#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqa n ASP 2 N 0.00 1.46 -3.96 6.12 9.92 -1.26 -4.62 116.55 124.20 3kqa n ASP 2 Ca 0.00 0.69 -0.09 0.00 -0.53 0.00 0.00 54.79 54.85 3kqa n ASP 2 Cb 0.00 -1.53 -0.07 0.00 -0.64 0.00 0.00 41.12 38.88 3kqa n ASP 2 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3kqa s LYS 3 N -3.79 1.12 -0.13 -1.24 1.02 -0.67 -2.97 119.74 113.08 3kqa s LYS 3 Ca 0.77 -1.17 -0.00 0.00 0.02 0.00 0.00 55.97 55.59 3kqa s LYS 3 Cb -0.33 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.33 3kqa s LYS 3 CO 0.46 -0.40 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.31 3kqa s PHE 4 N -3.96 2.82 -0.28 3.18 2.99 -0.48 -1.11 117.98 121.14 3kqa s PHE 4 Ca 0.17 -0.59 -0.10 0.00 0.00 0.00 0.00 56.93 56.40 3kqa s PHE 4 Cb 0.04 -1.84 -0.04 0.00 0.00 0.00 0.00 43.02 41.17 3kqa s PHE 4 CO -0.01 -0.18 0.17 0.50 -0.00 0.00 0.00 175.22 175.70 3kqa s ARG 5 N 0.30 3.83 0.12 0.44 3.52 0.49 -1.11 118.95 126.54 3kqa s ARG 5 Ca -0.10 -0.39 0.08 0.00 -0.13 0.00 0.00 55.73 55.19 3kqa s ARG 5 Cb -0.16 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 3kqa s ARG 5 CO 0.05 -0.21 -0.15 0.08 -0.81 0.00 0.00 175.30 174.26 3kqa s VAL 6 N 1.72 3.02 -0.05 7.11 1.01 -0.09 -1.30 120.40 131.83 3kqa s VAL 6 Ca 0.07 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.63 3kqa s VAL 6 Cb -0.16 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3kqa s VAL 6 CO 0.09 0.09 -0.11 -1.10 0.00 0.00 0.00 175.10 174.08 3kqa s GLN 7 N -2.20 1.40 0.31 2.72 -0.21 -0.27 -1.15 119.66 120.26 3kqa s GLN 7 Ca 0.19 -0.37 0.06 0.00 0.02 0.00 0.00 55.36 55.26 3kqa s GLN 7 Cb -0.11 -1.22 -0.02 0.00 1.00 0.00 0.00 33.01 32.67 3kqa s GLN 7 CO 0.11 0.06 0.21 0.41 -2.12 0.00 0.00 175.29 173.97 3kqa n GLY 8 N 3.61 3.14 3.80 3.09 0.00 -0.63 -4.19 105.19 114.02 3kqa n GLY 8 Ca -0.21 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 3kqa n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqa s PRO 9 N -3.23 4.36 0.01 1.61 0.04 -1.00 -2.15 135.00 134.64 3kqa s PRO 9 Ca 0.30 0.94 0.04 0.00 0.04 0.00 0.00 61.00 62.32 3kqa s PRO 9 Cb 0.01 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 3kqa s PRO 9 CO 0.21 0.53 -0.14 0.95 0.04 0.00 0.00 177.00 178.59 3kqa s THR 10 N -1.27 1.07 -0.01 1.26 -4.23 -0.06 -5.00 115.64 107.40 3kqa s THR 10 Ca 0.37 -0.73 -0.25 0.00 -1.18 0.00 0.00 61.69 59.89 3kqa s THR 10 Cb -0.20 -0.92 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 3kqa s THR 10 CO 0.23 0.19 0.79 -0.60 -0.54 0.00 0.00 174.62 174.68 3kqa s ARG 11 N -0.62 4.49 -0.35 3.99 3.52 -1.26 -4.58 118.95 124.13 3kqa s ARG 11 Ca 0.04 1.07 -0.13 0.00 -0.13 0.00 0.00 55.73 56.58 3kqa s ARG 11 Cb -0.06 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 3kqa s ARG 11 CO 0.00 0.13 0.24 -0.51 -0.81 0.00 0.00 175.30 174.35 3kqa s LEU 12 N 0.50 4.58 0.19 -0.88 1.43 -1.26 -4.56 118.68 118.68 3kqa s LEU 12 Ca 0.41 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 3kqa s LEU 12 Cb -0.20 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 3kqa s LEU 12 CO 0.22 -0.26 0.36 0.00 0.23 0.00 0.00 176.35 176.90 3kqa s GLN 13 N 1.71 1.28 0.00 1.70 -2.07 0.20 -3.71 119.66 118.76 3kqa s GLN 13 Ca 0.06 -1.14 0.00 0.00 -1.82 0.00 0.00 55.36 52.46 3kqa s GLN 13 Cb -0.18 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 3kqa s GLN 13 CO 0.10 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 173.99 3kqa n GLY 14 N -0.27 0.08 3.17 2.60 0.00 -0.34 -4.27 105.19 106.16 3kqa n GLY 14 Ca -0.06 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 3kqa n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kqa s GLU 15 N -0.15 0.82 0.00 1.61 2.02 -1.26 -1.31 118.70 120.42 3kqa s GLU 15 Ca 0.00 -1.07 -0.02 0.00 0.02 0.00 0.00 54.97 53.91 3kqa s GLU 15 Cb 0.00 -0.62 -0.01 0.00 0.10 0.00 0.00 34.13 33.61 3kqa s GLU 15 CO 0.00 0.11 0.02 0.54 0.02 0.00 0.00 175.26 175.96 3kqa s VAL 16 N -1.99 0.05 -0.25 2.63 0.11 -0.66 -4.80 120.40 115.49 3kqa s VAL 16 Ca 0.02 -0.44 -0.08 0.00 -2.93 0.00 0.00 61.98 58.55 3kqa s VAL 16 Cb -0.06 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 3kqa s VAL 16 CO 0.01 -0.24 0.09 -0.89 -3.33 0.00 0.00 175.10 170.74 3kqa s THR 17 N -0.73 4.53 0.17 5.04 2.01 -1.26 -0.46 115.64 124.94 3kqa s THR 17 Ca -0.08 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 3kqa s THR 17 Cb -0.05 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 3kqa s THR 17 CO -0.00 0.33 1.18 -0.63 -0.69 0.00 0.00 174.62 174.81 3kqa s ILE 18 N 1.59 3.68 0.76 1.82 -1.09 0.29 -4.92 121.20 123.32 3kqa s ILE 18 Ca 0.06 1.39 -0.12 0.00 -2.23 0.00 0.00 60.65 59.75 3kqa s ILE 18 Cb -0.15 -3.89 0.05 0.00 -1.58 0.00 0.00 42.46 36.89 3kqa s ILE 18 CO 0.05 0.21 1.12 -0.44 -1.23 0.00 0.00 174.94 174.65 3kqa s SER 19 N 0.22 4.96 0.57 3.58 0.01 -1.26 -4.79 113.70 116.99 3kqa s SER 19 Ca 0.53 1.07 -0.17 0.00 1.31 0.00 0.00 55.95 58.69 3kqa s SER 19 Cb -0.32 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 3kqa s SER 19 CO 0.35 -1.65 1.06 -0.83 0.41 0.00 0.00 173.24 172.58 3kqa s GLY 20 N -4.31 2.22 -0.20 3.44 0.00 -1.24 -0.63 107.32 106.60 3kqa s GLY 20 Ca 0.60 0.46 -0.29 0.00 0.00 0.00 0.00 44.72 45.48 3kqa s GLY 20 CO 0.52 0.78 1.17 0.00 0.00 0.00 0.00 173.10 175.56 3kqa s ALA 21 N -2.33 3.66 0.39 3.20 0.00 -0.30 -4.37 121.76 122.01 3kqa s ALA 21 Ca 0.65 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.99 3kqa s ALA 21 Cb -0.16 -3.60 0.79 0.00 0.00 0.00 0.00 23.12 20.14 3kqa s ALA 21 CO 0.33 -1.16 2.01 -0.22 0.00 0.00 0.00 175.76 176.72 3kqa h LYS 22 N 7.94 0.54 0.00 0.00 3.64 -1.93 0.19 116.57 126.95 3kqa h LYS 22 Ca -0.23 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3kqa h LYS 22 Cb 1.08 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3kqa h LYS 22 CO 0.98 0.41 0.00 0.09 -2.27 0.00 0.00 179.45 178.66 3kqa n ASN 23 N -4.42 0.10 -0.09 4.20 3.02 -1.26 -1.06 115.26 115.74 3kqa n ASN 23 Ca 0.03 0.52 -0.11 0.00 -0.03 0.00 0.00 54.58 54.98 3kqa n ASN 23 Cb 0.11 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 3kqa n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqa n ALA 24 N -1.54 1.61 -0.20 5.41 0.00 -0.71 -4.48 120.51 120.59 3kqa n ALA 24 Ca 0.04 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.55 3kqa n ALA 24 Cb 0.23 0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.73 3kqa n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqa h ALA 25 N 0.21 0.75 0.53 0.00 0.00 -0.41 -2.35 119.26 117.99 3kqa h ALA 25 Ca -0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3kqa h ALA 25 Cb 1.72 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 3kqa h ALA 25 CO -0.04 0.43 -0.32 -0.07 0.00 0.00 0.00 179.25 179.25 3kqa h LEU 26 N 0.81 -0.80 -1.58 0.00 3.38 -1.34 0.96 115.31 116.73 3kqa h LEU 26 Ca 0.18 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3kqa h LEU 26 Cb 0.31 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3kqa h LEU 26 CO -0.00 -0.50 0.21 1.55 0.09 0.00 0.00 178.44 179.78 3kqa h PRO 27 N -0.80 0.49 -0.52 1.13 0.13 -1.78 -1.65 132.00 128.99 3kqa h PRO 27 Ca -0.06 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.91 3kqa h PRO 27 Cb 0.65 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 3kqa h PRO 27 CO 0.07 0.36 -0.14 0.82 -0.23 0.00 0.00 178.00 178.88 3kqa h ILE 28 N 0.50 1.27 -0.61 -3.56 2.04 -1.10 0.02 117.51 116.07 3kqa h ILE 28 Ca 0.13 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 3kqa h ILE 28 Cb -0.00 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3kqa h ILE 28 CO -0.02 0.45 0.33 -0.07 0.00 0.00 0.00 178.15 178.84 3kqa h LEU 29 N 0.89 0.77 -0.57 1.44 3.38 0.03 -0.13 115.31 121.11 3kqa h LEU 29 Ca 0.13 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3kqa h LEU 29 Cb 0.70 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3kqa h LEU 29 CO 0.05 0.65 -0.63 -0.26 0.09 0.00 0.00 178.44 178.34 3kqa h PHE 30 N 0.83 0.42 0.00 1.13 -1.00 -1.21 -2.33 116.94 114.78 3kqa h PHE 30 Ca 0.21 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 3kqa h PHE 30 Cb 0.05 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.54 3kqa h PHE 30 CO -0.01 0.86 -0.08 0.00 -1.61 0.00 0.00 178.31 177.47 3kqa h ALA 31 N 1.10 1.66 0.00 2.45 0.00 -0.42 -1.13 119.26 122.92 3kqa h ALA 31 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kqa h ALA 31 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kqa h ALA 31 CO 0.10 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3kqa n ALA 32 N -2.43 1.11 0.31 0.00 0.00 -0.11 -1.08 120.51 118.31 3kqa n ALA 32 Ca -0.03 0.19 0.20 0.00 0.00 0.00 0.00 53.44 53.81 3kqa n ALA 32 Cb 0.17 -1.32 0.99 0.00 0.00 0.00 0.00 19.45 19.28 3kqa n ALA 32 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kqa h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.32 -1.14 115.31 116.24 3kqa h LEU 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kqa h LEU 33 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kqa h LEU 33 CO 0.00 0.00 -0.17 -0.07 0.09 0.00 0.00 178.44 178.29 3kqa h LEU 34 N 0.00 0.00 -9.45 1.67 3.38 -1.30 -3.47 115.31 106.14 3kqa h LEU 34 Ca 0.00 -0.04 -0.54 0.00 0.09 0.00 0.00 57.88 57.39 3kqa h LEU 34 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kqa h LEU 34 CO 0.00 0.02 0.47 0.00 0.09 0.00 0.00 178.44 179.02 3kqa s ALA 35 N -3.15 3.28 -0.82 1.53 0.00 -0.43 -4.21 121.76 117.95 3kqa s ALA 35 Ca 0.08 0.70 0.24 0.00 0.00 0.00 0.00 51.96 52.98 3kqa s ALA 35 Cb 0.11 -3.39 0.24 0.00 0.00 0.00 0.00 23.12 20.08 3kqa s ALA 35 CO 0.65 -0.33 1.21 0.39 0.00 0.00 0.00 175.76 177.68 3kqa n GLU 36 N 3.88 0.14 -4.45 0.00 1.02 -0.64 -4.15 120.64 116.44 3kqa n GLU 36 Ca 0.07 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.00 3kqa n GLU 36 Cb 0.49 -1.56 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 3kqa n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kqa s GLU 37 N -3.09 1.61 0.32 3.49 2.02 -1.22 -4.30 118.70 117.53 3kqa s GLU 37 Ca 0.08 -1.78 -0.28 0.00 0.02 0.00 0.00 54.97 53.00 3kqa s GLU 37 Cb 0.16 -1.43 -0.13 0.00 0.10 0.00 0.00 34.13 32.83 3kqa s GLU 37 CO 0.76 0.16 1.26 -2.30 0.02 0.00 0.00 175.26 175.15 3kqa n PRO 38 N -0.61 2.00 -4.90 0.39 -0.02 -1.26 -4.24 135.00 126.36 3kqa n PRO 38 Ca -0.06 0.70 -0.26 0.00 -2.02 0.00 0.00 63.50 61.86 3kqa n PRO 38 Cb 0.62 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 3kqa n PRO 38 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kqa s VAL 39 N -0.98 1.58 -0.13 -1.45 1.01 0.57 -1.50 120.40 119.50 3kqa s VAL 39 Ca 0.57 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3kqa s VAL 39 Cb -0.60 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3kqa s VAL 39 CO 0.61 0.39 -0.20 -0.70 0.00 0.00 0.00 175.10 175.19 3kqa s GLU 40 N -0.60 3.10 -0.24 2.72 2.12 0.12 -0.59 118.70 125.33 3kqa s GLU 40 Ca 0.08 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.55 3kqa s GLU 40 Cb -0.08 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.88 3kqa s GLU 40 CO -0.00 0.07 -0.06 0.42 -0.54 0.00 0.00 175.26 175.15 3kqa s ILE 41 N 0.63 3.02 0.36 -3.70 1.01 -0.17 -1.30 121.20 121.06 3kqa s ILE 41 Ca -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.70 3kqa s ILE 41 Cb -0.16 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 3kqa s ILE 41 CO 0.02 0.27 0.56 -1.10 0.00 0.00 0.00 174.94 174.69 3kqa s GLN 42 N 1.37 3.36 -1.29 2.79 -0.21 0.72 -0.03 119.66 126.38 3kqa s GLN 42 Ca 0.02 -0.45 -0.08 0.00 0.02 0.00 0.00 55.36 54.87 3kqa s GLN 42 Cb -0.16 -2.67 0.01 0.00 1.00 0.00 0.00 33.01 31.19 3kqa s GLN 42 CO -0.04 0.07 1.12 -1.71 -2.12 0.00 0.00 175.29 172.61 3kqa n ASN 43 N -1.82 -5.69 -4.61 5.90 4.05 -1.01 -1.19 115.26 110.90 3kqa n ASN 43 Ca -0.03 -0.53 -0.39 0.00 0.45 0.00 0.00 54.58 54.07 3kqa n ASN 43 Cb 0.57 -4.89 -0.09 0.00 1.23 0.00 0.00 39.78 36.60 3kqa n ASN 43 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3kqa s VAL 44 N -3.31 5.15 0.80 3.44 1.01 -0.49 -3.67 120.40 123.32 3kqa s VAL 44 Ca 0.49 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 62.97 3kqa s VAL 44 Cb -0.22 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.51 3kqa s VAL 44 CO 0.70 0.13 1.18 -2.16 0.00 0.00 0.00 175.10 174.96 3kqa s PRO 45 N 2.13 1.71 -0.70 2.72 0.04 -1.26 -4.76 135.00 134.89 3kqa s PRO 45 Ca 0.16 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 3kqa s PRO 45 Cb -0.16 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.77 3kqa s PRO 45 CO 0.10 -2.14 0.64 0.15 0.04 0.00 0.00 177.00 175.79 3kqa s LYS 46 N -4.22 3.32 0.11 4.56 1.02 -1.26 -4.86 119.74 118.40 3kqa s LYS 46 Ca 0.71 -2.14 0.01 0.00 0.02 0.00 0.00 55.97 54.57 3kqa s LYS 46 Cb -0.27 -4.36 -0.04 0.00 -0.52 0.00 0.00 37.83 32.64 3kqa s LYS 46 CO 0.51 -1.30 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.09 3kqa s LEU 47 N 0.78 2.33 0.19 3.17 1.43 -1.26 -4.90 118.68 120.42 3kqa s LEU 47 Ca 0.11 -1.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.01 3kqa s LEU 47 Cb -0.19 0.02 0.19 0.00 0.03 0.00 0.00 46.19 46.24 3kqa s LEU 47 CO -0.04 -0.54 1.68 0.50 0.23 0.00 0.00 176.35 178.18 3kqa h LYS 48 N 2.92 0.11 0.00 1.70 3.64 -1.86 -1.78 116.57 121.29 3kqa h LYS 48 Ca -0.35 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 3kqa h LYS 48 Cb 1.17 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3kqa h LYS 48 CO 0.64 0.07 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.27 3kqa h ASP 49 N 0.11 0.00 -0.24 4.20 3.32 -1.97 -0.10 116.42 121.74 3kqa h ASP 49 Ca 0.25 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3kqa h ASP 49 Cb 0.