1.01 -3.92 117.00 111.04 3kw3 n LEU 363 Ca 0.11 1.00 -0.30 0.00 -0.03 0.00 0.00 56.01 56.79 3kw3 n LEU 363 Cb 0.31 -1.45 0.21 0.00 -2.33 0.00 0.00 43.42 40.15 3kw3 n LEU 363 CO 0.27 -0.01 0.90 -0.83 -1.33 0.00 0.00 177.39 176.38 3kw3 s GLY 364 N 2.92 1.83 0.00 -0.72 0.00 0.01 -4.95 107.32 106.41 3kw3 s GLY 364 Ca 0.86 -1.33 0.22 0.00 0.00 0.00 0.00 44.72 44.46 3kw3 s GLY 364 CO 0.43 -0.50 1.47 0.28 0.00 0.00 0.00 173.10 174.78 3kw3 n LYS 365 N -3.87 2.51 0.00 2.90 4.76 -1.26 -4.16 118.16 119.04 3kw3 n LYS 365 Ca 0.17 -2.32 0.11 0.00 -2.87 0.00 0.00 58.31 53.40 3kw3 n LYS 365 Cb 0.59 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 32.25 3kw3 n LYS 365 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3kw3 n ARG 366 N 1.44 0.90 -2.07 1.97 1.74 -1.26 -4.93 116.66 114.45 3kw3 n ARG 366 Ca 0.21 -0.74 -0.41 0.00 -0.77 0.00 0.00 57.85 56.14 3kw3 n ARG 366 Cb 0.58 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 3kw3 n ARG 366 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kw3 s TYR 367 N -2.61 3.04 0.05 -1.55 2.02 -1.26 -4.78 117.35 112.27 3kw3 s TYR 367 Ca 0.16 1.24 -0.30 0.00 -0.37 0.00 0.00 57.07 57.80 3kw3 s TYR 367 Cb 0.18 -3.74 -0.05 0.00 -0.40 0.00 0.00 41.96 37.95 3kw3 s TYR 367 CO 0.64 -2.20 1.19 0.21 -1.57 0.00 0.00 175.55 173.82 3kw3 s LYS 368 N -1.10 4.43 -0.21 -0.62 2.20 -0.50 -4.86 119.74 119.08 3kw3 s LYS 368 Ca 0.54 1.75 -0.07 0.00 -0.36 0.00 0.00 55.97 57.83 3kw3 s LYS 368 Cb -0.40 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 3kw3 s LYS 368 CO 0.48 -0.27 0.05 1.03 -0.36 0.00 0.00 175.35 176.29 3kw3 s ARG 369 N 1.18 3.81 -0.10 4.03 0.52 -1.26 -0.85 118.95 126.27 3kw3 s ARG 369 Ca 0.58 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 3kw3 s ARG 369 Cb -0.29 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 3kw3 s ARG 369 CO 0.28 0.08 -0.19 0.42 0.02 0.00 0.00 175.30 175.92 3kw3 s ILE 370 N 0.88 2.58 -0.21 1.52 1.01 0.21 -4.99 121.20 122.20 3kw3 s ILE 370 Ca 0.03 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 3kw3 s ILE 370 Cb -0.14 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3kw3 s ILE 370 CO 0.02 0.55 0.01 -0.31 0.00 0.00 0.00 174.94 175.22 3kw3 s TYR 371 N 0.17 3.06 0.00 3.97 2.02 -1.26 -0.03 117.35 125.28 3kw3 s TYR 371 Ca -0.10 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 3kw3 s TYR 371 Cb -0.16 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 3kw3 s TYR 371 CO 0.06 -0.23 0.41 0.44 -1.57 0.00 0.00 175.55 174.67