#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koq h PHE 3 N 0.00 0.41 -0.19 -2.53 3.57 -2.05 -1.65 116.94 114.49 3koq h PHE 3 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3koq h PHE 3 Cb 0.00 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3koq h PHE 3 CO 0.00 0.19 -0.10 -0.24 -2.23 0.00 0.00 178.31 175.93 3koq h VAL 4 N 0.44 1.18 -0.08 1.41 3.04 -2.05 0.14 116.25 120.33 3koq h VAL 4 Ca 0.21 -0.78 -0.18 0.00 -1.01 0.00 0.00 66.70 64.93 3koq h VAL 4 Cb 0.14 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 3koq h VAL 4 CO -0.16 0.25 -0.71 -0.33 -1.01 0.00 0.00 177.57 175.61 3koq h GLU 5 N 0.29 0.41 -0.10 4.17 4.39 -1.86 0.21 114.58 122.08 3koq h GLU 5 Ca 0.06 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3koq h GLU 5 Cb 0.37 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3koq h GLU 5 CO 0.02 0.96 0.06 1.25 -1.16 0.00 0.00 179.01 180.14 3koq h LEU 6 N 0.28 0.10 -0.98 1.33 5.85 -0.92 -0.91 115.31 120.06 3koq h LEU 6 Ca -0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3koq h LEU 6 Cb 1.28 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3koq h LEU 6 CO 0.12 0.07 -0.17 0.00 -0.34 0.00 0.00 178.44 178.13 3koq h ALA 7 N 1.05 1.14 -0.53 1.25 0.00 -0.78 -2.45 119.26 118.93 3koq h ALA 7 Ca 0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3koq h ALA 7 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3koq h ALA 7 CO -0.02 0.54 -0.12 0.87 0.00 0.00 0.00 179.25 180.52 3koq h LYS 8 N 0.50 1.02 0.00 0.00 1.57 -0.87 -3.29 116.57 115.50 3koq h LYS 8 Ca 0.08 -0.38 -0.16 0.00 -1.87 0.00 0.00 60.65 58.33 3koq h LYS 8 Cb 0.58 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3koq h LYS 8 CO 0.04 1.07 -0.74 1.57 -0.57 0.00 0.00 179.45 180.81 3koq h LYS 9 N 0.90 0.00 -6.46 3.15 2.10 -0.96 -3.39 116.57 111.91 3koq h LYS 9 Ca 0.14 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.19 3koq h LYS 9 Cb 0.69 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.07 3koq h LYS 9 CO 0.05 0.74 0.80 -2.13 -2.00 0.00 0.00 179.45 176.91 3koq n ARG 10 N -3.43 2.06 -4.12 0.07 0.63 -0.94 -4.86 116.66 106.07 3koq n ARG 10 Ca 0.00 0.75 -0.11 0.00 -0.92 0.00 0.00 57.85 57.57 3koq n ARG 10 Cb 0.78 -2.51 -0.08 0.00 0.45 0.00 0.00 32.46 31.10 3koq n ARG 10 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 3koq s TYR 11 N 1.20 0.86 -0.46 -0.14 1.13 -1.26 -5.00 117.35 113.68 3koq s TYR 11 Ca 0.81 -1.14 -0.28 0.00 -1.41 0.00 0.00 57.07 55.05 3koq s TYR 11 Cb -0.71 -0.28 0.03 0.00 -1.10 0.00 0.00 41.96 39.90 3koq s TYR 11 CO 0.40 -0.77 1.06 -1.12 -2.51 0.00 0.00 175.55 172.61 3koq s SER 12 N -3.11 6.62 -0.20 -0.18 0.01 -1.26 -4.40 113.70 111.18 3koq s SER 12 Ca 0.33 0.41 -0.12 0.00 1.31 0.00 0.00 55.95 57.88 3koq s SER 12 Cb 0.04 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 3koq s SER 12 CO 0.11 -1.14 0.22 0.00 0.41 0.00 0.00 173.24 172.83 3koq n ARG 14 N 3.88 1.42 -3.65 0.00 1.74 -1.26 -4.29 116.66 114.51 3koq n ARG 14 Ca -0.14 -2.07 -0.07 0.00 -0.77 0.00 0.00 57.85 54.80 3koq n ARG 14 Cb 0.52 -1.23 -0.09 0.00 -1.02 0.00 0.00 32.46 30.64 3koq n ARG 14 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3koq s ASN 15 N -2.13 -0.37 0.12 0.55 3.84 -1.26 -4.86 114.94 110.83 3koq s ASN 15 Ca 0.20 1.06 0.11 0.00 0.21 0.00 0.00 52.86 54.44 3koq s ASN 15 Cb 0.18 1.48 -0.04 0.00 -0.55 0.00 0.00 41.25 42.32 3koq s ASN 15 CO 0.02 -0.23 -0.27 -0.31 -2.79 0.00 0.00 177.10 173.52 3koq s TYR 16 N 2.65 2.29 1.03 0.43 2.02 -1.26 -1.63 117.35 122.88 3koq s TYR 16 Ca -0.02 -0.38 -0.12 0.00 -0.37 0.00 0.00 57.07 56.18 3koq s TYR 16 Cb -0.12 -1.25 0.21 0.00 -0.40 0.00 0.00 41.96 40.40 3koq s TYR 16 CO -0.14 0.32 1.08 -0.65 -1.57 0.00 0.00 175.55 174.59 3koq s GLN 17 N -2.00 0.13 0.48 -0.62 -0.21 0.13 -4.68 119.66 112.89 3koq s GLN 17 Ca 0.14 1.10 0.25 0.00 0.02 0.00 0.00 55.36 56.86 3koq s GLN 17 Cb -0.10 -1.66 1.17 0.00 1.00 0.00 0.00 33.01 33.43 3koq s GLN 17 CO 0.06 -3.09 1.95 -0.44 -2.12 0.00 0.00 175.29 171.64 3koq h ASP 18 N -2.18 0.00 -1.81 5.90 3.32 -1.93 -3.44 116.42 116.28 3koq h ASP 18 Ca -0.53 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 55.86 3koq h ASP 18 Cb 1.30 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.91 3koq h ASP 18 CO 0.48 0.19 0.51 -1.14 -1.72 0.00 0.00 179.24 177.56 3koq n ARG 19 N -3.55 1.35 -2.11 3.56 0.63 -1.26 -4.92 116.66 110.36 3koq n ARG 19 Ca -0.01 0.49 -0.32 0.00 -0.92 0.00 0.00 57.85 57.09 3koq n ARG 19 Cb 0.33 -2.15 -0.01 0.00 0.45 0.00 0.00 32.46 31.09 3koq n ARG 19 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3koq s LYS 20 N 0.52 3.62 -0.10 -0.14 -0.14 -1.26 -4.56 119.74 117.68 3koq s LYS 20 Ca 0.83 0.96 -0.30 0.00 -1.36 0.00 0.00 55.97 56.10 3koq s LYS 20 Cb -0.89 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 33.15 3koq s LYS 20 CO 0.45 -0.55 1.13 0.08 -0.76 0.00 0.00 175.35 175.70 3koq s VAL 21 N -2.76 4.47 0.38 3.17 1.01 -1.26 -5.00 120.40 120.42 3koq s VAL 21 Ca 0.59 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 64.07 3koq s VAL 21 Cb -0.12 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 3koq s VAL 21 CO 0.40 -0.03 1.41 -1.61 0.00 0.00 0.00 175.10 175.27 3koq s GLU 22 N 2.35 4.08 0.30 2.72 8.01 -1.26 -4.84 118.70 130.06 3koq s GLU 22 Ca 0.52 2.41 0.06 0.00 0.01 0.00 0.00 54.97 57.97 3koq s GLU 22 Cb -0.21 -2.91 0.79 0.00 -4.31 0.00 0.00 34.13 27.48 3koq s GLU 22 CO 0.18 -0.49 1.73 -0.22 0.01 0.00 0.00 175.26 176.48 3koq h LYS 23 N 2.94 0.56 -0.46 1.61 3.64 -2.00 -1.49 116.57 121.36 3koq h LYS 23 Ca -0.50 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 3koq h LYS 23 Cb 1.24 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 3koq h LYS 23 CO 0.64 0.37 0.10 0.93 -2.27 0.00 0.00 179.45 179.22 3koq h GLU 24 N 0.57 0.70 0.03 1.90 3.07 -2.00 -1.00 114.58 117.86 3koq h GLU 24 Ca 0.59 -0.13 -0.19 0.00 -0.50 0.00 0.00 59.36 59.13 3koq h GLU 24 Cb 1.07 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 28.89 3koq h GLU 24 CO -0.46 0.65 -0.78 0.87 -1.40 0.00 0.00 179.01 177.89 3koq h LYS 25 N 0.68 0.46 -0.75 2.33 1.57 -1.67 -2.95 116.57 116.25 3koq h LYS 25 Ca 0.15 -0.55 0.13 0.00 -1.87 0.00 0.00 60.65 58.51 3koq h LYS 25 Cb 0.27 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 3koq h LYS 25 CO -0.00 1.19 0.33 1.25 -0.57 0.00 0.00 179.45 181.65 3koq h LEU 26 N -0.02 0.36 -0.71 2.94 5.85 -1.12 -1.69 115.31 120.91 3koq h LEU 26 Ca -0.11 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3koq h LEU 26 Cb 1.49 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 3koq h LEU 26 CO 0.15 0.16 0.14 -0.33 -0.34 0.00 0.00 178.44 178.23 3koq h GLU 27 N 0.51 1.12 -0.86 1.25 5.08 -1.19 0.13 114.58 120.62 3koq h GLU 27 Ca 0.40 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3koq h GLU 27 Cb 0.55 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 3koq h GLU 27 CO -0.36 1.01 0.43 0.87 -1.00 0.00 0.00 179.01 179.96 3koq h LYS 28 N 1.06 1.23 -0.17 2.33 1.57 -1.28 0.10 116.57 121.41 3koq h LYS 28 Ca 0.21 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3koq h LYS 28 Cb 0.41 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3koq h LYS 28 CO 0.01 0.94 0.06 0.28 -0.57 0.00 0.00 179.45 180.17 3koq h VAL 29 N 1.23 1.16 -0.59 0.50 2.07 -0.36 -2.86 116.25 117.40 3koq h VAL 29 Ca 0.30 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3koq h VAL 29 Cb 0.10 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3koq h VAL 29 CO -0.04 0.15 0.26 -0.07 0.02 0.00 0.00 177.57 177.89 3koq h LEU 30 N 0.11 0.77 -0.82 2.57 3.38 -0.50 -2.98 115.31 117.84 3koq h LEU 30 Ca 0.05 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.09 3koq h LEU 30 Cb 0.18 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 3koq h LEU 30 CO -0.00 0.68 0.39 0.44 0.09 0.00 0.00 178.44 180.03 3koq h ASP 31 N 0.84 0.43 1.18 -0.43 3.32 -0.74 -0.66 116.42 120.37 3koq h ASP 31 Ca 0.20 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3koq h ASP 31 Cb 0.14 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3koq h ASP 31 CO -0.02 0.16 0.00 -0.37 -1.72 0.00 0.00 179.24 177.29 3koq h VAL 32 N 0.54 0.00 -0.17 -1.35 -1.51 -1.52 -2.57 116.25 109.67 3koq h VAL 32 Ca 0.46 -0.54 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 3koq h VAL 32 Cb 0.69 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 3koq h VAL 32 CO -0.39 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 175.89 3koq h ALA 33 N 2.10 1.59 0.15 5.19 0.00 -1.18 -2.05 119.26 125.06 3koq h ALA 33 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.46 3koq h ALA 33 Cb 0.59 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.33 3koq h ALA 33 CO 0.00 0.30 -1.25 -0.09 0.00 0.00 0.00 179.25 178.22 3koq h ARG 34 N 0.25 0.58 -0.07 0.00 2.43 -1.49 -3.36 114.38 112.73 3koq h ARG 34 Ca 0.06 -0.83 -0.10 0.00 -0.81 0.00 0.00 59.98 58.30 3koq h ARG 34 Cb 0.27 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3koq h ARG 34 CO 0.01 1.38 -0.41 0.82 -1.51 0.00 0.00 179.97 180.26 3koq h ILE 35 N 0.19 1.31 -3.01 1.20 1.08 -1.39 -3.45 117.51 113.44 3koq h ILE 35 Ca -0.20 -1.49 -0.58 0.00 -0.39 0.00 0.00 64.86 62.20 3koq h ILE 35 Cb 1.93 1.71 0.13 0.00 -3.07 0.00 0.00 36.82 37.52 3koq h ILE 35 CO 0.24 0.44 0.20 0.00 -0.69 0.00 0.00 178.15 178.33 3koq n ALA 36 N -2.47 0.26 -1.81 1.87 0.00 -0.78 -5.00 120.51 112.58 3koq n ALA 36 Ca -0.02 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.38 3koq n ALA 36 Cb 0.47 -2.09 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 3koq n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3koq s PRO 37 N -1.94 3.68 0.05 0.00 0.04 -1.26 -5.02 135.00 130.55 3koq s PRO 37 Ca 0.62 0.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 3koq s PRO 37 Cb -0.58 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 3koq s PRO 37 CO 0.58 -0.50 -0.04 0.95 0.04 0.00 0.00 177.00 178.03 3koq s THR 38 N -2.85 0.29 0.15 1.26 -4.23 -1.26 -4.78 115.64 104.22 3koq s THR 38 Ca 0.58 -1.54 -0.32 0.00 -1.18 0.00 0.00 61.69 59.23 3koq s THR 38 Cb -0.11 -1.16 -0.11 0.00 1.34 0.00 0.00 72.50 72.46 3koq s THR 38 CO 0.42 -0.81 1.78 0.61 -0.54 0.00 0.00 174.62 176.09 3koq n GLY 39 N 0.57 1.58 2.55 3.99 0.00 -1.26 -0.83 105.19 111.79 3koq n GLY 39 Ca -0.17 0.68 -0.03 0.00 0.00 0.00 0.00 46.02 46.51 3koq n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koq n GLY 40 N 4.09 0.43 3.00 -0.02 0.00 -1.26 -1.82 105.19 109.61 3koq n GLY 40 Ca 0.17 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 3koq n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3koq n ASN 41 N -0.48 -3.84 0.26 1.61 5.15 -0.01 -4.85 115.26 113.09 3koq n ASN 41 Ca -0.03 -0.15 0.14 0.00 -0.60 0.00 0.00 54.58 53.94 3koq n ASN 41 Cb 0.32 -3.20 0.63 0.00 -0.53 0.00 0.00 39.78 37.00 3koq n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3koq h ARG 42 N -0.64 0.00 -6.78 1.20 2.47 -1.53 -3.48 114.38 105.63 3koq h ARG 42 Ca -0.37 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 57.79 3koq h ARG 42 Cb 1.26 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.58 3koq h ARG 42 CO 0.45 0.10 -1.00 1.04 0.56 0.00 0.00 179.97 181.12 3koq n GLN 43 N -3.26 -0.56 0.00 0.04 6.02 -1.26 -4.82 117.38 113.53 3koq n GLN 43 Ca -0.00 0.23 0.14 0.00 -0.01 0.00 0.00 57.00 57.37 3koq n GLN 43 Cb 0.33 -2.81 0.65 0.00 1.02 0.00 0.00 30.24 29.44 3koq n GLN 43 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3koq n PRO 44 N -4.60 0.96 -2.32 -1.09 -0.04 -1.26 -4.92 135.00 121.73 3koq n PRO 44 Ca -0.13 -0.35 -0.41 0.00 -0.04 0.00 0.00 63.50 62.58 3koq n PRO 44 Cb 0.58 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 3koq n PRO 44 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3koq