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3kqa h ASP 49 CO -0.42 0.18 -0.01 0.40 -1.72 0.00 0.00 179.24 177.67 3kqa h ILE 50 N 0.00 1.26 -0.49 0.35 1.08 -1.67 0.34 117.51 118.38 3kqa h ILE 50 Ca -0.00 -0.93 0.01 0.00 -0.39 0.00 0.00 64.86 63.55 3kqa h ILE 50 Cb 0.36 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 3kqa h ILE 50 CO 0.02 0.29 0.32 0.44 -0.69 0.00 0.00 178.15 178.54 3kqa h ASP 51 N 0.20 0.56 -0.61 1.72 3.32 -1.00 -0.28 116.42 120.33 3kqa h ASP 51 Ca 0.07 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3kqa h ASP 51 Cb 0.43 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3kqa h ASP 51 CO 0.01 0.40 0.20 0.74 -1.72 0.00 0.00 179.24 178.87 3kqa h THR 52 N 0.66 1.24 -0.54 0.35 2.02 -0.91 -2.39 112.91 113.34 3kqa h THR 52 Ca 0.18 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.45 3kqa h THR 52 Cb -0.07 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3kqa h THR 52 CO -0.05 0.32 0.00 0.74 0.37 0.00 0.00 175.52 176.90 3kqa h THR 53 N 0.94 1.26 -0.92 3.16 2.02 -0.12 -1.51 112.91 117.75 3kqa h THR 53 Ca 0.21 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 3kqa h THR 53 Cb 0.27 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 3kqa h THR 53 CO -0.01 0.39 0.57 0.24 0.37 0.00 0.00 175.52 177.09 3kqa h MET 54 N 0.83 1.23 -0.50 6.66 2.07 -0.75 0.17 114.93 124.64 3kqa h MET 54 Ca 0.15 -0.10 -0.07 0.00 -2.07 0.00 0.00 59.70 57.61 3kqa h MET 54 Cb 0.53 -0.26 -0.02 0.00 -1.87 0.00 0.00 31.60 29.98 3kqa h MET 54 CO 0.03 0.84 0.04 0.87 1.07 0.00 0.00 176.91 179.76 3kqa h LYS 55 N 1.26 0.86 0.08 1.72 1.57 -1.24 0.40 116.57 121.22 3kqa h LYS 55 Ca 0.33 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kqa h LYS 55 Cb -0.09 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3kqa h LYS 55 CO -0.07 0.88 -0.04 1.25 -0.57 0.00 0.00 179.45 180.90 3kqa h LEU 56 N 0.73 -0.09 -0.58 2.94 6.46 -0.46 -2.09 115.31 122.22 3kqa h LEU 56 Ca 0.15 -0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 3kqa h LEU 56 Cb 0.46 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 3kqa h LEU 56 CO 0.02 0.02 0.32 -0.07 -0.62 0.00 0.00 178.44 178.11 3kqa h LEU 57 N -0.20 0.47 -0.47 2.25 3.38 -0.47 -2.23 115.31 118.04 3kqa h LEU 57 Ca -0.01 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3kqa h LEU 57 Cb 0.17 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3kqa h LEU 57 CO 0.02 0.32 0.20 0.74 0.09 0.00 0.00 178.44 179.81 3kqa h THR 58 N 0.61 0.90 -0.06 0.22 2.02 -0.79 -0.73 112.91 115.08 3kqa h THR 58 Ca 0.25 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.31 3kqa h THR 58 Cb 0.13 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3kqa h THR 58 CO -0.16 0.07 0.11 -0.61 0.37 0.00 0.00 175.52 175.31 3kqa h GLN 59 N 0.40 0.00 -0.00 6.66 5.75 -0.76 0.92 115.11 128.08 3kqa h GLN 59 Ca 0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 3kqa h GLN 59 Cb 0.18 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3kqa h GLN 59 CO -0.19 0.00 -0.32 1.28 -2.65 0.00 0.00 178.83 176.95 3kqa n LEU 60 N -3.48 0.43 0.00 -2.39 4.77 -0.32 -4.75 117.00 111.25 3kqa n LEU 60 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3kqa n LEU 60 Cb 0.20 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3kqa n LEU 60 CO 0.23 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3kqa n GLY 61 N 1.46 1.31 3.81 -0.72 0.00 0.32 -1.30 105.19 110.07 3kqa n GLY 61 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3kqa n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 62 N -2.00 4.56 -0.24 2.61 2.01 -0.94 -3.76 115.64 117.88 3kqa s THR 62 Ca 0.00 1.31 -0.17 0.00 0.31 0.00 0.00 61.69 63.14 3kqa s THR 62 Cb 0.00 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 3kqa s THR 62 CO 0.00 0.24 0.47 -0.54 -0.69 0.00 0.00 174.62 174.10 3kqa s LYS 63 N -1.89 4.11 -0.04 4.92 1.02 0.74 -4.18 119.74 124.41 3kqa s LYS 63 Ca 0.42 0.27 0.02 0.00 0.02 0.00 0.00 55.97 56.71 3kqa s LYS 63 Cb -0.17 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.53 3kqa s LYS 63 CO 0.21 -0.24 -0.09 0.08 -0.92 0.00 0.00 175.35 174.39 3kqa s VAL 64 N 1.94 0.84 0.00 3.17 1.01 -1.26 -1.03 120.40 125.06 3kqa s VAL 64 Ca 0.20 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 3kqa s VAL 64 Cb -0.15 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3kqa s VAL 64 CO 0.09 0.27 0.32 -1.83 0.00 0.00 0.00 175.10 173.95 3kqa s GLU 65 N 0.38 0.73 0.25 2.72 -1.05 -0.67 -5.00 118.70 116.06 3kqa s GLU 65 Ca -0.07 -0.28 0.01 0.00 -0.15 0.00 0.00 54.97 54.48 3kqa s GLU 65 Cb -0.11 0.32 -0.03 0.00 -0.44 0.00 0.00 34.13 33.87 3kqa s GLU 65 CO 0.01 -0.22 0.22 -0.98 0.95 0.00 0.00 175.26 175.24 3kqa s ARG 66 N -1.74 1.44 0.00 -4.83 1.70 -1.26 0.14 118.95 114.40 3kqa s ARG 66 Ca -0.11 -1.74 0.00 0.00 -0.47 0.00 0.00 55.73 53.41 3kqa s ARG 66 Cb -0.04 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 3kqa s ARG 66 CO 0.02 -0.51 0.00 -0.40 -1.08 0.00 0.00 175.30 173.33 3kqa n ASP 67 N -0.75 0.00 0.04 -2.89 5.68 -1.26 -4.99 116.55 112.37 3kqa n ASP 67 Ca 0.04 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.44 3kqa n ASP 67 Cb 0.64 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.64 3kqa n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kqa n GLY 68 N 4.36 -1.25 3.82 6.12 0.00 -1.26 -5.16 105.19 111.81 3kqa n GLY 68 Ca 0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 3kqa n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kqa s SER 69 N -4.27 4.89 -0.13 1.61 0.01 -1.26 -1.40 113.70 113.15 3kqa s SER 69 Ca 0.02 -0.78 0.02 0.00 1.31 0.00 0.00 55.95 56.51 3kqa s SER 69 Cb 0.13 -0.64 0.01 0.00 0.21 0.00 0.00 66.02 65.74 3kqa s SER 69 CO 0.80 -0.52 -0.19 -0.69 0.41 0.00 0.00 173.24 173.05 3kqa s VAL 70 N -2.47 1.81 -0.25 3.43 1.01 0.96 -4.39 120.40 120.51 3kqa s VAL 70 Ca 0.44 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 3kqa s VAL 70 Cb -0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3kqa s VAL 70 CO 0.26 0.50 0.14 0.26 0.00 0.00 0.00 175.10 176.26 3kqa s TRP 71 N 0.99 3.23 -0.07 5.22 0.51 0.38 -1.00 118.94 128.21 3kqa s TRP 71 Ca -0.04 0.04 0.05 0.00 -2.12 0.00 0.00 56.10 54.02 3kqa s TRP 71 Cb -0.15 -2.28 -0.01 0.00 -0.81 0.00 0.00 33.47 30.22 3kqa s TRP 71 CO -0.04 -0.09 -0.21 0.42 -0.51 0.00 0.00 176.95 176.51 3kqa s ILE 72 N 1.36 2.37 -0.28 2.03 -1.09 0.25 -1.67 121.20 124.17 3kqa s ILE 72 Ca 0.07 -0.95 -0.01 0.00 -2.23 0.00 0.00 60.65 57.52 3kqa s ILE 72 Cb -0.15 -1.90 0.09 0.00 -1.58 0.00 0.00 42.46 38.93 3kqa s ILE 72 CO 0.06 0.57 0.08 -0.62 -1.23 0.00 0.00 174.94 173.80 3kqa s ASP 73 N -0.16 3.73 -0.23 3.58 3.68 -0.20 -0.31 116.67 126.75 3kqa s ASP 73 Ca -0.03 -1.40 0.14 0.00 2.13 0.00 0.00 52.55 53.39 3kqa s ASP 73 Cb -0.14 -0.79 0.61 0.00 -1.45 0.00 0.00 42.92 41.15 3kqa s ASP 73 CO 0.04 -0.38 1.55 0.00 0.13 0.00 0.00 175.17 176.51 3kqa n ALA 74 N 4.91 3.61 0.29 3.66 0.00 -1.26 -0.19 120.51 131.54 3kqa n ALA 74 Ca -0.04 -2.38 0.15 0.00 0.00 0.00 0.00 53.44 51.16 3kqa n ALA 74 Cb 0.43 -0.88 0.87 0.00 0.00 0.00 0.00 19.45 19.88 3kqa n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqa h SER 75 N 2.16 0.00 -0.20 0.00 4.64 -1.75 -3.06 113.55 115.34 3kqa h SER 75 Ca 0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3kqa h SER 75 Cb 1.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.80 3kqa h SER 75 CO 0.39 0.05 -0.05 0.59 -0.87 0.00 0.00 176.83 176.94 3kqa n ASN 76 N -3.66 3.03 -4.64 4.97 4.13 -1.26 -5.03 115.26 112.80 3kqa n ASN 76 Ca -0.02 -3.27 -0.50 0.00 1.68 0.00 0.00 54.58 52.47 3kqa n ASN 76 Cb 0.15 -0.54 -0.05 0.00 -1.54 0.00 0.00 39.78 37.80 3kqa n ASN 76 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3kqa n VAL 77 N -0.93 0.08 -1.27 2.41 0.31 -1.16 -4.81 118.33 112.96 3kqa n VAL 77 Ca 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 3kqa n VAL 77 Cb 0.85 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 3kqa n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3kqa n ASN 78 N 3.49 0.00 -3.99 4.52 2.04 -0.42 -4.99 115.26 115.91 3kqa n ASN 78 Ca 0.19 -1.10 -0.21 0.00 -0.44 0.00 0.00 54.58 53.02 3kqa n ASN 78 Cb 0.23 -0.02 -0.16 0.00 -2.53 0.00 0.00 39.78 37.30 3kqa n ASN 78 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 3kqa s ASN 79 N -0.10 1.28 -0.22 0.53 2.47 -0.60 -5.02 114.94 113.27 3kqa s ASN 79 Ca 0.00 -0.20 0.11 0.00 0.42 0.00 0.00 52.86 53.19 3kqa s ASN 79 Cb 0.00 -0.43 0.43 0.00 -1.45 0.00 0.00 41.25 39.81 3kqa s ASN 79 CO 0.00 0.05 1.28 0.49 -3.72 0.00 0.00 177.10 175.19 3kqa n PHE 80 N 3.48 0.28 -4.52 0.43 3.72 -1.26 -4.55 117.46 115.04 3kqa n PHE 80 Ca -0.20 -1.49 -0.29 0.00 -0.05 0.00 0.00 57.45 55.42 3kqa n PHE 80 Cb 0.53 -0.30 -0.17 0.00 -0.94 0.00 0.00 39.48 38.60 3kqa n PHE 80 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kqa s SER 81 N -3.03 2.52 -0.46 4.37 0.15 -1.26 -0.60 113.70 115.39 3kqa s SER 81 Ca 0.39 -0.45 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 3kqa s SER 81 Cb 0.37 -1.13 0.06 0.00 -1.71 0.00 0.00 66.02 63.61 3kqa s SER 81 CO -0.05 0.03 0.38 0.00 1.20 0.00 0.00 173.24 174.80 3kqa s ALA 82 N 0.93 3.55 0.65 5.45 0.00 0.39 -4.83 121.76 127.90 3kqa s ALA 82 Ca -0.07 -2.05 -0.14 0.00 0.00 0.00 0.00 51.96 49.69 3kqa s ALA 82 Cb -0.15 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3kqa s ALA 82 CO -0.01 -1.69 1.07 -1.25 0.00 0.00 0.00 175.76 173.89 3kqa s PRO 83 N 1.65 2.97 0.22 0.00 0.04 -1.26 -0.18 135.00 138.44 3kqa s PRO 83 Ca 0.04 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.17 3kqa s PRO 83 Cb -0.23 -1.99 0.32 0.00 0.04 0.00 0.00 34.50 32.64 3kqa s PRO 83 CO 0.07 -1.09 1.66 -0.92 0.04 0.00 0.00 177.00 176.77 3kqa h TYR 84 N -0.12 -0.02 -0.59 0.56 3.20 -1.96 -1.26 116.97 116.78 3kqa h TYR 84 Ca -0.46 0.05 0.14 0.00 3.14 0.00 0.00 58.73 61.60 3kqa h TYR 84 Cb 1.23 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 3kqa h TYR 84 CO 0.58 -0.16 0.41 0.38 -1.64 0.00 0.00 178.16 177.73 3kqa h ASP 85 N 0.13 0.18 0.32 -2.11 2.03 -2.01 -0.48 116.42 114.48 3kqa h ASP 85 Ca 0.34 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 3kqa h ASP 85 Cb 0.55 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 3kqa h ASP 85 CO -0.54 0.10 -1.24 0.18 -1.03 0.00 0.00 179.24 176.71 3kqa n LEU 86 N -4.43 0.54 -0.00 0.15 4.77 -0.53 -4.44 117.00 113.06 3kqa n LEU 86 Ca 0.11 -0.06 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 3kqa n LEU 86 Cb 0.52 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3kqa n LEU 86 CO 0.35 0.04 -0.02 1.33 -1.33 0.00 0.00 177.39 177.76 3kqa n VAL 87 N -2.02 0.00 -0.16 4.08 0.24 -0.87 -4.69 118.33 114.91 3kqa n VAL 87 Ca 0.01 -0.24 0.21 0.00 -2.04 0.00 0.00 64.34 62.28 3kqa n VAL 87 Cb 0.46 1.00 0.60 0.00 -1.47 0.00 0.00 33.84 34.43 3kqa n VAL 87 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3kqa h LYS 88 N 0.01 0.21 -0.10 7.34 2.10 -1.32 -1.06 116.57 123.76 3kqa h LYS 88 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3kqa h LYS 88 Cb 0.27 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 3kqa h LYS 88 CO 0.00 0.14 0.00 0.25 -2.00 0.00 0.00 179.45 177.84 3kqa n THR 89 N -4.42 0.10 -3.43 0.07 -2.24 -1.26 -4.83 114.28 98.28 3kqa n THR 89 Ca 0.16 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 3kqa n THR 89 Cb 0.71 0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 3kqa n THR 89 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3kqa s MET 90 N -1.90 0.27 0.39 -0.78 0.00 -0.40 -5.00 119.30 111.88 3kqa s MET 90 Ca 0.34 0.29 0.17 0.00 0.00 0.00 0.00 55.69 56.50 3kqa s MET 90 Cb 0.20 -0.86 0.81 0.00 0.00 0.00 0.00 34.83 34.98 3kqa s MET 90 CO 0.31 -0.69 1.82 0.00 0.00 0.00 0.00 175.02 176.45 3kqa h ARG 91 N 8.26 0.00 0.00 4.11 2.47 -1.88 -2.58 114.38 124.75 3kqa h ARG 91 Ca -0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 3kqa h ARG 91 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 3kqa h ARG 91 CO 0.28 0.35 0.08 0.00 0.56 0.00 0.00 179.97 181.24 3kqa n ALA 92 N -2.37 0.88 0.31 0.04 0.00 -1.26 -1.72 120.51 116.39 3kqa n ALA 92 Ca -0.01 0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.68 3kqa n ALA 92 Cb 0.43 -0.98 0.97 0.00 0.00 0.00 0.00 19.45 19.88 3kqa n ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqa h SER 93 N 0.00 0.00 0.34 0.00 4.64 -1.80 -0.53 113.55 116.19 3kqa h SER 93 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kqa h SER 93 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3kqa h SER 93 CO 0.00 0.00 -0.01 -0.29 -0.87 0.00 0.00 176.83 175.66 3kqa h ILE 94 N 0.00 0.05 0.00 0.95 6.09 -1.61 -2.06 117.51 120.93 3kqa h ILE 94 Ca 0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 3kqa h ILE 94 Cb 0.28 1.18 0.00 0.00 0.47 0.00 0.00 36.82 38.74 3kqa h ILE 94 CO 0.00 0.01 0.00 0.79 -3.07 0.00 0.00 178.15 175.88 3kqa n TRP 95 N -3.14 0.00 0.17 2.19 8.01 -0.21 -1.67 117.44 122.78 3kqa n TRP 95 Ca -0.02 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.27 3kqa n TRP 95 Cb 0.15 -0.32 0.09 0.00 -2.01 0.00 0.00 31.31 29.22 3kqa n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3kqa h ALA 96 N 2.38 0.80 0.29 6.99 0.00 -1.59 -3.38 119.26 124.75 3kqa h ALA 96 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kqa h ALA 96 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kqa h ALA 96 CO 0.00 0.17 -0.14 1.25 0.00 0.00 0.00 179.25 180.53 3kqa h LEU 97 N 0.00 -0.34 -0.22 0.00 5.85 -1.53 -2.87 115.31 116.20 3kqa h LEU 97 Ca -0.01 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.64 3kqa h LEU 97 Cb 1.11 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 3kqa h LEU 97 CO 0.01 -0.07 -0.10 1.23 -0.34 0.00 0.00 178.44 179.17 3kqa h GLY 98 N -0.60 0.10 0.82 3.75 0.00 -1.76 -1.42 103.07 103.96 3kqa h GLY 98 Ca -0.04 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.45 3kqa h GLY 98 CO 0.07 -0.12 0.33 -2.55 0.00 0.00 0.00 176.54 174.26 3kqa h PRO 99 N -0.07 0.62 -0.67 4.80 0.11 -1.76 0.22 132.00 135.25 3kqa h PRO 99 Ca 0.12 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 3kqa h PRO 99 Cb 0.25 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 3kqa h PRO 99 CO -0.27 0.41 0.17 -0.07 -0.21 0.00 0.00 178.00 178.03 3kqa h LEU 100 N 0.64 1.02 -0.21 2.35 3.38 -1.30 -1.39 115.31 119.79 3kqa h LEU 100 Ca 0.23 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3kqa h LEU 100 Cb 0.06 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3kqa h LEU 100 CO -0.12 0.98 -0.16 0.58 0.09 0.00 0.00 178.44 179.82 3kqa h VAL 101 N 1.00 1.32 -0.36 1.22 2.07 -0.88 0.88 116.25 121.51 3kqa h VAL 101 Ca 0.21 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 3kqa h VAL 101 Cb 0.36 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3kqa h VAL 101 CO 0.00 0.39 -0.06 0.00 0.02 0.00 0.00 177.57 177.93 3kqa h ALA 102 N 0.68 1.24 0.07 1.67 0.00 -0.43 -0.93 119.26 121.56 3kqa h ALA 102 Ca 0.04 -0.25 -0.36 0.00 0.00 0.00 0.00 54.91 54.34 3kqa h ALA 102 Cb 0.68 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3kqa h ALA 102 CO 0.04 0.50 -2.11 -2.13 0.00 0.00 0.00 179.25 175.55 3kqa n ARG 103 N -4.23 0.71 -0.00 0.00 0.63 -0.54 -4.63 116.66 108.61 3kqa n ARG 103 Ca 0.01 0.22 0.05 0.00 -0.92 0.00 0.00 57.85 57.21 3kqa n ARG 103 Cb 0.30 -1.66 -0.07 0.00 0.45 0.00 0.00 32.46 31.48 3kqa n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kqa n PHE 104 N -3.32 0.00 0.00 -0.14 3.01 0.28 -5.01 117.46 112.28 3kqa n PHE 104 Ca -0.34 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.12 3kqa n PHE 104 Cb 1.04 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 40.41 3kqa n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kqa n GLY 105 N 1.53 1.33 3.56 