s GLN 45 N -2.28 4.51 -0.08 0.54 0.00 -1.26 -0.58 119.66 120.51 3koq s GLN 45 Ca 0.34 1.98 -0.03 0.00 -0.00 0.00 0.00 55.36 57.66 3koq s GLN 45 Cb 0.21 -3.14 0.04 0.00 0.00 0.00 0.00 33.01 30.11 3koq s GLN 45 CO 0.43 0.02 0.06 0.50 0.00 0.00 0.00 175.29 176.30 3koq s ARG 46 N -1.50 0.09 -0.05 9.60 6.06 0.20 -4.90 118.95 128.45 3koq s ARG 46 Ca 0.47 0.20 0.01 0.00 -2.50 0.00 0.00 55.73 53.92 3koq s ARG 46 Cb -0.35 -0.93 -0.03 0.00 0.06 0.00 0.00 34.95 33.69 3koq s ARG 46 CO 0.46 -0.41 -0.05 -0.51 -2.50 0.00 0.00 175.30 172.28 3koq s LEU 47 N 2.12 3.25 -0.21 -0.88 1.02 -1.26 -0.09 118.68 122.62 3koq s LEU 47 Ca 0.04 -0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.17 3koq s LEU 47 Cb -0.13 -1.76 0.05 0.00 0.02 0.00 0.00 46.19 44.36 3koq s LEU 47 CO -0.05 0.34 -0.10 -0.63 0.02 0.00 0.00 176.35 175.93 3koq s ILE 48 N -0.89 1.71 -0.05 -0.59 1.01 -0.19 -4.99 121.20 117.22 3koq s ILE 48 Ca 0.14 -1.10 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 3koq s ILE 48 Cb -0.11 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 3koq s ILE 48 CO 0.04 0.14 0.95 -0.69 0.00 0.00 0.00 174.94 175.37 3koq s VAL 49 N 1.36 4.86 -0.24 2.92 1.01 -1.26 -1.34 120.40 127.71 3koq s VAL 49 Ca -0.02 1.96 0.01 0.00 0.00 0.00 0.00 61.98 63.92 3koq s VAL 49 Cb -0.17 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.00 3koq s VAL 49 CO -0.08 0.11 -0.03 -0.63 0.00 0.00 0.00 175.10 174.47 3koq s ILE 50 N 1.38 1.45 0.00 2.22 1.01 0.69 -4.92 121.20 123.04 3koq s ILE 50 Ca 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3koq s ILE 50 Cb -0.19 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.50 3koq s ILE 50 CO 0.23 -0.16 0.31 0.00 0.00 0.00 0.00 174.94 175.31 3koq n GLN 51 N 4.69 0.06 -4.22 2.79 10.64 -1.26 -1.19 117.38 128.90 3koq n GLN 51 Ca -0.10 -0.33 -0.23 0.00 -1.83 0.00 0.00 57.00 54.50 3koq n GLN 51 Cb 0.44 -0.52 -0.07 0.00 -0.86 0.00 0.00 30.24 29.23 3koq n GLN 51 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3koq s GLU 52 N -0.03 2.28 0.11 2.61 2.02 -1.26 -4.93 118.70 119.50 3koq s GLU 52 Ca 0.00 -1.56 -0.21 0.00 0.02 0.00 0.00 54.97 53.22 3koq s GLU 52 Cb 0.00 -2.11 -0.08 0.00 0.10 0.00 0.00 34.13 32.04 3koq s GLU 52 CO 0.00 0.19 1.72 -0.22 0.02 0.00 0.00 175.26 176.97 3koq h LYS 53 N 1.71 0.01 -0.42 1.61 3.64 -1.99 -1.60 116.57 119.53 3koq h LYS 53 Ca -0.44 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3koq h LYS 53 Cb 1.25 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 3koq h LYS 53 CO 0.63 0.01 0.26 0.93 -2.27 0.00 0.00 179.45 179.01 3koq h GLU 54 N 0.01 0.57 -0.59 1.90 4.39 -1.98 0.59 114.58 119.47 3koq h GLU 54 Ca 0.06 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 3koq h GLU 54 Cb 0.08 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3koq h GLU 54 CO -0.12 0.41 0.01 0.78 -1.16 0.00 0.00 179.01 178.93 3koq h GLY 55 N 0.56 1.11 1.04 -3.84 0.00 -1.95 -0.19 103.07 99.81 3koq h GLY 55 Ca 0.15 -0.80 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 3koq h GLY 55 CO -0.03 0.74 0.06 -2.22 0.00 0.00 0.00 176.54 175.09 3koq h ILE 56 N 0.94 1.26 -0.26 2.60 1.08 -1.09 -1.44 117.51 120.60 3koq h ILE 56 Ca 0.17 -1.05 -0.08 0.00 -0.39 0.00 0.00 64.86 63.51 3koq h ILE 56 Cb 0.54 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 3koq h ILE 56 CO 0.03 0.38 -0.18 0.78 -0.69 0.00 0.00 178.15 178.47 3koq h ASN 57 N 0.90 0.45 -0.25 1.72 2.35 -0.67 -1.51 115.58 118.57 3koq h ASN 57 Ca 0.17 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3koq h ASN 57 Cb 0.47 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3koq h ASN 57 CO 0.02 0.65 0.09 0.11 -1.65 0.00 0.00 177.43 176.65 3koq h LYS 58 N 0.42 0.37 -0.74 0.81 1.57 -0.69 -2.35 116.57 115.95 3koq h LYS 58 Ca 0.07 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3koq h LYS 58 Cb 0.55 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 3koq h LYS 58 CO 0.04 0.42 0.43 -0.07 -0.57 0.00 0.00 179.45 179.70 3koq h LEU 59 N 0.24 0.66 -0.48 2.94 3.38 -1.03 -2.52 115.31 118.51 3koq h LEU 59 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3koq h LEU 59 Cb 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3koq h LEU 59 CO -0.01 0.43 0.00 -1.54 0.09 0.00 0.00 178.44 177.41 3koq n SER 60 N -4.72 0.67 0.15 -0.43 3.41 -0.59 -0.86 113.62 111.24 3koq n SER 60 Ca 0.10 0.63 -0.00 0.00 -0.26 0.00 0.00 58.87 59.34 3koq n SER 60 Cb 0.18 -0.79 0.26 0.00 -0.26 0.00 0.00 64.21 63.59 3koq n SER 60 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3koq h LYS 61 N 0.00 0.06 0.00 4.33 1.57 -0.97 -3.34 116.57 118.23 3koq h LYS 61 Ca 0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3koq h LYS 61 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3koq h LYS 61 CO 0.00 0.52 -1.89 0.00 -0.57 0.00 0.00 179.45 177.52 3koq n ALA 62 N -2.45 2.36 -3.50 3.86 0.00 -0.04 -4.94 120.51 115.80 3koq n ALA 62 Ca -0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 53.44 52.65 3koq n ALA 62 Cb 0.50 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 3koq n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3koq s ALA 63 N -3.19 -1.36 -0.49 0.00 0.00 -0.09 -1.08 121.76 115.55 3koq s ALA 63 Ca -0.07 0.13 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 3koq s ALA 63 Cb 0.11 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.13 3koq s ALA 63 CO 0.86 -0.84 0.94 1.21 0.00 0.00 0.00 175.76 177.94 3koq s ASN 64 N -2.82 6.47 0.00 0.00 3.84 -1.26 -4.13 114.94 117.03 3koq s ASN 64 Ca 0.05 0.03 0.18 0.00 0.21 0.00 0.00 52.86 53.33 3koq s ASN 64 Cb -0.02 -2.45 0.44 0.00 -0.55 0.00 0.00 41.25 38.66 3koq s ASN 64 CO -0.06 -1.11 1.36 2.30 -2.79 0.00 0.00 177.10 176.80 3koq n ILE 65 N 6.40 0.78 -3.02 -5.21 -6.64 -1.26 -4.99 119.36 105.41 3koq n ILE 65 Ca 0.05 -0.89 -0.21 0.00 -1.77 0.00 0.00 62.75 59.93 3koq n