1.37 0.00 -0.35 -5.00 105.19 107.63 3kqa n GLY 105 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3kqa n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kqa s GLN 106 N -0.97 1.39 -0.17 1.61 1.03 -1.23 -1.41 119.66 119.91 3kqa s GLN 106 Ca 0.00 -0.61 -0.35 0.00 0.04 0.00 0.00 55.36 54.45 3kqa s GLN 106 Cb 0.00 0.57 0.14 0.00 0.03 0.00 0.00 33.01 33.75 3kqa s GLN 106 CO 0.00 -0.62 1.28 0.20 -2.54 0.00 0.00 175.29 173.61 3kqa s GLY 107 N -2.78 -0.31 -0.19 2.60 0.00 -0.71 -3.89 107.32 102.03 3kqa s GLY 107 Ca 0.04 1.42 -0.15 0.00 0.00 0.00 0.00 44.72 46.04 3kqa s GLY 107 CO -0.07 0.44 0.48 -0.86 0.00 0.00 0.00 173.10 173.09 3kqa s GLN 108 N -2.32 0.53 -0.11 2.90 -2.07 0.23 -0.73 119.66 118.08 3kqa s GLN 108 Ca 0.11 0.75 0.03 0.00 -1.82 0.00 0.00 55.36 54.43 3kqa s GLN 108 Cb 0.01 0.18 0.01 0.00 -1.09 0.00 0.00 33.01 32.11 3kqa s GLN 108 CO -0.04 -0.10 -0.18 0.08 -1.32 0.00 0.00 175.29 173.73 3kqa s VAL 109 N 0.71 1.69 0.30 3.63 1.01 -0.87 -0.46 120.40 126.40 3kqa s VAL 109 Ca -0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 3kqa s VAL 109 Cb -0.05 -1.50 -0.13 0.00 0.00 0.00 0.00 36.38 34.70 3kqa s VAL 109 CO -0.05 0.48 1.34 -0.24 0.00 0.00 0.00 175.10 176.63 3kqa n SER 110 N 3.94 2.78 -3.84 3.32 2.88 0.75 -1.52 113.62 121.93 3kqa n SER 110 Ca -0.20 1.18 -0.29 0.00 -1.33 0.00 0.00 58.87 58.23 3kqa n SER 110 Cb 0.52 -1.46 -0.16 0.00 -0.75 0.00 0.00 64.21 62.35 3kqa n SER 110 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3kqa s LEU 111 N -0.52 1.77 0.09 2.46 0.20 0.24 -4.84 118.68 118.08 3kqa s LEU 111 Ca 0.61 -0.92 -0.30 0.00 0.69 0.00 0.00 54.13 54.21 3kqa s LEU 111 Cb -0.60 -0.87 -0.06 0.00 -0.43 0.00 0.00 46.19 44.24 3kqa s LEU 111 CO 0.57 -0.26 1.08 -2.16 -0.29 0.00 0.00 176.35 175.29 3kqa s PRO 112 N 1.65 4.56 0.00 0.98 0.04 -1.26 -3.16 135.00 137.80 3kqa s PRO 112 Ca -0.02 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3kqa s PRO 112 Cb -0.17 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.01 3kqa s PRO 112 CO -0.07 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.35 3kqa n GLY 113 N 2.61 1.39 5.31 0.56 0.00 -1.26 -5.19 105.19 108.60 3kqa n GLY 113 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kqa n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 114 N -0.41 -0.03 0.00 -0.02 0.00 -1.19 -5.13 105.19 98.41 3kqa n GLY 114 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3kqa n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa n ALA 116 N 0.51 0.00 0.14 4.61 0.00 -1.26 -5.10 120.51 119.42 3kqa n ALA 116 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3kqa n ALA 116 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 3kqa n ALA 116 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3kqa h ILE 117 N 0.61 1.29 -4.22 0.00 2.10 -2.07 -3.46 117.51 111.76 3kqa h ILE 117 Ca 0.00 -2.73 -0.52 0.00 1.08 0.00 0.00 64.86 62.69 3kqa h ILE 117 Cb 0.00 3.02 0.13 0.00 -1.09 0.00 0.00 36.82 38.88 3kqa h ILE 117 CO 0.00 0.82 0.36 -0.83 -1.08 0.00 0.00 178.15 177.42 3kqa s GLY 118 N -4.64 2.10 0.38 8.18 0.00 -1.26 -4.98 107.32 107.10 3kqa s GLY 118 Ca -0.09 0.59 -0.27 0.00 0.00 0.00 0.00 44.72 44.96 3kqa s GLY 118 CO 0.94 0.96 1.28 0.00 0.00 0.00 0.00 173.10 176.28 3kqa s ALA 119 N -2.36 3.32 0.11 3.20 0.00 -1.26 -5.04 121.76 119.73 3kqa s ALA 119 Ca 0.68 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.80 3kqa s ALA 119 Cb -0.22 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 3kqa s ALA 119 CO 0.46 -0.71 0.09 1.03 0.00 0.00 0.00 175.76 176.63 3kqa s ARG 120 N -2.09 0.86 0.23 0.00 0.52 -1.26 -5.06 118.95 112.14 3kqa s ARG 120 Ca 0.54 -1.25 -0.06 0.00 -0.52 0.00 0.00 55.73 54.44 3kqa s ARG 120 Cb -0.37 0.27 0.39 0.00 0.52 0.00 0.00 34.95 35.76 3kqa s ARG 120 CO 0.48 -0.25 1.74 -1.35 0.02 0.00 0.00 175.30 175.95 3kqa h PRO 121 N 2.87 0.43 -0.58 3.54 0.11 -2.04 -1.94 132.00 134.39 3kqa h PRO 121 Ca -0.34 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.84 3kqa h PRO 121 Cb 1.19 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3kqa h PRO 121 CO 0.59 0.29 0.39 0.28 -0.21 0.00 0.00 178.00 179.33 3kqa h VAL 122 N 0.45 0.91 -0.42 3.15 2.07 -2.00 -2.95 116.25 117.45 3kqa h VAL 122 Ca 0.37 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.80 3kqa h VAL 122 Cb 0.52 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3kqa h VAL 122 CO -0.36 0.07 0.28 0.44 0.02 0.00 0.00 177.57 178.02 3kqa h ASP 123 N 0.41 0.33 0.10 0.57 3.32 -1.77 -1.66 116.42 117.72 3kqa h ASP 123 Ca 0.27 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 3kqa h ASP 123 Cb 0.51 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3kqa h ASP 123 CO -0.07 0.23 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.34 3kqa h LEU 124 N 0.38 0.27 -0.20 1.55 3.38 -1.68 0.34 115.31 119.35 3kqa h LEU 124 Ca 0.18 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3kqa h LEU 124 Cb 0.22 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kqa h LEU 124 CO -0.04 0.54 -0.27 0.45 0.09 0.00 0.00 178.44 179.22 3kqa h HIS 125 N 0.25 0.66 -0.33 1.13 3.86 -1.49 -2.26 115.15 116.97 3kqa h HIS 125 Ca 0.04 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.02 3kqa h HIS 125 Cb 0.61 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3kqa h HIS 125 CO 0.01 0.92 0.13 0.82 0.86 0.00 0.00 177.93 180.67 3kqa h ILE 126 N 0.21 1.18 -0.67 2.45 2.04 -0.98 -2.37 117.51 119.38 3kqa h ILE 126 Ca 0.02 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 3kqa h ILE 126 Cb 0.83 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3kqa h ILE 126 CO 0.06 0.20 0.28 -0.26 0.00 0.00 0.00 178.15 178.43 3kqa h PHE 127 N 0.38 0.98 -0.36 1.37 0.04 -0.29 -1.38 116.94 117.68 3kqa h PHE 127 Ca 0.11 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.72 3kqa h PHE 127 Cb 0.18 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 3kqa h PHE 127 CO -0.00 0.74 -0.22 0.78 -0.60 0.00 0.00 178.31 179.00 3kqa h GLY 128 N 1.04 0.76 2.00 -1.45 0.00 -1.29 -1.43 103.07 102.71 3kqa h GLY 128 Ca 0.23 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3kqa h GLY 128 CO -0.02 0.58 -0.43 1.41 0.00 0.00 0.00 176.54 178.08 3kqa h LEU 129 N 0.62 0.00 -0.14 3.11 3.38 -0.85 -2.56 115.31 118.87 3kqa h LEU 129 Ca 0.09 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.83 3kqa h LEU 129 Cb 0.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 3kqa h LEU 129 CO 0.05 0.43 -0.80 -0.33 0.09 0.00 0.00 178.44 177.89 3kqa h GLU 130 N 0.00 0.79 -0.27 1.13 5.08 -0.94 0.54 114.58 120.91 3kqa h GLU 130 Ca -0.00 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 3kqa h GLU 130 Cb 0.93 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3kqa h GLU 130 CO 0.06 1.26 0.17 -0.22 -1.00 0.00 0.00 179.01 179.28 3kqa h LYS 131 N 0.52 0.35 -0.07 2.33 3.11 -1.11 0.10 116.57 121.80 3kqa h LYS 131 Ca -0.06 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 3kqa h LYS 131 Cb 1.43 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.58 3kqa h LYS 131 CO 0.16 0.23 0.00 1.28 -2.81 0.00 0.00 179.45 178.32 3kqa n LEU 132 N -4.49 0.62 0.00 5.20 4.77 -0.98 -4.71 117.00 117.41 3kqa n LEU 132 Ca 0.01 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3kqa n LEU 132 Cb 0.07 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3kqa n LEU 132 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3kqa n GLY 133 N 0.87 0.88 3.92 -0.72 0.00 0.35 -0.71 105.19 109.79 3kqa n GLY 133 Ca 0.13 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3kqa n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 134 N -2.00 3.50 -0.22 4.61 0.00 0.16 -4.73 121.76 123.08 3kqa s ALA 134 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 3kqa s ALA 134 Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 3kqa s ALA 134 CO 0.00 -0.21 0.04 -1.21 0.00 0.00 0.00 175.76 174.38 3kqa s GLU 135 N -4.52 3.71 0.04 0.00 2.02 0.10 -4.37 118.70 115.68 3kqa s GLU 135 Ca 0.45 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 55.03 3kqa s GLU 135 Cb -0.10 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 3kqa s GLU 135 CO 0.41 -0.01 -0.16 0.42 0.02 0.00 0.00 175.26 175.94 3kqa s ILE 136 N 1.11 1.25 0.10 -1.63 1.01 -1.26 -1.92 121.20 119.86 3kqa s ILE 136 Ca 0.04 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 3kqa s ILE 136 Cb -0.14 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.24 3kqa s ILE 136 CO 0.03 0.07 0.36 -1.59 0.00 0.00 0.00 174.94 173.81 3kqa s LYS 137 N -1.09 0.99 -0.17 2.79 -2.85 -0.84 -5.01 119.74 113.55 3kqa s LYS 137 Ca 0.03 -0.68 -0.03 0.00 -1.00 0.00 0.00 55.97 54.30 3kqa s LYS 137 Cb -0.08 0.43 -0.02 0.00 -2.06 0.00 0.00 37.83 36.10 3kqa s LYS 137 CO 0.01 -0.36 -0.06 -0.51 0.10 0.00 0.00 175.35 174.53 3kqa s LEU 138 N -2.62 3.00 -0.21 2.77 1.02 -1.26 -0.51 118.68 120.88 3kqa s LEU 138 Ca 0.01 -0.27 -0.27 0.00 0.02 0.00 0.00 54.13 53.62 3kqa s LEU 138 Cb 0.02 -1.73 0.08 0.00 0.02 0.00 0.00 46.19 44.57 3kqa s LEU 138 CO -0.10 0.10 0.75 -1.83 0.02 0.00 0.00 176.35 175.29 3kqa s GLU 139 N 0.79 0.86 -1.81 1.70 -1.05 -0.32 -4.93 118.70 113.93 3kqa s GLU 139 Ca -0.02 0.72 0.00 0.00 -0.15 0.00 0.00 54.97 55.52 3kqa s GLU 139 Cb -0.15 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3kqa s GLU 139 CO 0.02 -0.16 0.00 0.39 0.95 0.00 0.00 175.26 176.45 3kqa n GLU 140 N 2.06 -1.37 -0.69 -4.83 1.02 -1.26 -1.41 120.64 114.16 3kqa n GLU 140 Ca -0.15 1.05 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 3kqa n GLU 140 Cb 0.56 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.54 3kqa n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kqa n GLY 141 N -0.83 0.83 3.54 0.62 0.00 -1.26 -5.01 105.19 103.08 3kqa n GLY 141 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3kqa n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqa s TYR 142 N -3.24 2.72 -0.23 1.61 1.51 -0.50 0.79 117.35 120.01 3kqa s TYR 142 Ca 0.00 -0.16 -0.19 0.00 -1.01 0.00 0.00 57.07 55.71 3kqa s TYR 142 Cb 0.00 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 3kqa s TYR 142 CO 0.00 0.36 0.56 0.54 -1.11 0.00 0.00 175.55 175.90 3kqa s VAL 143 N -1.06 5.06 -0.18 0.71 0.11 -0.58 -1.17 120.40 123.28 3kqa s VAL 143 Ca 0.18 1.01 -0.02 0.00 -2.93 0.00 0.00 61.98 60.22 3kqa s VAL 143 Cb -0.11 -3.87 -0.01 0.00 -1.53 0.00 0.00 36.38 30.86 3kqa s VAL 143 CO 0.09 0.11 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.33 3kqa s LYS 144 N 2.06 3.33 0.12 1.54 1.02 0.34 -2.05 119.74 126.09 3kqa s LYS 144 Ca 0.24 -0.67 0.10 0.00 0.02 0.00 0.00 55.97 55.66 3kqa s LYS 144 Cb -0.16 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 3kqa s LYS 144 CO 0.09 -0.05 -0.24 0.00 -0.92 0.00 0.00 175.35 174.23 3kqa s ALA 145 N 1.04 2.47 0.18 5.17 0.00 0.09 -1.99 121.76 128.72 3kqa s ALA 145 Ca -0.00 -1.42 -0.23 0.00 0.00 0.00 0.00 51.96 50.31 3kqa s ALA 145 Cb -0.15 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.56 3kqa s ALA 145 CO -0.02 0.56 0.63 -1.54 0.00 0.00 0.00 175.76 175.39 3kqa s SER 146 N -2.03 -0.51 -0.15 0.00 1.04 -0.81 -1.73 113.70 109.51 3kqa s SER 146 Ca 0.15 -0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.35 3kqa s SER 146 Cb -0.10 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.68 3kqa s SER 146 CO 0.07 -1.02 0.40 0.54 0.98 0.00 0.00 173.24 174.21 3kqa s VAL 147 N -3.76 -0.01 -0.39 5.02 0.11 -0.50 0.00 120.40 120.88 3kqa s VAL 147 Ca 0.03 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.83 3kqa s VAL 147 Cb -0.02 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 3kqa s VAL 147 CO -0.09 0.01 0.98 0.20 -3.33 0.00 0.00 175.10 172.87 3kqa s ASN 148 N 0.47 6.69 0.00 3.54 0.02 -1.26 -4.79 114.94 119.61 3kqa s ASN 148 Ca -0.02 0.58 0.00 0.00 -1.02 0.00 0.00 52.86 52.40 3kqa s ASN 148 Cb -0.04 -2.49 0.00 0.00 0.02 0.00 0.00 41.25 38.74 3kqa s ASN 148 CO -0.02 -0.95 0.00 0.61 0.02 0.00 0.00 177.10 176.76 3kqa n GLY 149 N 4.44 -0.30 3.93 0.66 0.00 -1.26 -4.88 105.19 107.78 3kqa n GLY 149 Ca 0.09 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 3kqa n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kqa s ARG 150 N 0.00 3.34 0.84 1.61 3.52 -1.26 -4.83 118.95 122.17 3kqa s ARG 150 Ca 0.00 -0.18 -0.11 0.00 -0.13 0.00 0.00 55.73 55.31 3kqa s ARG 150 Cb 0.00 -2.51 0.10 0.00 -1.56 0.00 0.00 34.95 30.98 3kqa s ARG 150 CO 0.00 -0.15 1.09 -0.51 -0.81 0.00 0.00 175.30 174.92 3kqa s LEU 151 N -4.58 2.62 -0.08 -0.88 1.43 -1.26 -4.84 118.68 111.09 3kqa s LEU 151 Ca 0.46 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 55.28 3kqa s LEU 151 Cb -0.10 -4.21 -0.01 0.00 0.03 0.00 0.00 46.19 41.90 3kqa s LEU 151 CO 0.40 -2.41 -0.24 -0.54 0.23 0.00 0.00 176.35 173.80 3kqa s LYS 152 N -4.90 2.74 0.59 1.70 3.01 0.11 -0.42 119.74 122.57 3kqa s LYS 152 Ca 0.63 -0.87 -0.20 0.00 -1.01 0.00 0.00 55.97 54.52 3kqa s LYS 152 Cb -0.18 -2.19 -0.04 0.00 -1.01 0.00 0.00 37.83 34.41 3kqa s LYS 152 CO 0.57 0.28 1.17 0.41 0.51 0.00 0.00 175.35 178.28 3kqa n GLY 153 N 3.23 0.24 3.48 -3.33 0.00 0.10 -4.50 105.19 104.41 3kqa n GLY 153 Ca -0.18 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 3kqa n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 154 N -1.40 -0.47 -0.37 4.61 0.00 -1.09 -4.82 121.76 118.22 3kqa s ALA 154 Ca 0.76 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.96 3kqa s ALA 154 Cb -0.41 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.61 3kqa s ALA 154 CO 0.46 -0.77 0.41 -1.58 0.00 0.00 0.00 175.76 174.29 3kqa s HIS 155 N -3.94 3.19 -0.16 0.00 2.46 -1.26 -1.58 115.29 114.00 3kqa s HIS 155 Ca 0.15 -0.13 -0.02 0.00 0.47 0.00 0.00 55.06 55.53 3kqa s HIS 155 Cb 0.00 -2.79 -0.02 0.00 -0.13 0.00 0.00 32.58 29.64 3kqa s HIS 155 CO 0.01 -0.55 -0.08 0.42 -2.47 0.00 0.00 174.74 172.06 3kqa s ILE 156 N 2.12 3.39 -0.27 0.89 1.01 0.10 -4.95 121.20 123.49 3kqa s ILE 156 Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 3kqa s ILE 156 Cb -0.17 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.85 3kqa s ILE 156 CO 0.13 0.49 0.01 -0.69 0.00 0.00 0.00 174.94 174.88 3kqa s VAL 157 N 0.58 3.44 -0.22 2.92 1.01 -1.26 -0.20 120.40 126.67 3kqa s VAL 157 Ca -0.05 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 3kqa s VAL 157 Cb -0.15 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 3kqa s VAL 157 CO 0.03 0.15 0.82 -0.32 0.00 0.00 0.00 175.10 175.78 3kqa s MET 158 N 1.42 4.21 0.08 2.72 1.75 -0.78 -4.95 119.30 123.75 3kqa s MET 158 Ca 0.02 0.95 -0.18 0.00 -1.25 0.00 0.00 55.69 55.22 3kqa s MET 158 Cb -0.17 -3.62 -0.09 0.00 2.84 0.00 0.00 34.83 33.78 3kqa s MET 158 CO -0.01 -0.46 1.47 0.38 -0.65 