ILE 65 Cb 0.48 0.70 0.01 0.00 -1.44 0.00 0.00 39.64 39.39 3koq n ILE 65 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 3koq n TYR 66 N 1.18 -1.75 -2.30 4.28 4.01 -1.26 -1.25 117.16 120.07 3koq n TYR 66 Ca 0.18 0.39 -0.12 0.00 -0.16 0.00 0.00 57.90 58.18 3koq n TYR 66 Cb 0.53 -3.58 -0.01 0.00 -0.31 0.00 0.00 39.34 35.96 3koq n TYR 66 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3koq n ASP 67 N -2.29 -3.79 -4.76 7.72 8.00 -1.26 -4.29 116.55 115.88 3koq n ASP 67 Ca -0.09 0.21 -0.40 0.00 0.71 0.00 0.00 54.79 55.22 3koq n ASP 67 Cb 0.59 -3.27 0.02 0.00 -0.02 0.00 0.00 41.12 38.44 3koq n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koq n ALA 68 N -1.87 1.99 0.77 2.24 0.00 -0.38 -4.82 120.51 118.43 3koq n ALA 68 Ca -0.14 0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.69 3koq n ALA 68 Cb 0.58 -2.38 0.50 0.00 0.00 0.00 0.00 19.45 18.15 3koq n ALA 68 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3koq n PRO 69 N -0.12 0.14 -3.86 0.00 -0.04 -1.26 -4.82 135.00 125.04 3koq n PRO 69 Ca 0.05 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 3koq n PRO 69 Cb 0.41 -1.67 -0.12 0.00 -0.04 0.00 0.00 33.50 32.08 3koq n PRO 69 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3koq s LEU 70 N -3.82 1.67 -0.01 1.53 1.98 -1.26 -4.61 118.68 114.17 3koq s LEU 70 Ca 0.12 0.05 -0.02 0.00 -2.89 0.00 0.00 54.13 51.39 3koq s LEU 70 Cb 0.15 0.38 0.00 0.00 0.66 0.00 0.00 46.19 47.38 3koq s LEU 70 CO 0.54 -0.12 0.04 0.00 -1.89 0.00 0.00 176.35 174.92 3koq s ALA 71 N -0.37 -0.09 -0.21 5.97 0.00 -0.33 -4.46 121.76 122.28 3koq s ALA 71 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 3koq s ALA 71 Cb -0.03 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3koq s ALA 71 CO 0.00 -0.05 -0.10 0.42 0.00 0.00 0.00 175.76 176.04 3koq s ILE 72 N -0.22 2.86 -0.36 0.00 1.01 0.01 -0.22 121.20 124.28 3koq s ILE 72 Ca -0.03 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.64 3koq s ILE 72 Cb -0.02 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.17 3koq s ILE 72 CO -0.00 0.43 0.94 -0.22 0.00 0.00 0.00 174.94 176.09 3koq s LEU 73 N 1.39 3.99 -0.42 2.97 2.96 -0.45 -1.18 118.68 127.95 3koq s LEU 73 Ca 0.05 0.66 -0.15 0.00 -0.22 0.00 0.00 54.13 54.46 3koq s LEU 73 Cb -0.14 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.28 3koq s LEU 73 CO -0.07 -0.85 0.31 -0.69 -1.32 0.00 0.00 176.35 173.74 3koq s VAL 74 N 3.47 5.25 0.21 1.68 1.01 0.81 -1.02 120.40 131.82 3koq s VAL 74 Ca 0.39 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3koq s VAL 74 Cb -0.12 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3koq s VAL 74 CO 0.18 -0.35 0.31 0.00 0.00 0.00 0.00 175.10 175.24 3koq s GLY 76 N -3.71 1.57 -0.53 0.00 0.00 0.19 -0.63 107.32 104.21 3koq s GLY 76 Ca 0.34 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 43.95 3koq s GLY 76 CO 0.28 -0.39 0.72 -0.35 0.00 0.00 0.00 173.10 173.37 3koq s ASP 77 N -0.07 6.24 0.44 1.64 -1.08 0.26 -1.20 116.67 122.91 3koq s ASP 77 Ca -0.02 -0.83 0.30 0.00 -0.52 0.00 0.00 52.55 51.49 3koq s ASP 77 Cb -0.14 -2.33 1.51 0.00 -1.46 0.00 0.00 42.92 40.50 3koq s ASP 77 CO 0.04 -1.02 1.91 0.11 0.52 0.00 0.00 175.17 176.73 3koq h LYS 78 N 9.11 0.00 0.00 4.34 1.57 -1.24 -0.08 116.57 130.28 3koq h LYS 78 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3koq h LYS 78 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3koq h LYS 78 CO 1.02 0.00 -0.18 -0.25 -0.57 0.00 0.00 179.45 179.46 3koq n ASP 79 N -2.60 0.36 -0.04 0.86 8.00 -1.26 -4.12 116.55 117.75 3koq n ASP 79 Ca -0.01 0.31 -0.04 0.00 0.71 0.00 0.00 54.79 55.76 3koq n ASP 79 Cb 0.12 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 3koq n ASP 79 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3koq n LYS 80 N -1.74 1.80 -1.83 -1.24 5.02 -0.44 -5.08 118.16 114.65 3koq n LYS 80 Ca 0.06 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 3koq n LYS 80 Cb 0.37 -1.17 0.06 0.00 -0.02 0.00 0.00 35.03 34.27 3koq n LYS 80 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3koq s VAL 81 N -2.17 2.25 0.25 -0.18 0.11 -0.17 -4.85 120.40 115.64 3koq s VAL 81 Ca -0.07 0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 58.84 3koq s VAL 81 Cb 0.02 -3.05 -0.09 0.00 -1.53 0.00 0.00 36.38 31.73 3koq s VAL 81 CO 0.24 -0.03 1.23 0.86 -3.33 0.00 0.00 175.10 174.07 3koq s TRP 82 N -1.48 3.32 -0.26 1.54 -0.00 -1.26 -4.89 118.94 115.91 3koq s TRP 82 Ca 0.81 1.44 -0.07 0.00 -0.00 0.00 0.00 56.10 58.28 3koq s TRP 82 Cb -0.35 -3.50 -0.02 0.00 -0.00 0.00 0.00 33.47 29.60 3koq s TRP 82 CO 0.38 -1.37 0.07 0.99 -0.00 0.00 0.00 176.95 177.01 3koq s THR 83 N -0.60 4.19 -0.15 5.86 2.01 -1.26 -1.50 115.64 124.20 3koq s THR 83 Ca 0.50 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 3koq s THR 83 Cb -0.35 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3koq s THR 83 CO 0.43 0.30 1.60 -0.60 -0.69 0.00 0.00 174.62 175.66 3koq s ARG 84 N 1.59 3.98 0.40 4.92 3.52 0.14 -4.92 118.95 128.57 3koq s ARG 84 Ca 0.06 1.87 0.06 0.00 -0.13 0.00 0.00 55.73 57.59 3koq s ARG 84 Cb -0.15 -3.99 0.82 0.00 -1.56 0.00 0.00 34.95 30.06 3koq s ARG 84 CO 0.03 -1.07 2.04 -1.35 -0.81 0.00 0.00 175.30 174.13 3koq h PRO 85 N 10.08 0.60 -0.50 5.12 0.11 -1.95 0.52 132.00 145.98 3koq h PRO 85 Ca -0.35 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.78 3koq h PRO 85 Cb 1.16 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 3koq h PRO 85 CO 0.98 0.40 0.22 0.35 -0.21 0.00 0.00 178.00 179.74 3koq h PHE 86 N 0.62 0.40 0.00 0.65 3.57 -1.97 -3.31 116.94 116.90 3koq h PHE 86 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3koq h PHE 86 Cb -0.01 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3koq h PHE 86 CO -0.00 0.17 0.00 -0.40 -2.23 0.00 0.00 178.31 175.85 3koq n ASP 87 N -4.94 0.93 -0.08 0.41 5.75 -1.18 -5.01 