0.00 0.00 175.02 175.75 3kqa h ASP 159 N 7.58 0.46 -4.33 1.11 3.04 -1.91 -3.44 116.42 118.94 3kqa h ASP 159 Ca -0.25 -0.37 -0.55 0.00 -3.24 0.00 0.00 57.03 52.63 3kqa h ASP 159 Cb 1.10 -0.13 -0.29 0.00 -1.04 0.00 0.00 39.33 38.98 3kqa h ASP 159 CO 0.86 0.72 -0.83 -0.54 -2.04 0.00 0.00 179.24 177.41 3kqa s LYS 160 N -4.76 1.42 0.09 4.15 1.02 -1.26 -5.10 119.74 115.30 3kqa s LYS 160 Ca -0.14 -0.66 -0.31 0.00 0.02 0.00 0.00 55.97 54.89 3kqa s LYS 160 Cb 0.07 -1.38 -0.10 0.00 -0.52 0.00 0.00 37.83 35.90 3kqa s LYS 160 CO 0.76 0.38 1.83 0.08 -0.92 0.00 0.00 175.35 177.47 3kqa s VAL 161 N -0.45 2.76 -0.15 3.17 1.01 -1.26 -4.98 120.40 120.50 3kqa s VAL 161 Ca 0.07 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3kqa s VAL 161 Cb -0.07 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.29 3kqa s VAL 161 CO -0.00 -0.00 0.12 -0.55 0.00 0.00 0.00 175.10 174.66 3kqa s SER 162 N 3.10 1.81 0.15 3.32 0.15 -1.26 -4.99 113.70 115.98 3kqa s SER 162 Ca 0.81 -0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.97 3kqa s SER 162 Cb -0.44 -0.05 0.03 0.00 -1.71 0.00 0.00 66.02 63.85 3kqa s SER 162 CO 0.37 -0.32 1.75 0.58 1.20 0.00 0.00 173.24 176.81 3kqa h VAL 163 N 6.40 1.17 0.45 4.45 2.07 -1.94 -0.18 116.25 128.66 3kqa h VAL 163 Ca -0.15 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3kqa h VAL 163 Cb 1.14 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3kqa h VAL 163 CO 0.25 0.18 -0.40 1.23 0.02 0.00 0.00 177.57 178.86 3kqa h GLY 164 N 0.60 -0.98 1.81 2.17 0.00 -2.00 -2.08 103.07 102.59 3kqa h GLY 164 Ca 0.16 0.46 -0.09 0.00 0.00 0.00 0.00 47.33 47.86 3kqa h GLY 164 CO -0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 176.54 175.86 3kqa h ALA 165 N -0.51 1.25 -0.61 3.60 0.00 -1.87 -2.31 119.26 118.80 3kqa h ALA 165 Ca -0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3kqa h ALA 165 Cb 0.75 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3kqa h ALA 165 CO -0.03 0.51 0.23 1.15 0.00 0.00 0.00 179.25 181.11 3kqa h THR 166 N 0.20 1.22 -0.18 0.00 2.02 -0.85 -0.46 112.91 114.86 3kqa h THR 166 Ca 0.03 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 3kqa h THR 166 Cb 0.67 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3kqa h THR 166 CO 0.05 0.28 -0.11 0.58 0.37 0.00 0.00 175.52 176.69 3kqa h VAL 167 N 0.89 1.32 -0.33 3.16 2.07 -1.04 -0.61 116.25 121.71 3kqa h VAL 167 Ca 0.21 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3kqa h VAL 167 Cb 0.20 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3kqa h VAL 167 CO -0.02 0.36 0.18 0.74 0.02 0.00 0.00 177.57 178.85 3kqa h THR 168 N 0.07 1.02 0.06 2.57 2.02 -1.14 0.14 112.91 117.66 3kqa h THR 168 Ca 0.04 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3kqa h THR 168 Cb 0.60 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3kqa h THR 168 CO 0.03 0.07 -0.03 0.40 0.37 0.00 0.00 175.52 176.36 3kqa h ILE 169 N 0.37 1.20 -0.52 3.11 2.04 -1.08 -2.11 117.51 120.52 3kqa h ILE 169 Ca 0.13 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3kqa h ILE 169 Cb 0.02 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3kqa h ILE 169 CO -0.07 0.24 0.29 -0.03 0.00 0.00 0.00 178.15 178.57 3kqa h MET 170 N -0.54 0.54 0.21 2.37 4.05 -1.07 -0.14 114.93 120.36 3kqa h MET 170 Ca -0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3kqa h MET 170 Cb 0.46 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 3kqa h MET 170 CO 0.01 0.36 -0.10 0.77 0.23 0.00 0.00 176.91 178.18 3kqa h SER 171 N 0.56 -0.24 -0.11 1.39 0.02 -0.99 -2.94 113.55 111.23 3kqa h SER 171 Ca 0.22 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3kqa h SER 171 Cb 0.09 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3kqa h SER 171 CO -0.13 -0.08 -0.07 0.00 -1.14 0.00 0.00 176.83 175.41 3kqa h ALA 172 N 0.39 1.42 -0.01 3.77 0.00 -1.32 -2.99 119.26 120.53 3kqa h ALA 172 Ca -0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3kqa h ALA 172 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kqa h ALA 172 CO 0.05 0.40 -0.26 0.00 0.00 0.00 0.00 179.25 179.44 3kqa h ALA 173 N 1.56 1.56 -0.05 0.00 0.00 -0.87 -3.01 119.26 118.44 3kqa h ALA 173 Ca 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kqa h ALA 173 Cb 0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kqa h ALA 173 CO 0.02 0.33 0.23 1.79 0.00 0.00 0.00 179.25 181.63 3kqa h THR 174 N 0.01 0.09 -0.21 0.00 1.35 -1.36 -1.19 112.91 111.60 3kqa h THR 174 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3kqa h THR 174 Cb 0.47 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3kqa h THR 174 CO 0.03 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.48 3kqa n LEU 175 N -3.12 2.55 -4.91 3.87 4.77 -1.14 -1.11 117.00 117.92 3kqa n LEU 175 Ca -0.01 -1.98 -0.28 0.00 -0.03 0.00 0.00 56.01 53.71 3kqa n LEU 175 Cb 0.31 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3kqa n LEU 175 CO 0.18 0.64 0.66 0.00 -1.33 0.00 0.00 177.39 177.53 3kqa s ALA 176 N -0.99 3.05 -0.22 -1.18 0.00 -0.45 -4.54 121.76 117.43 3kqa s ALA 176 Ca 0.14 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.21 3kqa s ALA 176 Cb 0.07 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 3kqa s ALA 176 CO 0.10 -1.16 0.82 -1.21 0.00 0.00 0.00 175.76 174.30 3kqa s GLU 177 N -5.25 4.21 0.51 0.00 2.02 0.44 -3.92 118.70 116.71 3kqa s GLU 177 Ca 0.58 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.51 3kqa s GLU 177 Cb -0.11 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.50 3kqa s GLU 177 CO 0.47 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.71 3kqa n GLY 178 N 3.69 -1.82 3.82 -1.39 0.00 -1.26 0.02 105.19 108.25 3kqa n GLY 178 Ca 0.05 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 3kqa n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 179 N 0.00 5.01 -0.06 2.61 2.01 -1.26 -1.46 115.64 122.49 3kqa s THR 179 Ca 0.00 0.89 0.06 0.00 0.31 0.00 0.00 61.69 62.95 3kqa s THR 179 Cb 0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 3kqa s THR 179 CO 0.00 0.55 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.35 3kqa s THR 180 N -0.92 2.02 -0.12 -0.82 2.01 0.44 -2.65 115.64 115.59 3kqa s THR 180 Ca 0.24 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 61.21 3kqa s THR 180 Cb -0.17 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.65 3kqa s THR 180 CO 0.14 0.56 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.83 3kqa s ILE 181 N -0.16 1.65 -0.38 1.82 1.01 -0.61 -0.50 121.20 124.02 3kqa s ILE 181 Ca -0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 3kqa s ILE 181 Cb -0.14 -1.50 0.04 0.00 0.01 0.00 0.00 42.46 40.88 3kqa s ILE 181 CO 0.04 0.47 0.21 -0.63 0.00 0.00 0.00 174.94 175.03 3kqa s ILE 182 N 1.04 4.42 0.14 2.92 1.01 0.13 0.03 121.20 130.89 3kqa s ILE 182 Ca -0.04 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 3kqa s ILE 182 Cb -0.15 -3.53 -0.07 0.00 0.01 0.00 0.00 42.46 38.73 3kqa s ILE 182 CO -0.04 -0.30 0.55 -1.61 0.00 0.00 0.00 174.94 173.55 3kqa s GLU 183 N 1.51 4.01 -1.22 2.79 0.41 0.72 -1.81 118.70 125.12 3kqa s GLU 183 Ca 0.02 0.53 -0.07 0.00 -0.41 0.00 0.00 54.97 55.04 3kqa s GLU 183 Cb -0.20 -2.97 0.01 0.00 -1.78 0.00 0.00 34.13 29.18 3kqa s GLU 183 CO 0.05 0.50 1.06 -1.71 -0.49 0.00 0.00 175.26 174.67 3kqa n ASN 184 N 0.93 -5.37 -4.78 -0.19 4.05 0.39 -1.87 115.26 108.41 3kqa n ASN 184 Ca -0.06 -0.51 -0.33 0.00 0.45 0.00 0.00 54.58 54.13 3kqa n ASN 184 Cb 0.52 -4.67 0.03 0.00 1.23 0.00 0.00 39.78 36.88 3kqa n ASN 184 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3kqa s ALA 185 N -3.30 2.58 0.36 5.20 0.00 0.26 -4.53 121.76 122.33 3kqa s ALA 185 Ca 0.45 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 3kqa s ALA 185 Cb -0.20 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 3kqa s ALA 185 CO 0.67 -1.05 1.30 0.00 0.00 0.00 0.00 175.76 176.68 3kqa s ALA 186 N -2.23 3.40 -1.59 0.00 0.00 -1.26 -4.66 121.76 115.42 3kqa s ALA 186 Ca 0.68 1.24 0.15 0.00 0.00 0.00 0.00 51.96 54.02 3kqa s ALA 186 Cb -0.20 -3.48 0.24 0.00 0.00 0.00 0.00 23.12 19.68 3kqa s ALA 186 CO 0.37 -0.70 1.13 0.54 0.00 0.00 0.00 175.76 177.09 3kqa n ARG 187 N 0.54 1.81 -1.58 0.00 1.74 -1.26 -4.70 116.66 113.21 3kqa n ARG 187 Ca 0.01 -1.75 -0.40 0.00 -0.77 0.00 0.00 57.85 54.95 3kqa n ARG 187 Cb 0.43 -1.32 0.02 0.00 -1.02 0.00 0.00 32.46 30.57 3kqa n ARG 187 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kqa n GLU 188 N 0.84 1.08 -0.09 5.56 4.71 -1.26 -4.53 120.64 126.96 3kqa n GLU 188 Ca 0.12 0.40 0.20 0.00 -0.01 0.00 0.00 57.16 57.87 3kqa n GLU 188 Cb 0.42 -1.99 0.64 0.00 -1.01 0.00 0.00 31.44 29.50 3kqa n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3kqa h PRO 189 N 1.08 0.13 0.00 3.49 0.11 -1.96 0.26 132.00 135.12 3kqa h PRO 189 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3kqa h PRO 189 Cb 1.36 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3kqa h PRO 189 CO 0.54 0.09 -0.29 0.93 -0.21 0.00 0.00 178.00 179.05 3kqa h GLU 190 N 0.14 0.00 -0.05 1.05 3.07 -1.89 -0.82 114.58 116.08 3kqa h GLU 190 Ca 0.33 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.16 3kqa h GLU 190 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3kqa h GLU 190 CO -0.05 0.29 -0.09 0.82 -1.40 0.00 0.00 179.01 178.58 3kqa h ILE 191 N 0.00 1.43 -0.75 3.13 1.08 -0.81 -2.18 117.51 119.41 3kqa h ILE 191 Ca -0.00 -1.40 0.04 0.00 -0.39 0.00 0.00 64.86 63.10 3kqa h ILE 191 Cb 0.70 2.25 -0.05 0.00 -3.07 0.00 0.00 36.82 36.65 3kqa h ILE 191 CO 0.04 0.38 0.46 0.58 -0.69 0.00 0.00 178.15 178.92 3kqa h VAL 192 N -0.36 1.08 -0.43 1.67 2.07 -1.29 0.97 116.25 119.95 3kqa h VAL 192 Ca 0.00 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 3kqa h VAL 192 Cb 0.67 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3kqa h VAL 192 CO 0.02 0.16 -0.14 -0.78 0.02 0.00 0.00 177.57 176.85 3kqa h ASP 193 N 0.89 0.80 0.03 0.57 3.58 -1.14 -0.31 116.42 120.83 3kqa h ASP 193 Ca 0.31 -0.25 -0.15 0.00 0.42 0.00 0.00 57.03 57.35 3kqa h ASP 193 Cb 0.06 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3kqa h ASP 193 CO -0.13 0.95 -0.50 0.74 -2.88 0.00 0.00 179.24 177.42 3kqa h THR 194 N 0.72 1.32 -0.36 2.25 2.02 -0.81 -1.51 112.91 116.53 3kqa h THR 194 Ca 0.11 -1.72 -0.11 0.00 0.77 0.00 0.00 66.41 65.47 3kqa h THR 194 Cb 0.64 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 3kqa h THR 194 CO 0.04 0.53 -0.21 0.00 0.37 0.00 0.00 175.52 176.26 3kqa h ALA 195 N 1.04 0.50 -0.26 6.16 0.00 -0.47 -2.15 119.26 124.08 3kqa h ALA 195 Ca 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3kqa h ALA 195 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3kqa h ALA 195 CO 0.09 0.46 -0.13 -0.91 0.00 0.00 0.00 179.25 178.76 3kqa h ASN 196 N 0.55 0.42 -0.35 0.00 2.35 -0.93 -0.54 115.58 117.08 3kqa h ASN 196 Ca 0.07 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3kqa h ASN 196 Cb 0.76 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 3kqa h ASN 196 CO 0.06 0.58 0.08 0.15 -1.65 0.00 0.00 177.43 176.65 3kqa h PHE 197 N 0.40 0.60 -0.81 1.19 3.57 -1.13 0.10 116.94 120.87 3kqa h PHE 197 Ca 0.08 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3kqa h PHE 197 Cb 0.48 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 3kqa h PHE 197 CO 0.01 0.61 0.41 -0.07 -2.23 0.00 0.00 178.31 177.05 3kqa h LEU 198 N 0.42 1.04 -0.95 0.59 3.38 -0.90 -1.66 115.31 117.24 3kqa h LEU 198 Ca 0.11 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3kqa h LEU 198 Cb 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3kqa h LEU 198 CO 0.00 0.87 0.02 0.58 0.09 0.00 0.00 178.44 180.00 3kqa h VAL 199 N 1.14 1.24 0.00 1.22 2.07 -0.79 -0.45 116.25 120.68 3kqa h VAL 199 Ca 0.28 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3kqa h VAL 199 Cb 0.09 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3kqa h VAL 199 CO -0.04 0.34 -0.11 0.00 0.02 0.00 0.00 177.57 177.78 3kqa h ALA 200 N 1.28 1.40 -0.04 1.67 0.00 0.09 -0.53 119.26 123.13 3kqa h ALA 200 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kqa h ALA 200 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kqa h ALA 200 CO 0.02 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.69 3kqa n LEU 201 N -3.80 1.20 0.00 0.00 4.77 -0.48 -4.85 117.00 113.83 3kqa n LEU 201 Ca -0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3kqa n LEU 201 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3kqa n LEU 201 CO 0.31 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3kqa n GLY 202 N 1.12 1.14 3.87 -0.72 0.00 -0.21 -0.11 105.19 110.27 3kqa n GLY 202 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3kqa n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 203 N -2.00 2.81 -0.32 4.61 0.00 -0.30 -4.94 121.76 121.62 3kqa s ALA 203 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.73 3kqa s ALA 203 Cb 0.00 -3.05 0.09 0.00 0.00 0.00 0.00 23.12 20.16 3kqa s ALA 203 CO 0.00 -1.18 0.02 0.15 0.00 0.00 0.00 175.76 174.75 3kqa s LYS 204 N -5.29 1.70 -0.00 0.00 1.02 -1.26 -4.45 119.74 111.46 3kqa s LYS 204 Ca 0.58 -1.74 0.01 0.00 0.02 0.00 0.00 55.97 54.84 3kqa s LYS 204 Cb -0.12 -3.15 -0.00 0.00 -0.52 0.00 0.00 37.83 34.04 3kqa s LYS 204 CO 0.53 -0.85 -0.02 0.42 -0.92 0.00 0.00 175.35 174.50 3kqa s ILE 205 N 0.96 0.20 0.08 2.17 1.01 -1.26 -0.46 121.20 123.91 3kqa s ILE 205 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 3kqa s ILE 205 Cb -0.19 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 3kqa s ILE 205 CO -0.07 0.06 0.00 -0.94 0.00 0.00 0.00 174.94 174.00 3kqa s SER 206 N -0.02 0.42 0.00 3.58 1.04 -0.37 -4.88 113.70 113.47 3kqa s SER 206 Ca 0.01 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.36 3kqa s SER 206 Cb -0.02 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3kqa s SER 206 CO -0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 3kqa n GLY 207 N 0.03 1.39 3.73 7.32 0.00 -1.26 -1.05 105.19 115.35 3kqa n GLY 207 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3kqa n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLN 208 N -2.00 2.52 0.00 1.61 0.00 -1.26 -1.00 117.38 117.25 3kqa n GLN 208 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 57.00 57.90 3kqa n GLN 208 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 30.24 27.60 3kqa n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kqa n GLY 209 N 1.92 3.21 3.99 2.61 0.00 -1.26 -4.92 105.19 110.75 3kqa n GLY 209 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3kqa n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kqa s THR 210 N -2.85 1.99 -1.86 2.61 -4.23 -0.17 -4.82 115.64 106.31 3kqa s THR 210 Ca 0.00 -1.15 0.31 0.00 -1.18 0.00 0.00 61.69 59.67 3kqa s THR 210 Cb 0.00 -2.14 0.73 0.00 1.34 0.00 0.00 72.50 72.42 3kqa s THR 210 CO 0.00 0.00 2.10 -0.90 -0.54 0.00 0.00 174.62 175.28 3kqa n ASP 211 N -2.10 0.20 -3.92 3.99 3.85 -1.26 -4.64 116.55 112.68 3kqa n ASP 211 Ca 0.10 -0.79 -0.28 0.00 -0.71 0.00 0.00 54.79 53.12 3kqa n ASP 211 Cb 0.62 -0.08 -0.17 0.00 -1.35 0.00 0.00 41.12 40.15 3kqa n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3kqa s ARG 212 N -2.20 1.59 -0.17 0.11 3.52 -1.26 -0.46 118.95 120.08 3kqa s ARG 212 Ca 0.40 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 55.46 3kqa s ARG 212 Cb 0.21 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 3kqa s ARG 212 CO 0.40 -0.37 0.02 0.42 -0.81 0.00 0.00 175.30 174.96 3kqa s ILE 213 N 1.62 4.37 -0.16 4.11 1.01 -0.75 -4.45 121.20 126.95 3kqa s ILE 213 Ca 0.02 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.49 3kqa s ILE 213 Cb -0.14 -2.94 0.01 0.00 0.01 0.00 0.00 42.46 39.39 3kqa s ILE 213 CO -0.08 0.48 -0.19 -0.89 0.00 0.00 0.00 174.94 174.26 3kqa s THR 214 N 0.32 2.29 -0.02 2.92 2.01 -0.21 -0.70 115.64 122.25 3kqa s THR 214 Ca -0.00 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.16 3kqa s THR 214 Cb -0.13 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 3kqa s THR 214 CO 0.01 0.53 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.69 3kqa s ILE 215 N 1.01 2.93 -0.21 1.82 1.09 0.34 -1.24 121.20 126.95 3kqa s ILE 215 Ca -0.02 -0.88 0.01 0.00 -1.10 0.00 0.00 60.65 58.66 3kqa s ILE 215 Cb -0.15 -2.16 0.04 0.00 -1.06 0.00 0.00 42.46 39.13 3kqa s ILE 215 CO -0.05 0.52 -0.12 -0.70 -0.10 0.00 0.00 174.94 174.48 3kqa s GLU 216 N -0.94 2.26 0.41 2.79 2.12 0.39 -0.42 118.70 125.32 3kqa s GLU 216 Ca 0.12 -0.94 -0.27 0.00 0.36 0.00 0.00 54.97 54.25 3kqa s GLU 216 Cb -0.11 -2.53 -0.10 0.00 0.26 0.00 0.00 34.13 31.66 3kqa s GLU 216 CO 0.02 -0.41 1.43 0.20 -0.54 0.00 0.00 175.26 175.96 3kqa s GLY 217 N 1.32 2.94 0.42 -1.50 0.00 -0.54 -3.98 107.32 105.98 3kqa s GLY 217 Ca -0.01 1.47 0.06 0.00 0.00 0.00 0.00 44.72 46.23 3kqa s GLY 217 CO -0.09 2.11 0.01 -1.34 0.00 0.00 0.00 173.10 173.80 3kqa s VAL 218 N -1.17 1.77 0.20 1.40 -7.23 -0.27 -4.67 120.40 110.44 3kqa s VAL 218 Ca 0.56 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.84 3kqa s VAL 218 Cb -0.44 -2.82 -0.06 0.00 0.56 0.00 0.00 36.38 33.62 3kqa s VAL 218 CO 0.58 0.00 1.52 -0.33 -0.31 0.00 0.00 175.10 176.56 3kqa h GLU 219 N 1.71 0.00 -2.32 4.82 5.08 -1.91 -3.39 114.58 118.56 3kqa h GLU 219 Ca -0.44 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3kqa h GLU 219 Cb 1.26 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.35 3kqa h GLU 219 CO 0.79 0.70 0.41 -0.98 -1.00 0.00 0.00 179.01 178.93 3kqa s ARG 220 N -3.32 0.91 -0.01 2.33 1.70 -1.26 -5.03 118.95 114.27 3kqa s ARG 220 Ca -0.00 -0.23 0.03 0.00 -0.47 0.00 0.00 55.73 55.06 3kqa s ARG 220 Cb 0.11 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 3kqa s ARG 220 CO 0.77 -0.38 -0.08 -0.51 -1.08 0.00 0.00 175.30 174.02 3kqa s LEU 221 N -2.25 3.09 0.00 -1.89 1.43 -1.26 -4.87 118.68 112.92 3kqa s LEU 221 Ca 0.02 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3kqa s LEU 221 Cb -0.01 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.46 3kqa s LEU 221 CO -0.07 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3kqa n GLY 222 N 1.75 1.09 0.00 -3.19 0.00 0.84 -1.62 105.19 104.07 3kqa n GLY 222 Ca -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3kqa n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 223 N 5.00 5.87 0.00 -0.02 0.00 -1.26 -2.98 105.19 111.80 3kqa n GLY 223 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3kqa n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 224 N 1.30 0.94 3.05 -0.02 0.00 -0.56 -4.59 105.19 105.31 3kqa n GLY 224 Ca 0.00 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.88 3kqa n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kqa s VAL 225 N -2.61 0.98 -0.05 1.61 1.01 -1.26 0.13 120.40 120.21 3kqa s VAL 225 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 3kqa s VAL 225 Cb 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.54 3kqa s VAL 225 CO 0.00 0.29 0.22 -0.47 0.00 0.00 0.00 175.10 175.14 3kqa s TYR 226 N 0.07 -0.15 -0.20 5.22 5.04 -0.42 -4.96 117.35 121.95 3kqa s TYR 226 Ca -0.02 0.32 -0.04 0.00 -2.44 0.00 0.00 57.07 54.89 3kqa s TYR 226 Cb -0.09 0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.25 3kqa s TYR 226 CO 0.01 -0.23 -0.02 0.50 -1.34 0.00 0.00 175.55 174.47 3kqa s ARG 227 N -0.63 3.55 0.30 4.97 3.52 -1.26 -0.20 118.95 129.21 3kqa s ARG 227 Ca -0.07 -0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 54.68 3kqa s ARG 227 Cb -0.04 -3.04 -0.10 0.00 -1.56 0.00 0.00 34.95 30.21 3kqa s ARG 227 CO 0.01 -0.03 1.31 0.08 -0.81 0.00 0.00 175.30 175.86 3kqa s VAL 228 N 1.09 2.81 0.81 7.11 1.01 -0.33 -4.92 120.40 127.97 3kqa s VAL 228 Ca 0.02 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.67 3kqa s VAL 228 Cb -0.14 -3.50 0.08 0.00 0.00 0.00 0.00 36.38 32.81 3kqa s VAL 228 CO 0.01 0.17 1.10 -1.48 0.00 0.00 0.00 175.10 174.90 3kqa s LEU 229 N -1.44 2.87 0.66 3.92 2.34 -1.26 -4.75 118.68 121.03 3kqa s LEU 229 Ca 0.51 1.79 -0.17 0.00 0.06 0.00 0.00 54.13 56.32 3kqa s LEU 229 Cb -0.39 -4.41 0.00 0.00 -0.56 0.00 0.00 46.19 40.83 3kqa s LEU 229 CO 0.50 -2.24 1.20 -2.84 -1.06 0.00 0.00 176.35 171.90 3kqa s PRO 230 N -4.89 2.58 -0.62 1.48 0.02 -1.26 -1.15 135.00 131.16 3kqa s PRO 230 Ca 0.62 1.74 -0.28 0.00 0.02 0.00 0.00 61.00 63.10 3kqa s PRO 230 Cb -0.18 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.48 3kqa s PRO 230 CO 0.56 -1.49 1.31 0.34 -0.33 0.00 0.00 177.00 177.40 3kqa s ASP 231 N -1.92 6.22 0.36 2.53 -1.08 0.20 -4.32 116.67 118.65 3kqa s ASP 231 Ca 0.75 0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.83 3kqa s ASP 231 Cb -0.29 -2.55 0.67 0.00 -1.46 0.00 0.00 42.92 39.29 3kqa s ASP 231 CO 0.40 -1.69 1.94 0.08 0.52 0.00 0.00 175.17 176.41 3kqa h ARG 232 N 10.38 0.59 -0.18 4.34 0.11 -1.92 -1.81 114.38 125.89 3kqa h ARG 232 Ca -0.26 -0.09 -0.16 0.00 0.10 0.00 0.00 59.98 59.57 3kqa h ARG 232 Cb 1.07 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.05 3kqa h ARG 232 CO 1.21 0.51 -0.50 0.82 0.10 0.00 0.00 179.97 182.11 3kqa h ILE 233 N 0.59 1.32 -0.91 0.08 1.08 -1.96 -0.77 117.51 116.93 3kqa h ILE 233 Ca 0.14 -1.75 0.06 0.00 -0.39 0.00 0.00 64.86 62.93 3kqa h ILE 233 Cb 0.16 1.94 -0.06 0.00 -3.07 0.00 0.00 36.82 35.78 3kqa h ILE 233 CO -0.01 0.54 0.58 -0.08 -0.69 0.00 0.00 178.15 178.49 3kqa h GLU 234 N 0.34 1.03 -0.02 2.37 4.81 -1.91 0.25 114.58 121.45 3kqa h GLU 234 Ca -0.01 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3kqa h GLU 234 Cb 1.12 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3kqa h GLU 234 CO 0.11 0.68 -0.02 1.15 -0.73 0.00 0.00 179.01 180.20 3kqa h THR 235 N 1.06 0.95 -0.68 0.32 2.02 -1.18 -1.01 112.91 114.39 3kqa h THR 235 Ca 0.39 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.55 3kqa h THR 235 Cb 0.15 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3kqa h THR 235 CO -0.17 0.00 0.34 1.23 0.37 0.00 0.00 175.52 177.30 3kqa h GLY 236 N -0.02 1.02 0.95 2.16 0.00 -0.26 -1.48 103.07 105.43 3kqa h GLY 236 Ca 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3kqa h GLY 236 CO -0.03 0.45 0.18 -0.84 0.00 0.00 0.00 176.54 176.30 3kqa h THR 237 N 0.96 1.17 -0.03 4.70 2.02 0.03 -0.59 112.91 121.16 3kqa h THR 237 Ca 0.24 -0.48 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 3kqa h THR 237 Cb 0.07 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3kqa h THR 237 CO -0.03 0.18 -0.54 -0.26 0.37 0.00 0.00 175.52 175.23 3kqa h PHE 238 N 0.46 0.11 -0.68 3.16 -1.00 -0.94 -1.03 116.94 117.02 3kqa h PHE 238 Ca 0.13 -0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.79 3kqa h PHE 238 Cb 0.12 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.63 3kqa h PHE 238 CO -0.01 0.61 0.11 -0.07 -1.61 0.00 0.00 178.31 177.34 3kqa h LEU 239 N 0.07 1.08 -0.65 1.54 3.38 -0.92 -2.42 115.31 117.39 3kqa h LEU 239 Ca -0.00 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 3kqa h LEU 239 Cb 0.98 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3kqa h LEU 239 CO 0.08 1.07 -0.37 0.58 0.09 0.00 0.00 178.44 179.88 3kqa h VAL 240 N 1.05 1.29 -0.80 1.22 2.07 -0.84 0.03 116.25 120.27 3kqa h VAL 240 Ca 0.21 -1.53 0.07 0.00 0.82 0.00 0.00 66.70 66.27 3kqa h VAL 240 Cb 0.45 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3kqa h VAL 240 CO 0.01 0.49 0.47 0.00 0.02 0.00 0.00 177.57 178.56 3kqa h ALA 241 N 1.06 1.11 -0.12 1.67 0.00 -0.77 -0.10 119.26 122.11 3kqa h ALA 241 Ca 0.05 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3kqa h ALA 241 Cb 0.88 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3kqa h ALA 241 CO 0.08 0.15 -0.55 0.00 0.00 0.00 0.00 179.25 178.93 3kqa h ALA 242 N 1.41 0.23 0.00 0.00 0.00 -1.16 -3.21 119.26 116.53 3kqa h ALA 242 Ca 0.37 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3kqa h ALA 242 Cb 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kqa h ALA 242 CO -0.21 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.47 3kqa h ALA 243 N 0.50 1.65 -0.01 0.00 0.00 -0.14 -1.82 119.26 119.44 3kqa h ALA 243 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kqa h ALA 243 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kqa h ALA 243 CO 0.12 0.04 -0.43 0.44 0.00 0.00 0.00 179.25 179.41 3kqa n ILE 244 N -4.06 0.00 -0.92 0.00 -5.35 -0.13 -4.25 119.36 104.65 3kqa n ILE 244 Ca -0.03 -0.20 0.08 0.00 -0.27 0.00 0.00 62.75 62.34 3kqa n ILE 244 Cb 0.12 0.93 0.11 0.00 -1.74 0.00 0.00 39.64 39.06 3kqa n ILE 244 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3kqa n SER 245 N -0.34 2.23 -0.37 7.28 3.41 -0.99 -4.92 113.62 119.92 3kqa n SER 245 Ca 0.10 -2.88 -0.05 0.00 -0.26 0.00 0.00 58.87 55.78 3kqa n SER 245 Cb 0.42 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 3kqa n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqa n GLY 246 N -1.25 0.56 0.30 5.00 0.00 -1.16 -4.41 105.19 104.23 3kqa n GLY 246 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 3kqa n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqa n GLY 247 N -0.18 -1.48 3.05 -0.02 0.00 -0.72 -3.26 105.19 102.59 3kqa n GLY 247 Ca -0.05 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 3kqa n GLY 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kqa s LYS 248 N -3.23 0.20 0.10 1.61 2.20 -1.24 -1.93 119.74 117.45 3kqa s LYS 248 Ca 0.06 0.27 -0.16 0.00 -0.36 0.00 0.00 55.97 55.78 3kqa s LYS 248 Cb -0.00 0.08 0.03 0.00 -1.51 0.00 0.00 37.83 36.43 3kqa s LYS 248 CO 0.04 -0.04 0.38 -1.50 -0.36 0.00 0.00 175.35 173.87 3kqa s ILE 249 N 0.20 0.07 -0.06 5.43 2.07 0.55 -1.20 121.20 128.27 3kqa s ILE 249 Ca -0.01 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 58.63 3kqa s ILE 249 Cb -0.02 -1.13 0.02 0.00 0.13 0.00 0.00 42.46 41.46 3kqa s ILE 249 CO -0.00 -0.34 -0.04 -0.69 -1.91 0.00 0.00 174.94 171.95 3kqa s VAL 250 N -3.50 0.60 -0.29 4.00 1.01 -0.43 -1.05 120.40 120.74 3kqa s VAL 250 Ca 0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 3kqa s VAL 250 Cb 0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3kqa s VAL 250 CO -0.10 0.26 0.19 0.00 0.00 0.00 0.00 175.10 175.46 3kqa s ARG 252 N 1.75 3.57 -1.34 0.00 1.81 0.39 -2.14 118.95 122.99 3kqa s ARG 252 Ca 0.07 -0.14 -0.07 0.00 -1.72 0.00 0.00 55.73 53.87 3kqa s ARG 252 Cb -0.16 -2.69 0.02 0.00 -0.45 0.00 0.00 34.95 31.67 3kqa s ARG 252 CO 0.11 0.24 1.07 0.09 -0.68 0.00 0.00 175.30 176.13 3kqa n ASN 253 N -1.07 -4.67 -4.87 0.23 4.13 -0.92 -0.55 115.26 107.54 3kqa n ASN 253 Ca -0.03 -0.62 -0.22 0.00 1.68 0.00 0.00 54.58 55.39 3kqa n ASN 253 Cb 0.54 -4.81 -0.03 0.00 -1.54 0.00 0.00 39.78 33.95 3kqa n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kqa s ALA 254 N -3.35 4.09 -0.36 5.41 0.00 -0.39 -4.48 121.76 122.67 3kqa s ALA 254 Ca 0.41 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.54 3kqa s ALA 254 Cb -0.19 -0.93 0.14 0.00 0.00 0.00 0.00 23.12 22.15 3kqa s ALA 254 CO 0.75 -0.27 0.23 -1.14 0.00 0.00 0.00 175.76 175.33 3kqa s GLN 255 N -4.15 0.57 0.32 0.00 0.74 -1.26 -4.02 119.66 111.86 3kqa s GLN 255 Ca 0.46 -1.33 0.05 0.00 0.05 0.00 0.00 55.36 54.59 3kqa s GLN 255 Cb -0.02 -1.25 0.85 0.00 1.10 0.00 0.00 33.01 33.69 3kqa s GLN 255 CO 0.27 -1.22 1.57 -2.30 -0.55 0.00 0.00 175.29 173.05 3kqa n PRO 256 N 3.99 -0.08 0.00 1.67 -0.02 -1.26 -1.89 135.00 137.41 3kqa n PRO 256 Ca 0.13 1.48 0.06 0.00 -2.02 0.00 0.00 63.50 63.15 3kqa n PRO 256 Cb 0.38 -2.39 0.35 0.00 -0.02 0.00 0.00 33.50 31.82 3kqa n PRO 256 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kqa n ASP 257 N -5.46 0.00 -0.85 2.55 3.85 -1.26 -1.36 116.55 114.02 3kqa n ASP 257 Ca 0.26 -0.21 0.12 0.00 -0.71 0.00 0.00 54.79 54.25 3kqa n ASP 257 Cb 0.85 -0.10 0.22 0.00 -1.35 0.00 0.00 41.12 40.73 3kqa n ASP 257 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3kqa n THR 258 N -1.10 0.03 -1.75 2.12 -2.24 -0.79 -4.35 114.28 106.20 3kqa n THR 258 Ca 0.08 -0.45 0.05 0.00 -2.27 0.00 0.00 64.05 61.46 3kqa n THR 258 Cb 0.06 1.20 0.09 0.00 -2.10 0.00 0.00 70.33 69.58 3kqa n THR 258 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqa n LEU 259 N 1.05 1.44 -0.10 3.22 4.77 -0.46 -4.92 117.00 122.00 3kqa n LEU 259 Ca 0.16 -2.41 -0.08 0.00 -0.03 0.00 0.00 56.01 53.65 3kqa n LEU 259 Cb 0.54 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3kqa n LEU 259 CO 0.15 0.67 0.63 0.44 -1.33 0.00 0.00 177.39 177.96 3kqa h ASP 260 N 0.41 -1.11 -0.62 -1.43 3.32 -1.76 -1.21 116.42 114.03 3kqa h ASP 260 Ca -0.05 0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.26 3kqa h ASP 260 Cb 1.31 0.51 -0.06 0.00 0.22 0.00 0.00 39.33 41.30 3kqa h ASP 260 CO 0.02 -0.33 0.29 0.00 -1.72 0.00 0.00 179.24 177.50 3kqa h ALA 261 N 0.67 0.82 -0.27 3.45 0.00 -1.90 -0.93 119.26 121.09 3kqa h ALA 261 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kqa h ALA 261 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kqa h ALA 261 CO -0.52 -0.08 0.12 0.28 0.00 0.00 0.00 179.25 179.05 3kqa h VAL 262 N 0.53 1.16 -0.43 0.00 2.07 -1.76 -2.26 116.25 115.56 3kqa h VAL 262 Ca 0.29 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kqa h VAL 262 Cb 0.27 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3kqa h VAL 262 CO -0.23 0.17 0.22 -0.07 0.02 0.00 0.00 177.57 177.68 3kqa h LEU 263 N 0.30 0.55 -1.21 2.57 3.38 -0.93 -0.89 115.31 119.09 3kqa h LEU 263 Ca 0.09 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3kqa h LEU 263 Cb 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3kqa h LEU 263 CO -0.01 0.50 0.56 0.00 0.09 0.00 0.00 178.44 179.58 3kqa h ALA 264 N 1.07 1.56 -0.06 1.53 0.00 -1.07 -0.77 119.26 121.52 3kqa h ALA 264 Ca 0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3kqa h ALA 264 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kqa h ALA 264 CO -0.02 0.31 -0.71 -0.22 0.00 0.00 0.00 179.25 178.60 3kqa h LYS 265 N 0.95 0.31 -0.21 0.00 1.63 -0.98 -2.56 116.57 115.72 3kqa h LYS 265 Ca 0.37 -0.25 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 3kqa h LYS 265 Cb 0.21 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 3kqa h LYS 265 CO -0.13 0.90 -0.31 -0.07 -3.45 0.00 0.00 179.45 176.38 3kqa h LEU 266 N 0.21 0.43 -0.73 5.20 3.38 -0.14 -2.11 115.31 121.56 3kqa h LEU 266 Ca -0.02 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3kqa h LEU 266 Cb 1.