116.55 112.42 3koq n ASP 87 Ca 0.05 -1.26 -0.01 0.00 -0.01 0.00 0.00 54.79 53.56 3koq n ASP 87 Cb 0.16 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3koq n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3koq n GLY 88 N -0.13 0.43 3.72 6.12 0.00 0.18 -4.99 105.19 110.52 3koq n GLY 88 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3koq n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3koq s LYS 89 N -0.96 4.42 0.10 1.61 2.20 -1.21 -4.69 119.74 121.21 3koq s LYS 89 Ca 0.00 1.89 0.02 0.00 -0.36 0.00 0.00 55.97 57.52 3koq s LYS 89 Cb 0.00 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 3koq s LYS 89 CO 0.00 -0.26 0.17 -0.65 -0.36 0.00 0.00 175.35 174.25 3koq s GLN 90 N 0.66 3.17 -0.08 4.03 -0.21 -1.26 0.24 119.66 126.21 3koq s GLN 90 Ca 0.58 -0.62 0.07 0.00 0.02 0.00 0.00 55.36 55.41 3koq s GLN 90 Cb -0.32 -2.86 0.34 0.00 1.00 0.00 0.00 33.01 31.17 3koq s GLN 90 CO 0.32 0.56 1.10 1.28 -2.12 0.00 0.00 175.29 176.42 3koq n LEU 91 N 0.08 2.76 -0.07 2.90 4.32 -0.56 -4.54 117.00 121.89 3koq n LEU 91 Ca -0.07 -1.40 -0.07 0.00 -0.02 0.00 0.00 56.01 54.45 3koq n LEU 91 Cb 0.52 -0.49 -0.01 0.00 -1.62 0.00 0.00 43.42 41.82 3koq n LEU 91 CO 0.47 0.42 0.78 0.74 -1.22 0.00 0.00 177.39 178.59 3koq h THR 92 N 1.79 0.63 -0.13 -5.08 2.02 -1.95 -0.37 112.91 109.82 3koq h THR 92 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 3koq h THR 92 Cb 0.98 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3koq h THR 92 CO 0.17 0.00 -0.58 0.44 0.37 0.00 0.00 175.52 175.92 3koq h ASP 93 N -0.06 0.47 0.55 4.18 3.32 -1.99 -2.83 116.42 120.05 3koq h ASP 93 Ca 0.14 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 3koq h ASP 93 Cb 0.28 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.70 3koq h ASP 93 CO -0.33 0.94 -0.26 0.40 -1.72 0.00 0.00 179.24 178.27 3koq h ILE 94 N 0.31 0.31 -0.27 0.35 2.04 -1.75 -1.08 117.51 117.42 3koq h ILE 94 Ca 0.00 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.50 3koq h ILE 94 Cb 1.10 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3koq h ILE 94 CO 0.10 0.04 0.13 0.44 0.00 0.00 0.00 178.15 178.87 3koq h ASP 95 N -1.02 0.19 0.12 1.72 3.32 -1.20 -0.82 116.42 118.73 3koq h ASP 95 Ca -0.07 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3koq h ASP 95 Cb 0.63 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3koq h ASP 95 CO 0.12 0.15 -0.21 0.71 -1.72 0.00 0.00 179.24 178.29 3koq h THR 96 N 0.28 1.20 0.00 0.35 1.35 -1.56 -2.61 112.91 111.93 3koq h THR 96 Ca 0.11 -0.94 -0.18 0.00 -0.55 0.00 0.00 66.41 64.85 3koq h THR 96 Cb 0.04 1.36 -0.03 0.00 -1.73 0.00 0.00 68.15 67.79 3koq h THR 96 CO -0.08 0.28 -0.84 0.28 -0.25 0.00 0.00 175.52 174.92 3koq h SER 97 N 0.17 0.00 -0.39 5.36 0.02 -0.39 -0.32 113.55 118.00 3koq h SER 97 Ca 0.03 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3koq h SER 97 Cb 0.47 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3koq h SER 97 CO 0.03 0.84 0.16 0.40 -1.14 0.00 0.00 176.83 177.12 3koq h ILE 98 N 0.00 1.19 -0.03 3.27 2.04 -0.91 0.77 117.51 123.84 3koq h ILE 98 Ca -0.01 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3koq h ILE 98 Cb 1.48 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3koq h ILE 98 CO 0.11 0.21 0.02 0.58 0.00 0.00 0.00 178.15 179.07 3koq h VAL 99 N 0.49 1.02 -0.46 1.67 2.07 -1.33 -0.99 116.25 118.71 3koq h VAL 99 Ca 0.13 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3koq h VAL 99 Cb 0.18 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3koq h VAL 99 CO -0.01 0.02 -0.00 0.74 0.02 0.00 0.00 177.57 178.33 3koq h THR 100 N 0.02 1.26 -0.45 2.57 2.02 -0.91 -2.86 112.91 114.56 3koq h THR 100 Ca 0.01 -1.06 0.05 0.00 0.77 0.00 0.00 66.41 66.19 3koq h THR 100 Cb 0.01 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 3koq h THR 100 CO -0.00 0.37 0.18 -0.78 0.37 0.00 0.00 175.52 175.66 3koq h ASP 101 N 0.67 0.22 -0.00 4.18 3.58 -0.67 -3.43 116.42 120.96 3koq h ASP 101 Ca 0.13 0.04 -0.43 0.00 0.42 0.00 0.00 57.03 57.19 3koq h ASP 101 Cb 0.50 0.01 0.11 0.00 1.72 0.00 0.00 39.33 41.68 3koq h ASP 101 CO 0.02 0.16 1.12 1.41 -2.88 0.00 0.00 179.24 179.07 3koq n HIS 102 N -4.98 0.04 0.00 0.28 8.25 -0.39 -4.58 115.22 113.84 3koq n HIS 102 Ca 0.04 -0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 3koq n HIS 102 Cb 0.16 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.52 3koq n HIS 102 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3koq n LEU 105 N 8.22 0.00 -0.05 2.41 4.77 -1.26 -4.59 117.00 126.49 3koq n LEU 105 Ca 0.36 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.23 3koq n LEU 105 Cb 0.39 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 3koq n LEU 105 CO 0.96 0.00 0.84 -0.61 -1.33 0.00 0.00 177.39 177.25 3koq h GLN 106 N 0.00 0.28 -0.61 3.23 5.75 -1.96 -2.30 115.11 119.51 3koq h GLN 106 Ca 0.00 -0.06 0.10 0.00 -0.15 0.00 0.00 58.65 58.55 3koq h GLN 106 Cb 0.00 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.43 3koq h GLN 106 CO 0.00 0.38 0.19 0.00 -2.65 0.00 0.00 178.83 176.74 3koq h ALA 107 N 0.90 0.76 -0.98 3.38 0.00 -1.90 -2.29 119.26 119.12 3koq h ALA 107 Ca 0.06 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3koq h ALA 107 Cb 0.20 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3koq h ALA 107 CO -0.00 -0.25 0.64 1.15 0.00 0.00 0.00 179.25 180.79 3koq h THR 108 N 0.34 1.26 -0.37 0.00 2.02 -1.56 -1.71 112.91 112.90 3koq h THR 108 Ca 0.31 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3koq h THR 108 Cb 0.43 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 3koq h THR 108 CO -0.35 0.25 0.13 -0.08 0.37 0.00 0.00 175.52 175.84 3koq h GLU 109 N 1.34 0.52 -0.09 6.66 4.81 -0.87 -2.48 114.58 124.47 3koq h GLU 109 Ca 0.36 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3koq h GLU 109 Cb -0.13 