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3kqa h LEU 266 CO 0.12 0.73 -0.30 0.03 0.09 0.00 0.00 178.44 179.11 3kqa h ARG 267 N 0.37 0.64 0.00 1.13 3.08 -1.04 -1.28 114.38 117.28 3kqa h ARG 267 Ca 0.05 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 3kqa h ARG 267 Cb 0.74 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3kqa h ARG 267 CO 0.06 0.86 -0.17 0.93 -1.07 0.00 0.00 179.97 180.58 3kqa h GLU 268 N 0.55 0.00 0.00 0.04 5.08 -1.16 0.23 114.58 119.32 3kqa h GLU 268 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kqa h GLU 268 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3kqa h GLU 268 CO 0.06 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 3kqa n ALA 269 N -2.24 2.33 0.00 3.43 0.00 -0.69 -4.71 120.51 118.62 3kqa n ALA 269 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kqa n ALA 269 Cb 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3kqa n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqa n GLY 270 N 1.20 1.08 3.81 0.00 0.00 0.07 0.17 105.19 111.52 3kqa n GLY 270 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3kqa n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 271 N -2.00 3.29 -0.48 4.61 0.00 -0.57 -4.87 121.76 121.74 3kqa s ALA 271 Ca 0.00 0.27 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 3kqa s ALA 271 Cb 0.00 -2.96 0.05 0.00 0.00 0.00 0.00 23.12 20.21 3kqa s ALA 271 CO 0.00 0.26 0.59 0.34 0.00 0.00 0.00 175.76 176.95 3kqa s ASP 272 N -1.84 6.23 -0.06 0.00 2.15 -0.43 -4.38 116.67 118.35 3kqa s ASP 272 Ca 0.50 -0.80 0.05 0.00 0.43 0.00 0.00 52.55 52.72 3kqa s ASP 272 Cb -0.15 -2.28 -0.02 0.00 -0.30 0.00 0.00 42.92 40.18 3kqa s ASP 272 CO 0.20 -0.81 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.56 3kqa s ILE 273 N 2.53 2.54 0.04 4.11 1.01 -1.26 -1.17 121.20 129.00 3kqa s ILE 273 Ca 0.15 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.96 3kqa s ILE 273 Cb -0.18 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 3kqa s ILE 273 CO 0.13 0.57 -0.16 -1.61 0.00 0.00 0.00 174.94 173.87 3kqa s GLU 274 N -0.32 1.06 0.04 2.79 0.41 -0.48 -4.98 118.70 117.23 3kqa s GLU 274 Ca 0.02 -0.82 0.03 0.00 -0.41 0.00 0.00 54.97 53.78 3kqa s GLU 274 Cb -0.13 -1.11 -0.02 0.00 -1.78 0.00 0.00 34.13 31.09 3kqa s GLU 274 CO 0.02 0.28 -0.10 0.95 -0.49 0.00 0.00 175.26 175.92 3kqa s THR 275 N -0.85 0.72 0.00 3.63 -4.23 -1.26 0.48 115.64 114.13 3kqa s THR 275 Ca 0.03 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3kqa s THR 275 Cb -0.08 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.03 3kqa s THR 275 CO 0.01 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3kqa n GLY 276 N 1.66 5.97 0.12 3.99 0.00 -0.57 -4.99 105.19 111.36 3kqa n GLY 276 Ca -0.21 -1.94 -0.18 0.00 0.00 0.00 0.00 46.02 43.69 3kqa n GLY 276 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kqa h GLU 277 N 0.00 0.37 0.00 1.61 4.11 -2.01 -3.38 114.58 115.28 3kqa h GLU 277 Ca 0.00 -0.61 -0.04 0.00 0.07 0.00 0.00 59.36 58.78 3kqa h GLU 277 Cb 0.00 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 3kqa h GLU 277 CO 0.00 1.28 -0.49 -0.40 0.07 0.00 0.00 179.01 179.47 3kqa n ASP 278 N -3.61 1.37 -3.84 3.06 3.85 -1.26 -4.54 116.55 111.59 3kqa n ASP 278 Ca -0.11 -2.87 -0.10 0.00 -0.71 0.00 0.00 54.79 51.01 3kqa n ASP 278 Cb 1.03 -0.38 -0.06 0.00 -1.35 0.00 0.00 41.12 40.36 3kqa n ASP 278 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 3kqa s TRP 279 N -1.75 0.13 -0.03 2.11 1.48 -1.26 -1.27 118.94 118.36 3kqa s TRP 279 Ca 0.28 -0.49 -0.01 0.00 -1.06 0.00 0.00 56.10 54.82 3kqa s TRP 279 Cb 0.28 0.13 0.02 0.00 -1.16 0.00 0.00 33.47 32.73 3kqa s TRP 279 CO -0.05 -0.76 0.06 0.42 -4.06 0.00 0.00 176.95 172.56 3kqa s ILE 280 N -3.90 -0.03 0.01 0.66 1.01 -0.91 -1.52 121.20 116.52 3kqa s ILE 280 Ca 0.11 0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.95 3kqa s ILE 280 Cb 0.02 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 42.35 3kqa s ILE 280 CO -0.04 0.04 -0.25 -0.55 0.00 0.00 0.00 174.94 174.14 3kqa s SER 281 N 0.60 3.19 -0.02 3.58 0.15 0.18 -0.16 113.70 121.21 3kqa s SER 281 Ca -0.05 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.11 3kqa s SER 281 Cb -0.07 -0.36 0.02 0.00 -1.71 0.00 0.00 66.02 63.91 3kqa s SER 281 CO -0.02 0.29 0.00 -0.22 1.20 0.00 0.00 173.24 174.50 3kqa s LEU 282 N -0.91 1.24 -0.06 3.45 0.20 -0.22 -1.38 118.68 121.00 3kqa s LEU 282 Ca 0.11 -0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.92 3kqa s LEU 282 Cb -0.10 -0.18 0.02 0.00 -0.43 0.00 0.00 46.19 45.50 3kqa s LEU 282 CO 0.01 -0.09 -0.03 -0.62 -0.29 0.00 0.00 176.35 175.32 3kqa s ASP 283 N 0.91 1.25 0.00 3.68 -1.08 -0.32 -0.33 116.67 120.78 3kqa s ASP 283 Ca -0.09 -0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.07 3kqa s ASP 283 Cb -0.12 -0.48 0.58 0.00 -1.46 0.00 0.00 42.92 41.44 3kqa s ASP 283 CO -0.02 -0.10 1.46 0.23 0.52 0.00 0.00 175.17 177.26 3kqa n MET 284 N 4.46 0.29 -3.82 4.34 2.81 -0.81 -1.32 117.12 123.07 3kqa n MET 284 Ca -0.18 -0.17 -0.27 0.00 -1.81 0.00 0.00 57.70 55.26 3kqa n MET 284 Cb 0.51 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.55 3kqa n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3kqa n HIS 285 N -1.20 -2.29 -0.96 2.03 8.25 -1.26 -1.07 115.22 118.72 3kqa n HIS 285 Ca 0.08 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 3kqa n HIS 285 Cb 0.34 -4.22 0.00 0.00 1.12 0.00 0.00 29.99 27.23 3kqa n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqa n GLY 286 N -1.70 0.22 3.93 -1.41 0.00 -1.20 -5.00 105.19 100.03 3kqa n GLY 286 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3kqa n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqa s LYS 287 N -1.14 3.44 0.69 1.61 -0.14 -0.23 -4.87 119.74 119.10 3kqa s LYS 287 Ca 0.00 -0.49 -0.14 0.00 -1.36 0.00 0.00 55.97 53.97 3kqa s LYS 287 Cb 0.00 -3.01 0.02 0.00 -1.68 0.00 0.00 37.83 33.15 3kqa s LYS 287 CO 0.00 0.58 1.13 1.03 -0.76 0.00 0.00 175.35 177.33 3kqa s ARG 288 N -2.75 2.57 0.65 1.68 0.52 -1.26 -4.38 118.95 115.98 3kqa s ARG 288 Ca 0.35 1.44 -0.11 0.00 -0.52 0.00 0.00 55.73 56.89 3kqa s ARG 288 Cb -0.12 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 3kqa s ARG 288 CO 0.28 -1.44 1.04 -1.25 0.02 0.00 0.00 175.30 173.95 3kqa s PRO 289 N -4.15 3.32 -0.08 3.54 0.04 -1.26 -4.88 135.00 131.53 3kqa s PRO 289 Ca 0.68 0.85 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 3kqa s PRO 289 Cb -0.22 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3kqa s PRO 289 CO 0.44 -0.79 0.15 0.15 0.04 0.00 0.00 177.00 176.99 3kqa s LYS 290 N -5.08 3.42 0.45 4.56 -0.14 0.13 -0.99 119.74 122.09 3kqa s LYS 290 Ca 0.57 -0.20 -0.25 0.00 -1.36 0.00 0.00 55.97 54.72 3kqa s LYS 290 Cb -0.12 -3.15 -0.08 0.00 -1.68 0.00 0.00 37.83 32.80 3kqa s LYS 290 CO 0.54 0.74 1.42 0.00 -0.76 0.00 0.00 175.35 177.29 3kqa s ALA 291 N -1.12 3.23 0.27 5.17 0.00 -0.57 -4.39 121.76 124.35 3kqa s ALA 291 Ca 0.19 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.62 3kqa s ALA 291 Cb -0.12 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 3kqa s ALA 291 CO 0.09 -1.17 0.04 0.14 0.00 0.00 0.00 175.76 174.85 3kqa s VAL 292 N -1.21 0.98 -0.15 0.00 -7.23 -1.26 -4.85 120.40 106.68 3kqa s VAL 292 Ca 0.61 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.72 3kqa s VAL 292 Cb -0.43 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 3kqa s VAL 292 CO 0.55 -0.13 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.31 3kqa s THR 293 N -3.46 4.11 -0.03 5.32 2.01 -1.26 -3.09 115.64 119.25 3kqa s THR 293 Ca 0.34 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.11 3kqa s THR 293 Cb 0.07 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 3kqa s THR 293 CO 0.12 0.50 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.67 3kqa s VAL 294 N 0.25 1.52 -0.20 3.82 1.01 -0.28 -4.97 120.40 121.55 3kqa s VAL 294 Ca -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3kqa s VAL 294 Cb -0.14 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 35.02 3kqa s VAL 294 CO 0.02 0.43 0.05 -0.60 0.00 0.00 0.00 175.10 175.00 3kqa s ARG 295 N -0.21 0.59 0.48 2.72 3.52 -1.26 -0.65 118.95 124.14 3kqa s ARG 295 Ca 0.02 -0.42 -0.21 0.00 -0.13 0.00 0.00 55.73 54.98 3kqa s ARG 295 Cb -0.10 -2.06 -0.08 0.00 -1.56 0.00 0.00 34.95 31.16 3kqa s ARG 295 CO 0.01 -0.67 1.09 0.95 -0.81 0.00 0.00 175.30 175.87 3kqa s THR 296 N 1.88 3.45 0.13 4.11 -4.23 0.05 -4.34 115.64 116.70 3kqa s THR 296 Ca -0.00 0.98 -0.26 0.00 -1.18 0.00 0.00 61.69 61.23 3kqa s THR 296 Cb -0.17 -3.44 0.07 0.00 1.34 0.00 0.00 72.50 70.30 3kqa s THR 296 CO -0.09 -0.12 0.98 0.00 -0.54 0.00 0.00 174.62 174.84 3kqa s ALA 297 N -1.77 -1.70 0.51 3.99 0.00 -0.41 -3.75 121.76 118.62 3kqa s ALA 297 Ca 0.66 0.20 -0.22 0.00 0.00 0.00 0.00 51.96 52.61 3kqa s ALA 297 Cb -0.22 0.61 -0.08 0.00 0.00 0.00 0.00 23.12 23.43 3kqa s ALA 297 CO 0.26 -1.03 1.05 -2.30 0.00 0.00 0.00 175.76 173.75 3kqa n PRO 298 N -0.46 1.27 -1.74 0.00 -0.02 -1.26 -4.29 135.00 128.50 3kqa n PRO 298 Ca -0.06 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.50 3kqa n PRO 298 Cb 0.61 -2.19 0.05 0.00 -0.02 0.00 0.00 33.50 31.95 3kqa n PRO 298 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3kqa n HIS 299 N -1.02 2.23 1.44 6.00 -0.00 -1.26 -0.53 115.22 122.09 3kqa n HIS 299 Ca 0.11 0.43 0.02 0.00 0.46 0.00 0.00 57.72 58.74 3kqa n HIS 299 Cb 0.43 -2.35 0.12 0.00 -0.12 0.00 0.00 29.99 28.08 3kqa n HIS 299 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3kqa n PRO 300 N -1.15 0.72 -1.27 1.57 -0.04 -1.26 -4.68 135.00 128.89 3kqa n PRO 300 Ca 0.11 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.28 3kqa n PRO 300 Cb 0.45 -1.09 0.21 0.00 -0.04 0.00 0.00 33.50 33.04 3kqa n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kqa s ALA 301 N -2.00 1.01 0.10 0.55 0.00 0.31 -4.34 121.76 117.39 3kqa s ALA 301 Ca 0.06 -0.87 -0.33 0.00 0.00 0.00 0.00 51.96 50.82 3kqa s ALA 301 Cb 0.03 -2.91 -0.12 0.00 0.00 0.00 0.00 23.12 20.11 3kqa s ALA 301 CO 0.05 -3.19 1.74 0.34 0.00 0.00 0.00 175.76 174.70 3kqa n PHE 302 N -4.44 2.45 -2.70 0.00 7.35 -1.26 -4.76 117.46 114.11 3kqa n PHE 302 Ca 0.12 0.05 -0.40 0.00 -0.76 0.00 0.00 57.45 56.45 3kqa n PHE 302 Cb 0.59 -2.65 -0.05 0.00 0.35 0.00 0.00 39.48 37.72 3kqa n PHE 302 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3kqa s PRO 303 N 2.19 4.80 0.27 -7.13 0.04 -1.26 -1.29 135.00 132.62 3kqa s PRO 303 Ca 0.82 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 63.39 3kqa s PRO 303 Cb -0.60 -3.28 0.45 0.00 0.04 0.00 0.00 34.50 31.12 3kqa s PRO 303 CO 0.40 0.42 1.85 1.79 0.04 0.00 0.00 177.00 181.50 3kqa h THR 304 N 3.27 0.99 0.00 1.26 1.35 -1.93 -1.42 112.91 116.43 3kqa h THR 304 Ca -0.45 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3kqa h THR 304 Cb 1.20 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3kqa h THR 304 CO 0.68 0.19 0.10 0.47 -0.25 0.00 0.00 175.52 176.71 3kqa n ASP 305 N -4.59 0.49 -0.61 5.36 9.92 -1.26 -0.26 116.55 125.59 3kqa n ASP 305 Ca 0.16 0.69 0.07 0.00 -0.53 0.00 0.00 54.79 55.19 3kqa n ASP 305 Cb 0.26 -0.73 0.09 0.00 -0.64 0.00 0.00 41.12 40.11 3kqa n ASP 305 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 3kqa n MET 306 N -2.19 1.38 -0.04 -1.24 2.81 -0.54 -4.73 117.12 112.57 3kqa n MET 306 Ca -0.01 -1.53 -0.10 0.00 -1.81 0.00 0.00 57.70 54.24 3kqa n MET 306 Cb 0.13 -1.28 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 3kqa n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3kqa h GLN 307 N 2.68 0.26 -0.62 0.03 -0.00 -0.60 -1.97 115.11 114.89 3kqa h GLN 307 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 3kqa h GLN 307 Cb 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 28.02 3kqa h GLN 307 CO 0.00 0.22 0.36 0.00 0.00 0.00 0.00 178.83 179.41 3kqa h ALA 308 N 1.02 0.79 -0.74 3.38 0.00 -1.85 -0.87 119.26 120.99 3kqa h ALA 308 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kqa h ALA 308 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3kqa h ALA 308 CO -0.01 0.28 0.39 1.96 0.00 0.00 0.00 179.25 181.86 3kqa h GLN 309 N 0.83 1.05 0.00 0.00 7.50 -1.78 -1.81 115.11 120.91 3kqa h GLN 309 Ca 0.22 -0.14 -0.06 0.00 0.50 0.00 0.00 58.65 59.17 3kqa h GLN 309 Cb 0.01 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.33 3kqa h GLN 309 CO -0.04 0.80 -0.30 0.74 -1.50 0.00 0.00 178.83 178.53 3kqa h PHE 310 N 1.03 0.00 -0.42 2.96 -1.00 -1.08 -1.57 116.94 116.87 3kqa h PHE 310 Ca 0.26 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.98 3kqa h PHE 310 Cb 0.