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.15 3koq h GLU 109 CO -0.07 0.45 0.00 1.28 -0.73 0.00 0.00 179.01 179.94 3koq n LEU 110 N -4.37 0.84 0.00 1.64 4.77 -0.72 -4.89 117.00 114.26 3koq n LEU 110 Ca 0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3koq n LEU 110 Cb 0.15 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3koq n LEU 110 CO 0.37 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3koq n GLY 111 N 0.94 0.65 3.70 -0.72 0.00 -0.93 -5.04 105.19 103.79 3koq n GLY 111 Ca 0.14 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3koq n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3koq s LEU 112 N 0.00 4.24 0.69 0.99 1.02 -0.73 -4.85 118.68 120.04 3koq s LEU 112 Ca 0.00 0.97 -0.12 0.00 0.02 0.00 0.00 54.13 55.00 3koq s LEU 112 Cb 0.00 -2.93 0.01 0.00 0.02 0.00 0.00 46.19 43.29 3koq s LEU 112 CO 0.00 -0.15 1.07 0.00 0.02 0.00 0.00 176.35 177.29 3koq s ALA 113 N 1.20 2.55 0.20 4.21 0.00 0.60 -3.73 121.76 126.80 3koq s ALA 113 Ca 0.32 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.35 3koq s ALA 113 Cb -0.16 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.76 3koq s ALA 113 CO 0.13 -1.29 0.56 -1.54 0.00 0.00 0.00 175.76 173.62 3koq s SER 114 N -3.33 -0.29 -0.10 0.00 1.04 -1.26 -1.72 113.70 108.04 3koq s SER 114 Ca 0.61 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 56.52 3koq s SER 114 Cb -0.16 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.60 3koq s SER 114 CO 0.50 -1.09 0.26 0.54 0.98 0.00 0.00 173.24 174.43 3koq s VAL 115 N -3.87 -0.02 0.06 5.02 0.11 -0.51 -0.57 120.40 120.61 3koq s VAL 115 Ca 0.09 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.92 3koq s VAL 115 Cb -0.02 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 3koq s VAL 115 CO -0.02 0.03 0.97 0.86 -3.33 0.00 0.00 175.10 173.61 3koq s TRP 116 N 0.77 3.74 -0.13 1.54 -0.11 -1.26 -0.97 118.94 122.52 3koq s TRP 116 Ca -0.05 1.75 0.00 0.00 1.22 0.00 0.00 56.10 59.02 3koq s TRP 116 Cb -0.06 -3.09 0.02 0.00 -1.50 0.00 0.00 33.47 28.84 3koq s TRP 116 CO -0.05 0.10 -0.11 0.08 -4.62 0.00 0.00 176.95 172.35 3koq s VAL 117 N 0.47 1.30 -0.40 5.86 1.01 0.53 -4.94 120.40 124.22 3koq s VAL 117 Ca 0.49 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3koq s VAL 117 Cb -0.22 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3koq s VAL 117 CO 0.29 0.41 0.38 0.00 0.00 0.00 0.00 175.10 176.19 3koq n TYR 119 N -0.57 3.71 -4.20 0.00 4.19 -1.26 -4.89 117.16 114.13 3koq n TYR 119 Ca 0.02 -2.95 -0.16 0.00 3.31 0.00 0.00 57.90 58.11 3koq n TYR 119 Cb 0.10 -2.24 -0.11 0.00 0.49 0.00 0.00 39.34 37.58 3koq n TYR 119 CO 0.00 0.00 0.00 -0.59 0.91 0.00 0.00 176.86 177.18 3koq s PHE 120 N 1.84 1.22 -0.51 2.98 -0.12 -1.26 -4.55 117.98 117.58 3koq s PHE 120 Ca 0.44 -0.59 -0.29 0.00 -0.05 0.00 0.00 56.93 56.44 3koq s PHE 120 Cb 0.08 -0.65 0.03 0.00 -0.63 0.00 0.00 43.02 41.84 3koq s PHE 120 CO -0.01 0.07 1.17 1.21 -0.05 0.00 0.00 175.22 177.61 3koq s ASN 121 N -2.39 6.56 0.38 1.98 3.84 -0.24 -4.91 114.94 120.15 3koq s ASN 121 Ca 0.06 0.37 0.17 0.00 0.21 0.00 0.00 52.86 53.68 3koq s ASN 121 Cb -0.04 -2.55 0.75 0.00 -0.55 0.00 0.00 41.25 38.86 3koq s ASN 121 CO 0.02 -1.34 1.78 1.55 -2.79 0.00 0.00 177.10 176.32 3koq h PRO 122 N 9.42 0.00 -0.35 0.43 0.13 -1.96 -2.13 132.00 137.55 3koq h PRO 122 Ca -0.24 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.76 3koq h PRO 122 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3koq h PRO 122 CO 1.15 0.37 -0.33 -0.44 -0.23 0.00 0.00 178.00 178.52 3koq h ASP 123 N 0.00 0.81 -0.26 1.44 3.32 -1.99 -0.21 116.42 119.52 3koq h ASP 123 Ca -0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 3koq h ASP 123 Cb 0.79 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3koq h ASP 123 CO 0.05 1.06 0.07 0.40 -1.72 0.00 0.00 179.24 179.10 3koq h ILE 124 N 0.65 1.21 -0.43 0.35 2.04 -1.91 -1.11 117.51 118.31 3koq h ILE 124 Ca 0.07 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.28 3koq h ILE 124 Cb 0.86 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3koq h ILE 124 CO 0.08 0.22 0.19 0.40 0.00 0.00 0.00 178.15 179.04 3koq h ILE 125 N 0.25 0.92 -0.49 -0.67 1.08 -1.27 0.20 117.51 117.54 3koq h ILE 125 Ca 0.08 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3koq h ILE 125 Cb 0.28 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3koq h ILE 125 CO 0.00 0.07 0.30 0.03 -0.69 0.00 0.00 178.15 177.86 3koq h ARG 126 N 0.38 0.66 0.19 2.37 3.08 -0.93 -1.93 114.38 118.20 3koq h ARG 126 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3koq h ARG 126 Cb 0.14 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3koq h ARG 126 CO -0.16 0.48 -0.09 1.49 -1.07 0.00 0.00 179.97 180.62 3koq h GLU 127 N 0.66 -0.24 -0.32 0.04 4.81 -0.92 -1.05 114.58 117.57 3koq h GLU 127 Ca 0.18 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3koq h GLU 127 Cb -0.01 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3koq h GLU 127 CO -0.03 0.07 0.02 0.93 -0.73 0.00 0.00 179.01 179.27 3koq h GLU 128 N -0.57 0.48 -0.68 1.92 4.39 -0.57 -2.54 114.58 117.01 3koq h GLU 128 Ca -0.03 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3koq h GLU 128 Cb 0.43 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3koq h GLU 128 CO 0.04 0.49 0.00 1.19 -1.16 0.00 0.00 179.01 179.57 3koq n PHE 129 N -4.31 0.93 -4.12 4.33 3.72 -0.73 -4.98 117.46 112.30 3koq n PHE 129 Ca 0.01 -0.51 -0.28 0.00 -0.05 0.00 0.00 57.45 56.62 3koq n PHE 129 Cb 0.22 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 3koq n PHE 129 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3koq n SER 130 N 1.47 0.06 -4.74 4.37 7.64 -0.85 -4.87 113.62 116.69 3koq n SER 130 Ca 0.23 -1.12 -0.41 0.00 1.01 0.00 0.00 58.87 58.57 3koq n SER 130 Cb 0.61 -2.42 -0.03 0.00 -1.01 0.00 0.00 64.21 61.35 3koq n SER 130 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3koq s LEU 131 N -7.15 4.45 0.81 -3.43 1.43 -0.45 -5.02 118.68 109.31 3koq s LEU 131 Ca 0.05 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 3koq s LEU 131 Cb -0.03 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.66 3koq s LEU 131 CO 0.94 -0.38 1.09 -2.16 0.23 0.00 0.00 176.35 176.07 3koq s PRO 132 N -0.31 1.94 0.56 1.29 0.04 -1.26 -4.91 135.00 132.34 3koq s PRO 132 Ca 0.53 0.88 0.26 0.00 0.04 0.00 0.00 61.00 62.71 3koq s PRO 132 Cb -0.33 -1.88 1.61 0.00 0.04 0.00 0.00 34.50 33.94 3koq s PRO 132 CO 0.37 -1.78 2.19 -0.44 0.04 0.00 0.00 177.00 177.38 3koq h ASP 133 N -1.22 0.00 1.10 6.66 3.32 -2.01 -1.55 116.42 122.72 3koq h ASP 133 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3koq h ASP 133 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3koq h ASP 133 CO 0.55 0.03 0.00 -0.55 -1.72 0.00 0.00 179.24 177.55 3koq h ASN 134 N 0.00 0.00 -3.80 6.45 -1.07 -1.94 -3.42 115.58 111.79 3koq h ASN 134 Ca -0.00 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 55.73 3koq h ASN 134 Cb 0.08 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 36.14 3koq h ASN 134 CO 0.00 0.00 -0.56 -0.76 0.07 0.00 0.00 177.43 176.18 3koq s LEU 135 N -5.16 3.80 -0.20 6.14 1.43 -0.58 -0.69 118.68 123.42 3koq s LEU 135 Ca 0.05 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 3koq s LEU 135 Cb 0.09 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3koq s LEU 135 CO 0.50 -0.04 0.05 -0.70 0.23 0.00 0.00 176.35 176.39 3koq s GLU 136 N 1.70 3.82 -0.04 1.70 2.12 -0.34 -4.72 118.70 122.94 3koq s GLU 136 Ca 0.07 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 3koq s GLU 136 Cb -0.16 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 3koq s GLU 136 CO 0.08 0.12 1.14 -1.25 -0.54 0.00 0.00 175.26 174.81 3koq s PRO 137 N 0.78 4.40 -0.07 4.30 0.04 -1.26 -0.64 135.00 142.55 3koq s PRO 137 Ca 0.03 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 3koq s PRO 137 Cb -0.14 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 3koq s PRO 137 CO 0.02 -0.36 -0.20 -0.89 0.04 0.00 0.00 177.00 175.62 3koq n ILE 138 N 4.44 1.28 -4.46 0.56 2.08 -0.01 -4.95 119.36 118.30 3koq n ILE 138 Ca 0.10 0.25 -0.22 0.00 0.56 0.00 0.00 62.75 63.44 3koq n ILE 138 Cb 0.47 -2.00 -0.14 0.00 -0.75 0.00 0.00 39.64 37.23 3koq n ILE 138 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 3koq s ASN 139 N -5.81 1.91 -0.25 4.38 0.01 -1.04 -4.80 114.94 109.34 3koq s ASN 139 Ca -0.16 -0.46 -0.03 0.00 -0.71 0.00 0.00 52.86 51.49 3koq s ASN 139 Cb 0.02 -0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.55 3koq s ASN 139 CO 0.24 0.08 -0.03 -0.63 -1.51 0.00 0.00 177.10 175.25 3koq s ILE 140 N -0.80 3.21 -0.30 0.60 1.01 -0.19 -0.13 121.20 124.60 3koq s ILE 140 Ca 0.04 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 3koq s ILE 140 Cb -0.08 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3koq s ILE 140 CO 0.01 0.24 0.28 -0.22 0.00 0.00 0.00 174.94 175.25 3koq s LEU 141 N 1.40 4.16 0.40 2.97 2.96 -0.32 -0.35 118.68 129.91 3koq s LEU 141 Ca 0.02 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3koq s LEU 141 Cb -0.16 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.29 3koq s LEU 141 CO -0.03 -0.16 0.56 -0.76 -1.32 0.00 0.00 176.35 174.64 3koq s LEU 142 N 1.88 3.75 0.00 -0.68 1.43 -0.14 -0.81 118.68 124.11 3koq s LEU 142 Ca 0.10 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3koq s LEU 142 Cb -0.16 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3koq s LEU 142 CO 0.11 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.65 3koq n GLY 144 N -1.85 0.84 3.44 -3.19 0.00 -0.70 -1.43 105.19 102.30 3koq n GLY 144 Ca 0.03 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 3koq n GLY 144 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3koq s TYR 145 N -3.49 2.89 0.41 1.61 2.02 -1.26 -0.29 117.35 119.23 3koq s TYR 145 Ca 0.00 -0.45 -0.25 0.00 -0.37 0.00 0.00 57.07 56.00 3koq s TYR 145 Cb 0.00 -1.86 -0.08 0.00 -0.40 0.00 0.00 41.96 39.62 3koq s TYR 145 CO 0.00 -0.09 1.18 -1.83 -1.57 0.00 0.00 175.55 173.24 3koq s GLU 146 N 0.20 4.01 0.28 -0.62 -1.05 -1.26 0.19 118.70 120.45 3koq s GLU 146 Ca -0.06 1.85 0.14 0.00 -0.15 0.00 0.00 54.97 56.76 3koq s GLU 146 Cb -0.15 -2.65 0.27 0.00 -0.44 0.00 0.00 34.13 31.16 3koq s GLU 146 CO 0.04 -0.36 1.53 0.77 0.95 0.00 0.00 175.26 178.19 3koq h SER 147 N 2.56 0.00 -3.45 0.83 0.02 -1.58 -3.40 113.55 108.54 3koq h SER 147 Ca -0.49 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.22 3koq h SER 147 Cb 1.24 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 3koq h SER 147 CO 0.62 0.56 -0.23 2.29 -1.14 0.00 0.00 176.83 178.94 3koq n LYS 148 N -3.42 0.24 -1.93 3.45 2.85 -1.26 -4.96 118.16 113.13 3koq n LYS 148 Ca 0.00 -1.75 -0.41 0.00 -1.05 0.00 0.00 58.31 55.10 3koq n LYS 148 Cb 0.68 1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 36.51 3koq n LYS 148 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3koq s ILE 149 N -2.71 2.42 0.84 0.58 1.01 -1.26 -4.95 121.20 117.12 3koq s ILE 149 Ca 0.21 0.37 -0.11 0.00 0.00 0.00 0.00 60.65 61.13 3koq s ILE 149 Cb 0.01 -3.24 0.09 0.00 0.01 0.00 0.00 42.46 39.33 3koq s ILE 149 CO 0.15 0.07 1.10 -2.16 0.00 0.00 0.00 174.94 174.10 3koq s PRO 150 N -0.87 1.72 0.66 2.79 0.04 -1.26 -5.00 135.00 133.08 3koq s PRO 150 Ca 0.58 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.68 3koq s PRO 150 Cb -0.44 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3koq s PRO 150 CO 0.49 -2.03 1.14 -1.21 0.04 0.00 0.00 177.00 175.43 3koq s GLU 151 N -4.83 2.72 0.29 4.56 0.41 -1.26 -4.93 118.70 115.65 3koq s GLU 151 Ca 0.63 1.52 -0.29 0.00 -0.41 0.00 0.00 54.97 56.42 3koq s GLU 151 Cb -0.19 -1.93 -0.10 0.00 -1.78 0.00 0.00 34.13 30.13 3koq s GLU 151 CO 0.57 -1.34 1.32 0.45 -0.49 0.00 