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 3kqa h PHE 310 CO 0.00 0.30 0.03 1.15 -1.61 0.00 0.00 178.31 178.19 3kqa h THR 311 N 0.00 1.25 -0.56 -1.55 2.02 -0.63 -0.66 112.91 112.78 3kqa h THR 311 Ca -0.00 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 3kqa h THR 311 Cb 0.98 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 3kqa h THR 311 CO 0.04 0.33 0.28 0.25 0.37 0.00 0.00 175.52 176.79 3kqa h LEU 312 N 0.56 0.72 -0.63 2.58 5.85 -1.04 -0.87 115.31 122.48 3kqa h LEU 312 Ca 0.12 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3kqa h LEU 312 Cb 0.43 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3kqa h LEU 312 CO 0.02 0.63 0.37 0.25 -0.34 0.00 0.00 178.44 179.37 3kqa h LEU 313 N 0.75 0.59 -0.66 2.25 6.46 -0.99 -2.02 115.31 121.69 3kqa h LEU 313 Ca 0.19 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3kqa h LEU 313 Cb 0.09 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 3kqa h LEU 313 CO -0.03 0.40 0.42 0.78 -0.62 0.00 0.00 178.44 179.39 3kqa h ASN 314 N 0.72 0.77 0.41 1.25 2.35 -0.51 -2.29 115.58 118.28 3kqa h ASN 314 Ca 0.27 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3kqa h ASN 314 Cb 0.08 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3kqa h ASN 314 CO -0.13 0.58 0.00 0.18 -1.65 0.00 0.00 177.43 176.41 3kqa n LEU 315 N -4.60 0.47 -0.47 1.61 4.77 -0.39 -1.63 117.00 116.76 3kqa n LEU 315 Ca 0.05 0.65 0.07 0.00 -0.03 0.00 0.00 56.01 56.75 3kqa n LEU 315 Cb 0.04 -0.63 0.13 0.00 -2.33 0.00 0.00 43.42 40.62 3kqa n LEU 315 CO 0.36 -0.62 0.40 1.33 -1.33 0.00 0.00 177.39 177.53 3kqa n VAL 316 N -2.06 1.52 -3.42 4.08 0.24 -1.01 -1.78 118.33 115.90 3kqa n VAL 316 Ca 0.01 -2.13 -0.20 0.00 -2.04 0.00 0.00 64.34 59.97 3kqa n VAL 316 Cb 0.14 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.50 3kqa n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kqa s ALA 317 N -2.27 4.24 -0.29 2.33 0.00 -0.65 -4.62 121.76 120.51 3kqa s ALA 317 Ca 0.30 -1.81 -0.24 0.00 0.00 0.00 0.00 51.96 50.20 3kqa s ALA 317 Cb 0.28 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3kqa s ALA 317 CO -0.03 -0.30 0.84 -1.21 0.00 0.00 0.00 175.76 175.06 3kqa s GLU 318 N -4.23 4.05 0.00 0.00 2.02 -0.17 -3.65 118.70 116.73 3kqa s GLU 318 Ca 0.50 0.76 0.00 0.00 0.02 0.00 0.00 54.97 56.25 3kqa s GLU 318 Cb -0.05 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.48 3kqa s GLU 318 CO 0.29 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.33 3kqa n GLY 319 N 4.01 -1.42 3.42 -1.39 0.00 -1.26 -1.51 105.19 107.03 3kqa n GLY 319 Ca 0.05 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 3kqa n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 320 N 0.00 3.24 0.10 2.61 2.01 -1.26 -1.20 115.64 121.14 3kqa s THR 320 Ca 0.00 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.42 3kqa s THR 320 Cb 0.00 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 3kqa s THR 320 CO 0.00 0.53 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.56 3kqa s GLY 321 N 0.18 0.76 -0.07 4.40 0.00 -0.76 -4.69 107.32 107.15 3kqa s GLY 321 Ca -0.06 -1.28 0.05 0.00 0.00 0.00 0.00 44.72 43.43 3kqa s GLY 321 CO 0.04 -1.38 -0.23 0.14 0.00 0.00 0.00 173.10 171.68 3kqa s VAL 322 N -3.27 1.90 -0.16 1.40 1.01 -1.18 -0.73 120.40 119.38 3kqa s VAL 322 Ca 0.09 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3kqa s VAL 322 Cb 0.03 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3kqa s VAL 322 CO -0.03 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 174.90 3kqa s ILE 323 N 0.02 3.53 -0.11 2.22 -1.09 -0.37 -1.13 121.20 124.27 3kqa s ILE 323 Ca -0.08 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 3kqa s ILE 323 Cb -0.14 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 3kqa s ILE 323 CO 0.05 0.49 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.16 3kqa s THR 324 N 0.61 1.75 -0.21 2.92 2.01 0.17 -0.57 115.64 122.32 3kqa s THR 324 Ca -0.04 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.05 3kqa s THR 324 Cb -0.15 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 3kqa s THR 324 CO 0.03 0.49 0.14 -1.61 -0.69 0.00 0.00 174.62 172.97 3kqa s GLU 325 N 0.74 4.13 0.00 4.92 0.41 -0.78 -0.77 118.70 127.36 3kqa s GLU 325 Ca -0.11 -0.25 0.00 0.00 -0.41 0.00 0.00 54.97 54.21 3kqa s GLU 325 Cb -0.16 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.74 3kqa s GLU 325 CO 0.02 0.21 0.48 0.25 -0.49 0.00 0.00 175.26 175.72 3kqa n THR 326 N 3.81 0.00 -0.13 3.63 -2.24 -1.25 -4.61 114.28 113.50 3kqa n THR 326 Ca -0.16 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 60.87 3kqa n THR 326 Cb 0.52 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.67 3kqa n THR 326 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3kqa n ILE 327 N -0.05 1.52 -3.66 2.28 2.08 -1.26 -4.87 119.36 115.40 3kqa n ILE 327 Ca 0.00 -0.26 -0.30 0.00 0.56 0.00 0.00 62.75 62.76 3kqa n ILE 327 Cb 0.01 -1.99 -0.14 0.00 -0.75 0.00 0.00 39.64 36.77 3kqa n ILE 327 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3kqa s PHE 328 N -2.58 1.40 -1.04 1.39 2.99 -1.26 -5.02 117.98 113.86 3kqa s PHE 328 Ca -0.36 -1.72 0.00 0.00 0.00 0.00 0.00 56.93 54.85 3kqa s PHE 328 Cb 0.12 -1.51 0.00 0.00 0.00 0.00 0.00 43.02 41.63 3kqa s PHE 328 CO 0.48 -0.85 0.47 0.39 -0.00 0.00 0.00 175.22 175.71 3kqa n GLU 329 N 4.56 0.90 -0.15 0.44 1.02 -1.26 -3.03 120.64 123.12 3kqa n GLU 329 Ca 0.01 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.19 3kqa n GLU 329 Cb 0.40 -1.43 0.06 0.00 -0.02 0.00 0.00 31.44 30.44 3kqa n GLU 329 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3kqa n ASN 330 N 0.03 1.40 -3.66 1.62 2.04 -1.26 -4.60 115.26 110.83 3kqa n ASN 330 Ca 0.00 -2.32 -0.41 0.00 -0.44 0.00 0.00 54.58 51.41 3kqa n ASN 330 Cb 0.22 -0.22 0.01 0.00 -2.53 0.00 0.00 39.78 37.25 3kqa n ASN 330 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 3kqa n ARG 331 N -0.70 5.11 -0.89 -3.83 0.63 -1.17 -4.60 116.66 111.22 3kqa n ARG 331 Ca 0.07 -4.38 0.04 0.00 -0.92 0.00 0.00 57.85 52.66 3kqa n ARG 331 Cb 0.55 -2.52 0.08 0.00 0.45 0.00 0.00 32.46 31.02 3kqa n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kqa n PHE 332 N 0.59 0.00 0.27 -0.14 0.99 -1.26 -4.82 117.46 113.09 3kqa n PHE 332 Ca 0.47 -0.70 0.12 0.00 -0.00 0.00 0.00 57.45 57.34 3kqa n PHE 332 Cb 0.27 -0.15 0.76 0.00 -1.00 0.00 0.00 39.48 39.36 3kqa n PHE 332 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 3kqa h MET 333 N 0.66 0.00 0.00 -1.08 2.86 -2.01 -1.45 114.93 113.92 3kqa h MET 333 Ca -0.10 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3kqa h MET 333 Cb 1.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.12 3kqa h MET 333 CO 0.04 0.06 -0.09 1.12 1.06 0.00 0.00 176.91 179.10 3kqa h HIS 334 N 0.00 0.00 0.08 -0.22 2.07 -1.91 -3.32 115.15 111.84 3kqa h HIS 334 Ca -0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3kqa h HIS 334 Cb 0.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 3kqa h HIS 334 CO 0.00 0.09 -0.04 0.28 -3.07 0.00 0.00 177.93 175.20 3kqa h VAL 335 N 0.00 1.07 -0.83 6.12 2.07 -1.65 -1.06 116.25 121.96 3kqa h VAL 335 Ca -0.00 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.08 3kqa h VAL 335 Cb 0.49 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3kqa h VAL 335 CO 0.01 0.13 0.54 -0.65 0.02 0.00 0.00 177.57 177.62 3kqa h PRO 336 N -0.33 0.89 -0.33 1.57 0.11 -1.74 0.14 132.00 132.31 3kqa h PRO 336 Ca -0.01 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3kqa h PRO 336 Cb 0.28 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3kqa h PRO 336 CO 0.02 0.59 0.13 0.93 -0.21 0.00 0.00 178.00 179.46 3kqa h GLU 337 N 0.92 0.49 0.00 1.05 4.39 -1.66 -1.66 114.58 118.10 3kqa h GLU 337 Ca 0.36 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.89 3kqa h GLU 337 Cb 0.22 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3kqa h GLU 337 CO -0.13 0.49 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.75 3kqa h LEU 338 N 0.38 0.00 -0.89 1.33 3.38 -0.16 -2.29 115.31 117.06 3kqa h LEU 338 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3kqa h LEU 338 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3kqa h LEU 338 CO -0.01 0.39 -0.26 0.40 0.09 0.00 0.00 178.44 179.04 3kqa h ILE 339 N 0.00 1.27 0.00 1.22 2.04 -0.38 -0.22 117.51 121.44 3kqa h ILE 339 Ca -0.00 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3kqa h ILE 339 Cb 0.70 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3kqa h ILE 339 CO 0.05 0.42 0.00 0.54 0.00 0.00 0.00 178.15 179.16 3kqa n ARG 340 N -4.11 0.14 -0.14 2.37 1.74 -0.66 -0.95 116.66 115.04 3kqa n ARG 340 Ca -0.00 0.33 0.11 0.00 -0.77 0.00 0.00 57.85 57.52 3kqa n ARG 340 Cb 0.42 -1.74 0.27 0.00 -1.02 0.00 0.00 32.46 30.39 3kqa n ARG 340 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kqa n MET 341 N -1.99 2.20 0.00 5.56 2.81 -0.30 -4.88 117.12 120.51 3kqa n MET 341 Ca 0.03 -1.80 0.00 0.00 -1.81 0.00 0.00 57.70 54.12 3kqa n MET 341 Cb 0.24 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 3kqa n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kqa n GLY 342 N 1.35 1.00 3.82 3.03 0.00 -0.13 0.46 105.19 114.73 3kqa n GLY 342 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3kqa n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 343 N -2.00 2.65 -0.24 4.61 0.00 -0.25 -4.94 121.76 121.59 3kqa s ALA 343 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.00 3kqa s ALA 343 Cb 0.00 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 20.02 3kqa s ALA 343 CO 0.00 -1.26 -0.09 -1.58 0.00 0.00 0.00 175.76 172.83 3kqa s HIS 344 N -3.07 2.77 0.23 0.00 2.46 -1.26 -4.51 115.29 111.90 3kqa s HIS 344 Ca 0.58 -1.96 -0.20 0.00 0.47 0.00 0.00 55.06 53.95 3kqa s HIS 344 Cb -0.14 -1.74 0.03 0.00 -0.13 0.00 0.00 32.58 30.60 3kqa s HIS 344 CO 0.55 -0.81 0.64 0.00 -2.47 0.00 0.00 174.74 172.64 3kqa s ALA 345 N 1.27 -1.20 -0.05 1.58 0.00 -1.26 -1.63 121.76 120.47 3kqa s ALA 345 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.77 3kqa s ALA 345 Cb -0.19 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.83 3kqa s ALA 345 CO -0.06 -0.92 -0.02 -1.21 0.00 0.00 0.00 175.76 173.55 3kqa s GLU 346 N -3.88 0.63 -0.21 0.00 8.01 -0.65 -4.98 118.70 117.64 3kqa s GLU 346 Ca 0.09 0.01 -0.19 0.00 0.01 0.00 0.00 54.97 54.89 3kqa s GLU 346 Cb -0.03 -0.81 -0.03 0.00 -4.31 0.00 0.00 34.13 28.95 3kqa s GLU 346 CO 0.00 -0.17 0.55 0.42 0.01 0.00 0.00 175.26 176.07 3kqa s ILE 347 N 1.33 5.08 -0.29 -1.63 1.01 -1.26 -0.65 121.20 124.78 3kqa s ILE 347 Ca -0.05 1.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 3kqa s ILE 347 Cb -0.13 -3.87 0.10 0.00 0.01 0.00 0.00 42.46 38.57 3kqa s ILE 347 CO -0.02 0.15 0.11 -1.61 0.00 0.00 0.00 174.94 173.56 3kqa s GLU 348 N 1.78 0.51 7.61 2.79 2.02 -0.20 -5.01 118.70 128.20 3kqa s GLU 348 Ca 0.25 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.41 3kqa s GLU 348 Cb -0.16 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.38 3kqa s GLU 348 CO 0.10 -0.98 0.00 0.45 0.02 0.00 0.00 175.26 174.85 3kqa n SER 349 N 5.01 0.00 -2.09 -0.19 2.88 -1.26 -2.41 113.62 115.56 3kqa n SER 349 Ca -0.04 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.37 3kqa n SER 349 Cb 0.42 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.14 3kqa n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3kqa n ASN 350 N 7.63 4.37 -4.23 -3.46 6.94 -1.26 -4.94 115.26 120.31 3kqa n ASN 350 Ca 0.00 -3.40 -0.14 0.00 -0.02 0.00 0.00 54.58 51.02 3kqa n ASN 350 Cb 0.00 -0.79 -0.10 0.00 -2.36 0.00 0.00 39.78 36.53 3kqa n ASN 350 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3kqa s THR 351 N -3.13 1.08 -0.14 5.53 -4.23 -1.01 -1.87 115.64 111.87 3kqa s THR 351 Ca 0.56 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3kqa s THR 351 Cb 0.46 -1.73 0.02 0.00 1.34 0.00 0.00 72.50 72.59 3kqa s THR 351 CO 0.12 -0.72 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.66 3kqa s VAL 352 N -3.16 1.54 -0.32 2.29 1.01 0.27 -1.04 120.40 120.99 3kqa s VAL 352 Ca 0.14 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.31 3kqa s VAL 352 Cb 0.02 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3kqa s VAL 352 CO -0.00 0.45 0.57 -0.63 0.00 0.00 0.00 175.10 175.49 3kqa s ILE 353 N 1.44 4.98 -0.10 2.22 -1.09 0.18 -1.24 121.20 127.58 3kqa s ILE 353 Ca 0.04 0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 59.04 3kqa s ILE 353 Cb -0.13 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 3kqa s ILE 353 CO -0.09 -0.16 0.06 0.00 -1.23 0.00 0.00 174.94 173.51 3kqa s HIS 355 N -0.86 2.43 0.28 0.00 3.76 -0.65 -1.83 115.29 118.42 3kqa s HIS 355 Ca 0.13 -2.15 -0.30 0.00 -0.15 0.00 0.00 55.06 52.59 3kqa s HIS 355 Cb -0.12 -2.11 -0.13 0.00 1.11 0.00 0.00 32.58 31.33 3kqa s HIS 355 CO 0.03 -0.89 1.26 0.41 -0.85 0.00 0.00 174.74 174.70 3kqa n GLY 356 N 4.64 0.43 3.62 -2.22 0.00 -0.34 -4.23 105.19 107.08 3kqa n GLY 356 Ca -0.01 0.41 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 3kqa n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqa s VAL 357 N -0.61 3.14 0.07 1.61 -7.23 -0.73 -4.68 120.40 111.96 3kqa s VAL 357 Ca 0.62 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.56 3kqa s VAL 357 Cb -0.65 -2.75 -0.16 0.00 0.56 0.00 0.00 36.38 33.38 3kqa s VAL 357 CO 0.56 -0.35 1.67 -0.08 -0.31 0.00 0.00 175.10 176.59 3kqa h GLU 358 N 1.93 -0.06 -3.23 4.82 4.81 -1.90 -3.40 114.58 117.55 3kqa h GLU 358 Ca -0.43 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.66 3kqa h GLU 358 Cb 1.25 0.01 -0.22 0.00 0.63 0.00 0.00 28.75 30.43 3kqa h GLU 358 CO 0.61 0.02 -0.39 0.21 -0.73 0.00 0.00 179.01 178.73 3kqa s LYS 359 N -5.92 0.50 0.38 1.92 2.20 -1.26 -5.02 119.74 112.53 3kqa s LYS 359 Ca -0.14 -0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.38 3kqa s LYS 359 Cb 0.05 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.57 3kqa s LYS 359 CO 0.66 -0.12 0.57 -0.51 -0.36 0.00 0.00 175.35 175.59 3kqa s LEU 360 N -0.93 3.89 0.00 5.43 1.43 -1.26 -4.94 118.68 122.30 3kqa s LEU 360 Ca -0.10 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.35 3kqa s LEU 360 Cb -0.05 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 3kqa s LEU 360 CO 0.02 -0.45 -0.25 -0.44 0.23 0.00 0.00 176.35 175.46 3kqa s SER 361 N -4.12 2.93 0.68 2.29 0.01 0.17 -0.32 113.70 115.35 3kqa s SER 361 Ca 0.43 -0.49 -0.17 0.00 1.31 0.00 0.00 55.95 57.04 3kqa s SER 361 Cb -0.10 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.82 3kqa s SER 361 CO 0.36 0.28 1.10 0.61 0.41 0.00 0.00 173.24 176.00 3kqa n GLY 362 N 2.25 -0.03 3.84 3.44 0.00 -0.45 -4.46 105.19 109.78 3kqa n GLY 362 Ca -0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 3kqa n GLY 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 363 N -1.63 -1.40 -0.29 4.61 0.00 -1.13 -4.87 121.76 117.06 3kqa s ALA 363 Ca 0.77 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.22 3kqa s ALA 363 Cb -0.37 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3kqa s ALA 363 CO 0.46 -1.04 0.53 -0.65 0.00 0.00 0.00 175.76 175.05 3kqa s GLN 364 N -2.51 3.93 0.16 0.00 -0.21 -1.26 -0.99 119.66 118.76 3kqa s GLN 364 Ca 0.18 0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.77 3kqa s GLN 364 Cb -0.03 -3.70 -0.05 0.00 1.00 0.00 0.00 33.01 30.23 3kqa s GLN 364 CO 0.06 -0.46 -0.06 0.14 -2.12 0.00 0.00 175.29 172.85 3kqa s VAL 365 N 2.37 0.96 -0.15 1.09 -7.23 -0.16 -4.95 120.40 112.33 3kqa s VAL 365 Ca 0.21 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.09 3kqa s VAL 365 Cb -0.15 -1.95 0.07 0.00 0.56 0.00 0.00 36.38 34.90 3kqa s VAL 365 CO 0.11 -0.65 0.67 -0.32 -0.31 0.00 0.00 175.10 174.59 3kqa s MET 366 N -3.81 0.91 -0.16 4.82 0.00 -1.26 -0.75 119.30 119.05 3kqa s MET 366 Ca 0.19 0.59 -0.13 0.00 0.00 