0.00 175.26 175.76 3koq s SER 152 N -2.31 6.81 0.40 -0.19 0.15 -1.26 -4.89 113.70 112.42 3koq s SER 152 Ca 0.70 2.59 0.28 0.00 0.70 0.00 0.00 55.95 60.22 3koq s SER 152 Cb -0.23 -2.63 1.44 0.00 -1.71 0.00 0.00 66.02 62.89 3koq s SER 152 CO 0.40 -0.53 1.84 -0.65 1.20 0.00 0.00 173.24 175.50 3koq h PRO 153 N 4.12 0.00 -0.50 5.44 0.11 -1.89 -2.69 132.00 136.58 3koq h PRO 153 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3koq h PRO 153 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3koq h PRO 153 CO 0.70 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 3koq n GLU 154 N -2.48 3.79 0.11 1.05 -0.58 -1.26 -4.58 120.64 116.69 3koq n GLU 154 Ca -0.01 -2.88 0.12 0.00 -0.42 0.00 0.00 57.16 53.97 3koq n GLU 154 Cb 0.08 -1.93 0.45 0.00 -0.57 0.00 0.00 31.44 29.47 3koq n GLU 154 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3koq n ARG 155 N 0.51 0.22 0.27 3.49 1.85 -1.02 -4.03 116.66 117.96 3koq n ARG 155 Ca 0.24 0.31 0.14 0.00 -1.00 0.00 0.00 57.85 57.55 3koq n ARG 155 Cb 0.94 -1.83 0.78 0.00 -1.05 0.00 0.00 32.46 31.30 3koq n ARG 155 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3koq h HIS 156 N 0.00 0.00 -0.53 2.89 3.86 -1.84 0.11 115.15 119.64 3koq h HIS 156 Ca 0.00 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 3koq h HIS 156 Cb 0.55 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 3koq h HIS 156 CO 0.00 0.09 0.37 1.49 0.86 0.00 0.00 177.93 180.74 3koq h GLU 157 N 0.00 0.12 0.00 2.45 4.22 -1.86 -1.09 114.58 118.43 3koq h GLU 157 Ca -0.00 -0.01 -0.33 0.00 0.08 0.00 0.00 59.36 59.10 3koq h GLU 157 Cb 0.30 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 3koq h GLU 157 CO 0.01 0.08 -2.31 1.63 -2.18 0.00 0.00 179.01 176.24 3koq n LYS 158 N -4.42 0.68 -0.12 1.92 4.76 0.26 -4.57 118.16 116.68 3koq n LYS 158 Ca 0.09 -0.01 0.11 0.00 -2.87 0.00 0.00 58.31 55.64 3koq n LYS 158 Cb 0.52 -1.54 0.16 0.00 -1.84 0.00 0.00 35.03 32.33 3koq n LYS 158 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3koq n THR 159 N -2.73 0.34 -4.10 -0.18 -2.24 -0.37 -4.89 114.28 100.11 3koq n THR 159 Ca -0.29 -0.67 -0.14 0.00 -2.27 0.00 0.00 64.05 60.67 3koq n THR 159 Cb 1.10 1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 70.35 3koq n THR 159 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3koq s ARG 160 N -1.55 0.64 0.75 -0.78 1.81 -0.44 -5.00 118.95 114.38 3koq s ARG 160 Ca 0.32 -0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 53.36 3koq s ARG 160 Cb 0.20 -0.45 0.04 0.00 -0.45 0.00 0.00 34.95 34.30 3koq s ARG 160 CO 0.29 0.08 1.09 0.14 -0.68 0.00 0.00 175.30 176.23 3koq s VAL 161 N -1.50 3.32 0.52 3.52 -7.23 -1.26 -4.76 120.40 113.01 3koq s VAL 161 Ca -0.06 0.47 -0.22 0.00 -1.81 0.00 0.00 61.98 60.36 3koq s VAL 161 Cb -0.09 -2.97 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 3koq s VAL 161 CO 0.01 -0.52 1.12 -2.65 -0.31 0.00 0.00 175.10 172.74 3koq n PRO 162 N -3.26 1.34 -0.28 4.82 -0.02 -1.26 -4.88 135.00 131.46 3koq n PRO 162 Ca 0.09 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3koq n PRO 162 Cb 0.53 -2.27 0.36 0.00 -0.02 0.00 0.00 33.50 32.10 3koq n PRO 162 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3koq h LEU 163 N 1.18 0.68 -2.26 2.45 5.85 -1.99 -1.32 115.31 119.90 3koq h LEU 163 Ca -0.48 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.32 3koq h LEU 163 Cb 1.33 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3koq h LEU 163 CO 0.55 0.35 0.22 0.77 -0.34 0.00 0.00 178.44 179.98 3koq h SER 164 N 0.72 0.00 1.33 1.25 4.64 -1.90 -0.62 113.55 118.98 3koq h SER 164 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3koq h SER 164 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3koq h SER 164 CO -0.21 0.00 -0.17 -0.62 -0.87 0.00 0.00 176.83 174.96 3koq n GLU 165 N -3.56 0.28 -0.00 4.77 1.02 -0.50 -4.00 120.64 118.64 3koq n GLU 165 Ca 0.01 0.19 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 3koq n GLU 165 Cb 0.33 -1.78 -0.06 0.00 -0.02 0.00 0.00 31.44 29.90 3koq n GLU 165 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3koq n ILE 166 N -2.25 0.00 -5.12 -3.67 -5.35 -0.31 -5.01 119.36 97.65 3koq n ILE 166 Ca 0.05 -0.24 -0.30 0.00 -0.27 0.00 0.00 62.75 61.98 3koq n ILE 166 Cb 0.44 0.93 -0.17 0.00 -1.74 0.00 0.00 39.64 39.10 3koq n ILE 166 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3koq s VAL 167 N -2.10 1.89 0.26 7.28 1.01 -0.74 -5.13 120.40 122.87 3koq s VAL 167 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3koq s VAL 167 Cb 0.08 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 3koq s VAL 167 CO 0.45 0.53 0.06 -0.94 0.00 0.00 0.00 175.10 175.20 3koq s SER 168 N 0.24 1.58 -0.17 3.32 1.04 -1.26 -4.75 113.70 113.70 3koq s SER 168 Ca -0.14 -1.34 -0.00 0.00 0.48 0.00 0.00 55.95 54.95 3koq s SER 168 Cb -0.16 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3koq s SER 168 CO 0.07 -0.65 -0.14 -0.31 0.98 0.00 0.00 173.24 173.18 3koq s TYR 169 N -3.58 2.81 0.00 5.02 1.51 -1.26 -4.81 117.35 117.04 3koq s TYR 169 Ca 0.35 -1.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.21 3koq s TYR 169 Cb 0.08 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 3koq s TYR 169 CO 0.13 -0.59 0.00 0.39 -1.11 0.00 0.00 175.55 174.37 3koq n GLU 170 N 4.37 0.00 -4.41 -0.62 -0.58 -1.26 -4.77 120.64 113.36 3koq n GLU 170 Ca -0.19 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.34 3koq n GLU 170 Cb 0.51 -0.07 -0.10 0.00 -0.57 0.00 0.00 31.44 31.21 3koq n GLU 170 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3koq s THR 171 N 0.00 1.22 -1.64 2.62 -4.23 -1.26 -5.35 115.64 107.01 3koq s THR 171 Ca 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3koq s THR 171 Cb 0.00 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.23 3koq s THR 171 CO 0.00 -0.14 0.41 0.18 -0.54 0.00 0.00 174.62 174.53