0.00 0.00 55.69 56.34 3kqa s MET 366 Cb 0.04 0.43 0.05 0.00 0.00 0.00 0.00 34.83 35.35 3kqa s MET 366 CO 0.01 -0.20 0.41 0.00 0.00 0.00 0.00 175.02 175.25 3kqa s ALA 367 N -0.41 -1.03 -0.75 4.11 0.00 -1.26 -4.92 121.76 117.49 3kqa s ALA 367 Ca -0.06 1.27 0.24 0.00 0.00 0.00 0.00 51.96 53.42 3kqa s ALA 367 Cb -0.03 -0.75 0.40 0.00 0.00 0.00 0.00 23.12 22.75 3kqa s ALA 367 CO 0.05 -0.21 1.35 0.25 0.00 0.00 0.00 175.76 177.20 3kqa n THR 368 N 3.22 0.23 -3.00 0.00 -2.24 -1.26 -4.56 114.28 106.67 3kqa n THR 368 Ca -0.16 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 3kqa n THR 368 Cb 0.57 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.73 3kqa n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kqa s ASP 369 N -3.83 6.99 0.26 3.42 2.15 -1.26 -4.95 116.67 119.46 3kqa s ASP 369 Ca 0.08 1.20 -0.04 0.00 0.43 0.00 0.00 52.55 54.22 3kqa s ASP 369 Cb 0.15 -2.43 0.53 0.00 -0.30 0.00 0.00 42.92 40.87 3kqa s ASP 369 CO 0.71 -0.18 1.65 0.25 -0.17 0.00 0.00 175.17 177.43 3kqa h LEU 370 N 7.09 -0.16 -0.14 -1.34 5.85 -1.87 0.12 115.31 124.86 3kqa h LEU 370 Ca -0.39 0.19 -0.23 0.00 0.84 0.00 0.00 57.88 58.29 3kqa h LEU 370 Cb 1.19 0.29 0.01 0.00 0.37 0.00 0.00 40.66 42.51 3kqa h LEU 370 CO 0.77 -0.14 -0.93 0.03 -0.34 0.00 0.00 178.44 177.82 3kqa h ARG 371 N 0.17 0.55 -0.42 1.25 2.47 -1.93 -2.15 114.38 114.32 3kqa h ARG 371 Ca 0.46 -0.56 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 3kqa h ARG 371 Cb 0.85 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.31 3kqa h ARG 371 CO -0.63 1.18 -0.24 0.00 0.56 0.00 0.00 179.97 180.84 3kqa h ALA 372 N 0.63 0.77 -0.34 0.04 0.00 -1.81 -1.37 119.26 117.17 3kqa h ALA 372 Ca -0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3kqa h ALA 372 Cb 1.57 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3kqa h ALA 372 CO 0.17 0.66 0.15 1.03 0.00 0.00 0.00 179.25 181.26 3kqa h SER 373 N 0.76 0.46 -0.67 0.00 0.87 -0.75 -1.09 113.55 113.12 3kqa h SER 373 Ca 0.10 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3kqa h SER 373 Cb 0.79 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 3kqa h SER 373 CO 0.07 0.48 0.32 0.00 -0.53 0.00 0.00 176.83 177.17 3kqa h ALA 374 N 1.00 1.26 -0.62 6.23 0.00 -1.27 -1.61 119.26 124.26 3kqa h ALA 374 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kqa h ALA 374 Cb 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kqa h ALA 374 CO -0.01 0.56 0.36 0.77 0.00 0.00 0.00 179.25 180.93 3kqa h SER 375 N 0.99 0.74 -0.47 0.00 0.02 -0.58 -1.53 113.55 112.71 3kqa h SER 375 Ca 0.24 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 3kqa h SER 375 Cb 0.12 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3kqa h SER 375 CO -0.03 0.58 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.00 3kqa h LEU 376 N 0.85 0.99 -0.38 5.07 3.38 -0.29 -0.20 115.31 124.72 3kqa h LEU 376 Ca 0.22 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3kqa h LEU 376 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3kqa h LEU 376 CO -0.04 1.14 0.22 0.58 0.09 0.00 0.00 178.44 180.42 3kqa h VAL 377 N 0.85 1.14 -0.75 1.22 2.07 -0.84 0.11 116.25 120.05 3kqa h VAL 377 Ca 0.12 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kqa h VAL 377 Cb 0.74 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3kqa h VAL 377 CO 0.06 0.14 0.45 -0.07 0.02 0.00 0.00 177.57 178.17 3kqa h LEU 378 N 0.49 0.91 -0.63 2.57 3.38 -1.13 -1.03 115.31 119.87 3kqa h LEU 378 Ca 0.14 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3kqa h LEU 378 Cb 0.04 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3kqa h LEU 378 CO -0.02 0.71 0.35 0.00 0.09 0.00 0.00 178.44 179.57 3kqa h ALA 379 N 1.24 0.83 -0.93 1.53 0.00 -0.52 -1.47 119.26 119.94 3kqa h ALA 379 Ca 0.27 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3kqa h ALA 379 Cb -0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3kqa h ALA 379 CO -0.05 0.04 0.61 0.78 0.00 0.00 0.00 179.25 180.63 3kqa h GLY 380 N 0.67 1.34 1.60 0.00 0.00 0.38 -0.35 103.07 106.71 3kqa h GLY 380 Ca 0.28 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3kqa h GLY 380 CO -0.16 0.40 0.19 0.00 0.00 0.00 0.00 176.54 176.97 3kqa n ILE 382 N -4.42 0.00 -1.85 0.00 -5.35 -0.84 -0.88 119.36 106.01 3kqa n ILE 382 Ca 0.03 -0.20 -0.31 0.00 -0.27 0.00 0.00 62.75 62.00 3kqa n ILE 382 Cb 0.11 1.19 0.01 0.00 -1.74 0.00 0.00 39.64 39.21 3kqa n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqa s ALA 383 N -2.60 3.06 -0.19 -1.28 0.00 -0.20 -4.47 121.76 116.09 3kqa s ALA 383 Ca 0.16 -0.07 -0.27 0.00 0.00 0.00 0.00 51.96 51.78 3kqa s ALA 383 Cb 0.18 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 3kqa s ALA 383 CO 0.64 -0.73 0.94 -2.00 0.00 0.00 0.00 175.76 174.61 3kqa s GLU 384 N -5.14 4.29 0.97 0.00 2.56 0.57 -2.37 118.70 119.57 3kqa s GLU 384 Ca 0.55 1.21 0.00 0.00 0.00 0.00 0.00 54.97 56.73 3kqa s GLU 384 Cb -0.11 -3.60 0.00 0.00 2.00 0.00 0.00 34.13 32.42 3kqa s GLU 384 CO 0.54 -0.46 0.00 0.41 -0.56 0.00 0.00 175.26 175.18 3kqa n GLY 385 N 3.38 -0.30 3.69 -1.50 0.00 -0.91 -1.34 105.19 108.20 3kqa n GLY 385 Ca 0.08 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 3kqa n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqa s THR 386 N 0.00 4.45 -0.03 2.61 2.01 -1.26 -1.61 115.64 121.80 3kqa s THR 386 Ca 0.00 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 61.87 3kqa s THR 386 Cb 0.00 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 3kqa s THR 386 CO 0.00 0.59 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.41 3kqa s THR 387 N -0.69 1.73 -0.25 -0.82 2.01 -0.30 -2.85 115.64 114.47 3kqa s THR 387 Ca 0.11 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3kqa s THR 387 Cb -0.12 -1.45 0.04 0.00 0.01 0.00 0.00 72.50 70.98 3kqa s THR 387 CO 0.02 0.49 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.66 3kqa s VAL 388 N -0.27 2.52 -0.35 3.82 1.01 -0.16 -0.91 120.40 126.05 3kqa s VAL 388 Ca 0.02 -1.29 -0.14 0.00 0.00 0.00 0.00 61.98 60.56 3kqa s VAL 388 Cb -0.11 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3kqa s VAL 388 CO 0.01 0.12 0.32 -0.69 0.00 0.00 0.00 175.10 174.86 3kqa s VAL 389 N 1.23 5.21 0.52 2.92 1.01 -0.27 -0.98 120.40 130.04 3kqa s VAL 389 Ca -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 3kqa s VAL 389 Cb -0.18 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 3kqa s VAL 389 CO -0.05 -0.10 0.82 -0.62 0.00 0.00 0.00 175.10 175.15 3kqa s ASP 390 N 1.73 5.93 -1.33 3.32 2.15 0.08 -1.38 116.67 127.17 3kqa s ASP 390 Ca 0.09 0.76 -0.04 0.00 0.43 0.00 0.00 52.55 53.79 3kqa s ASP 390 Cb -0.17 -1.94 0.02 0.00 -0.30 0.00 0.00 42.92 40.53 3kqa s ASP 390 CO 0.11 -0.79 0.92 0.54 -0.17 0.00 0.00 175.17 175.79 3kqa n ARG 391 N -2.37 -6.05 0.00 4.34 5.12 -1.16 -4.44 116.66 112.11 3kqa n ARG 391 Ca 0.02 0.72 0.12 0.00 -1.93 0.00 0.00 57.85 56.78 3kqa n ARG 391 Cb 0.56 -5.55 0.70 0.00 -1.16 0.00 0.00 32.46 27.02 3kqa n ARG 391 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3kqa n ILE 392 N -4.45 0.00 0.25 0.55 -6.64 -1.21 -3.13 119.36 104.74 3kqa n ILE 392 Ca -0.18 0.00 0.14 0.00 -1.77 0.00 0.00 62.75 60.94 3kqa n ILE 392 Cb 0.63 -0.57 0.71 0.00 -1.44 0.00 0.00 39.64 38.96 3kqa n ILE 392 CO 0.00 0.00 0.00 0.10 -1.77 0.00 0.00 176.55 174.88 3kqa h TYR 393 N 0.00 0.00 -0.26 4.28 -0.00 -1.90 -0.48 116.97 118.61 3kqa h TYR 393 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.66 3kqa h TYR 393 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 3kqa h TYR 393 CO 0.00 0.00 -0.11 0.45 -0.00 0.00 0.00 178.16 178.50 3kqa h HIS 394 N 0.00 0.61 -0.30 0.10 3.86 -1.91 -2.48 115.15 115.03 3kqa h HIS 394 Ca 0.00 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 3kqa h HIS 394 Cb 0.10 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3kqa h HIS 394 CO 0.00 0.78 0.12 0.82 0.86 0.00 0.00 177.93 180.51 3kqa h ILE 395 N 0.27 1.18 -0.84 2.45 2.04 -1.37 -2.78 117.51 118.46 3kqa h ILE 395 Ca 0.06 -0.56 0.21 0.00 1.00 0.00 0.00 64.86 65.57 3kqa h ILE 395 Cb 0.62 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3kqa h ILE 395 CO 0.04 0.19 0.58 0.44 0.00 0.00 0.00 178.15 179.39 3kqa h ASP 396 N 0.33 0.25 1.82 1.72 3.32 -1.21 0.11 116.42 122.77 3kqa h ASP 396 Ca 0.10 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kqa h ASP 396 Cb 0.19 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kqa h ASP 396 CO -0.01 0.11 0.00 0.03 -1.72 0.00 0.00 179.24 177.65 3kqa h ARG 397 N 0.26 0.00 0.00 3.56 3.08 -1.15 -3.37 114.38 116.76 3kqa h ARG 397 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3kqa h ARG 397 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3kqa h ARG 397 CO -0.11 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.20 3kqa n GLY 398 N 1.01 0.19 3.18 0.04 0.00 -0.40 -4.67 105.19 104.54 3kqa n GLY 398 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3kqa n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqa s TYR 399 N -0.57 1.55 -0.38 1.61 1.51 0.26 -4.97 117.35 116.36 3kqa s TYR 399 Ca 0.00 -0.32 -0.20 0.00 -1.01 0.00 0.00 57.07 55.53 3kqa s TYR 399 Cb 0.00 -0.97 0.01 0.00 -0.11 0.00 0.00 41.96 40.89 3kqa s TYR 399 CO 0.00 0.02 0.64 -2.00 -1.11 0.00 0.00 175.55 173.09 3kqa s GLU 400 N -0.74 3.56 -0.74 -0.62 2.12 -1.26 -4.51 118.70 116.52 3kqa s GLU 400 Ca 0.06 -0.08 -0.14 0.00 0.36 0.00 0.00 54.97 55.18 3kqa s GLU 400 Cb -0.07 -3.85 0.02 0.00 0.26 0.00 0.00 34.13 30.48 3kqa s GLU 400 CO 0.00 -0.82 0.46 0.54 -0.54 0.00 0.00 175.26 174.91 3kqa n ARG 401 N 6.11 -0.75 -0.12 4.30 1.74 -1.26 -4.83 116.66 121.85 3kqa n ARG 401 Ca -0.01 0.19 -0.01 0.00 -0.77 0.00 0.00 57.85 57.24 3kqa n ARG 401 Cb 0.48 -1.52 0.23 0.00 -1.02 0.00 0.00 32.46 30.64 3kqa n ARG 401 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3kqa h ILE 402 N -0.51 1.21 -0.17 0.55 2.10 -1.94 -2.69 117.51 116.05 3kqa h ILE 402 Ca -0.49 -0.69 -0.10 0.00 1.08 0.00 0.00 64.86 64.66 3kqa h ILE 402 Cb 1.01 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 3kqa h ILE 402 CO 0.32 0.26 -0.31 1.05 -1.08 0.00 0.00 178.15 178.40 3kqa h GLU 403 N 0.77 0.34 -0.54 2.19 9.09 -1.98 0.49 114.58 124.95 3kqa h GLU 403 Ca 0.18 -0.14 -0.05 0.00 0.05 0.00 0.00 59.36 59.41 3kqa h GLU 403 Cb 0.21 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.27 3kqa h GLU 403 CO -0.01 0.62 0.15 -0.44 0.05 0.00 0.00 179.01 179.38 3kqa h ASP 404 N 0.30 0.79 -0.03 3.06 5.19 -1.85 -0.12 116.42 123.76 3kqa h ASP 404 Ca 0.04 -0.22 -0.15 0.00 -0.62 0.00 0.00 57.03 56.08 3kqa h ASP 404 Cb 0.70 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 3kqa h ASP 404 CO 0.05 0.80 -0.47 0.11 -3.12 0.00 0.00 179.24 176.62 3kqa h LYS 405 N 0.75 0.58 -0.39 3.56 1.57 -1.19 -2.66 116.57 118.79 3kqa h LYS 405 Ca 0.17 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 3kqa h LYS 405 Cb 0.31 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3kqa h LYS 405 CO -0.00 0.93 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.47 3kqa h LEU 406 N 0.47 0.90 -1.47 2.94 3.38 -0.73 -3.00 115.31 117.80 3kqa h LEU 406 Ca 0.03 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.60 3kqa h LEU 406 Cb 1.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3kqa h LEU 406 CO 0.09 1.14 0.40 -0.09 0.09 0.00 0.00 178.44 180.07 3kqa h ARG 407 N 0.67 0.67 0.00 1.13 2.43 -0.92 0.19 114.38 118.54 3kqa h ARG 407 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3kqa h ARG 407 Cb 0.84 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3kqa h ARG 407 CO 0.07 0.44 0.00 0.00 -1.51 0.00 0.00 179.97 178.97 3kqa h ALA 408 N 1.65 1.00 -0.02 2.80 0.00 -1.34 -2.17 119.26 121.19 3kqa h ALA 408 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kqa h ALA 408 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kqa h ALA 408 CO -0.07 0.00 -0.05 1.28 0.00 0.00 0.00 179.25 180.41 3kqa n LEU 409 N -2.88 1.74 0.00 0.00 4.77 0.59 -4.78 117.00 116.44 3kqa n LEU 409 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3kqa n LEU 409 Cb 0.33 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3kqa n LEU 409 CO 0.27 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3kqa n GLY 410 N 1.24 0.91 3.76 -0.72 0.00 -0.82 0.62 105.19 110.18 3kqa n GLY 410 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3kqa n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqa s ALA 411 N -2.00 3.42 -0.68 4.61 0.00 -0.79 -4.80 121.76 121.52 3kqa s ALA 411 Ca 0.00 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 52.72 3kqa s ALA 411 Cb 0.00 -3.35 0.13 0.00 0.00 0.00 0.00 23.12 19.89 3kqa s ALA 411 CO 0.00 -0.24 0.78 1.21 0.00 0.00 0.00 175.76 177.51 3kqa s ASN 412 N -0.67 6.35 -0.00 0.00 3.84 -1.26 -4.35 114.94 118.84 3kqa s ASN 412 Ca 0.46 -1.74 -0.00 0.00 0.21 0.00 0.00 52.86 51.79 3kqa s ASN 412 Cb -0.33 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 3kqa s ASN 412 CO 0.41 -1.02 0.01 -0.51 -2.79 0.00 0.00 177.10 173.21 3kqa s ILE 413 N 2.27 -0.00 0.02 -5.21 2.07 -1.26 -1.12 121.20 117.97 3kqa s ILE 413 Ca 0.16 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 3kqa s ILE 413 Cb -0.19 -0.03 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 3kqa s ILE 413 CO 0.01 0.01 -0.03 -1.83 -1.91 0.00 0.00 174.94 171.18 3kqa s GLU 414 N 0.07 0.34 -0.09 3.50 -1.05 -0.42 -4.98 118.70 116.07 3kqa s GLU 414 Ca -0.01 -0.64 -0.11 0.00 -0.15 0.00 0.00 54.97 54.06 3kqa s GLU 414 Cb -0.01 0.08 -0.05 0.00 -0.44 0.00 0.00 34.13 33.72 3kqa s GLU 414 CO -0.00 -0.04 0.27 0.50 0.95 0.00 0.00 175.26 176.93 3kqa s ARG 415 N -1.54 3.80 -0.21 -4.83 3.52 -1.26 -0.38 118.95 118.05 3kqa s ARG 415 Ca -0.15 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 3kqa s ARG 415 Cb -0.09 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 3kqa s ARG 415 CO -0.01 0.62 -0.14 0.08 -0.81 0.00 0.00 175.30 175.04 3kqa s VAL 416 N -0.70 2.40 0.95 7.11 1.01 -0.26 -4.95 120.40 125.96 3kqa s VAL 416 Ca 0.18 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 3kqa s VAL 416 Cb -0.14 -2.13 0.22 0.00 0.00 0.00 0.00 36.38 34.33 3kqa s VAL 416 CO 0.07 0.37 1.30 0.29 0.00 0.00 0.00 175.10 177.13 3kqa n LYS 417 N 4.62 -1.12 0.00 2.72 4.76 -1.26 -1.67 118.16 126.21 3kqa n LYS 417 Ca -0.19 -2.21 0.00 0.00 -2.87 0.00 0.00 58.31 53.04 3kqa n LYS 417 Cb 0.48 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3kqa n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kqa n GLY 418 N -3.69 0.57 0.00 0.72 0.00 -1.26 -4.75 105.19 96.78 3kqa n GLY 418 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kqa n GLY 418 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48