#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koq n ASN 2 N 0.00 2.73 -0.13 1.61 0.23 -1.26 -5.16 115.26 113.28 3koq n ASN 2 Ca 0.00 -2.87 -0.10 0.00 -0.53 0.00 0.00 54.58 51.08 3koq n ASN 2 Cb 0.00 0.43 -0.02 0.00 -2.08 0.00 0.00 39.78 38.12 3koq n ASN 2 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3koq h PHE 3 N 1.30 0.72 -0.64 -2.53 3.57 -2.05 -1.89 116.94 115.42 3koq h PHE 3 Ca -0.34 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 3koq h PHE 3 Cb 1.07 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3koq h PHE 3 CO 0.00 0.73 0.32 -0.24 -2.23 0.00 0.00 178.31 176.89 3koq h VAL 4 N 0.50 1.20 -0.60 1.41 3.04 -2.05 0.11 116.25 119.86 3koq h VAL 4 Ca 0.11 -0.56 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 3koq h VAL 4 Cb 0.43 0.37 -0.03 0.00 -2.01 0.00 0.00 31.29 30.05 3koq h VAL 4 CO 0.01 0.24 0.25 -0.33 -1.01 0.00 0.00 177.57 176.74 3koq h GLU 5 N 0.90 0.89 -0.17 4.17 5.08 -1.93 0.89 114.58 124.43 3koq h GLU 5 Ca 0.23 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3koq h GLU 5 Cb 0.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3koq h GLU 5 CO -0.03 0.75 0.10 1.25 -1.00 0.00 0.00 179.01 180.08 3koq h LEU 6 N 0.84 0.20 -1.16 1.33 5.85 -0.84 -0.18 115.31 121.35 3koq h LEU 6 Ca 0.20 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3koq h LEU 6 Cb 0.18 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3koq h LEU 6 CO -0.02 0.21 0.31 0.00 -0.34 0.00 0.00 178.44 178.60 3koq h ALA 7 N 1.00 1.35 -0.20 1.25 0.00 -0.75 -2.34 119.26 119.57 3koq h ALA 7 Ca 0.06 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 3koq h ALA 7 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3koq h ALA 7 CO -0.01 0.51 -0.65 0.87 0.00 0.00 0.00 179.25 179.98 3koq h LYS 8 N 0.90 0.72 -0.55 0.00 1.57 -0.71 -3.27 116.57 115.23 3koq h LYS 8 Ca 0.22 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 3koq h LYS 8 Cb 0.09 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3koq h LYS 8 CO -0.03 1.14 0.26 -0.22 -0.57 0.00 0.00 179.45 180.03 3koq h LYS 9 N 0.53 0.80 -6.57 3.15 3.64 -0.71 -3.39 116.57 114.01 3koq h LYS 9 Ca -0.01 -0.12 -0.55 0.00 -1.27 0.00 0.00 60.65 58.69 3koq h LYS 9 Cb 1.24 -0.14 0.06 0.00 -0.41 0.00 0.00 32.23 32.98 3koq h LYS 9 CO 0.13 0.66 0.92 -2.13 -2.27 0.00 0.00 179.45 176.76 3koq n ARG 10 N -4.56 2.48 -4.25 1.90 0.63 -0.91 -4.79 116.66 107.16 3koq n ARG 10 Ca 0.03 0.89 -0.16 0.00 -0.92 0.00 0.00 57.85 57.69 3koq n ARG 10 Cb 0.12 -2.71 -0.09 0.00 0.45 0.00 0.00 32.46 30.24 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 1.18 1.50 -0.41 -0.14 1.13 -1.26 -4.99 117.35 114.36 3koq s TYR 11 Ca 0.77 -1.54 -0.22 0.00 -1.41 0.00 0.00 57.07 54.68 3koq s TYR 11 Cb -0.59 -0.64 0.02 0.00 -1.10 0.00 0.00 41.96 39.65 3koq s TYR 11 CO 0.35 -0.79 0.70 -1.12 -2.51 0.00 0.00 175.55 172.19 3koq s SER 12 N -3.28 6.41 -0.15 -0.18 0.01 -1.26 -4.40 113.70 110.84 3koq s SER 12 Ca 0.40 -0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.47 3koq s SER 12 Cb 0.04 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 3koq s SER 12 CO 0.21 -0.76 0.37 0.00 0.41 0.00 0.00 173.24 173.46 3koq n ARG 14 N 3.71 0.69 -3.59 0.00 1.74 -1.26 -4.29 116.66 113.66 3koq n ARG 14 Ca -0.10 -1.90 -0.27 0.00 -0.77 0.00 0.00 57.85 54.80 3koq n ARG 14 Cb 0.52 -1.02 -0.16 0.00 -1.02 0.00 0.00 32.46 30.78 3koq n ARG 14 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3koq s ASN 15 N -2.05 2.85 -0.04 0.55 -0.87 -1.26 -4.90 114.94 109.22 3koq s ASN 15 Ca 0.18 -0.90 0.07 0.00 -1.57 0.00 0.00 52.86 50.64 3koq s ASN 15 Cb 0.17 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.25 41.08 3koq s ASN 15 CO 0.01 -0.39 -0.24 -0.31 -2.57 0.00 0.00 177.10 173.60 3koq s TYR 16 N 2.11 2.42 0.87 2.20 2.02 -1.26 -1.12 117.35 124.59 3koq s TYR 16 Ca 0.05 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 3koq s TYR 16 Cb -0.16 -1.56 0.11 0.00 -0.40 0.00 0.00 41.96 39.95 3koq s TYR 16 CO -0.20 -0.10 1.09 -0.65 -1.57 0.00 0.00 175.55 174.12 3koq s GLN 17 N -0.41 1.49 0.21 -0.62 -0.21 0.10 -4.72 119.66 115.50 3koq s GLN 17 Ca 0.04 0.98 0.22 0.00 0.02 0.00 0.00 55.36 56.62 3koq s GLN 17 Cb -0.12 -1.82 0.92 0.00 1.00 0.00 0.00 33.01 32.99 3koq s GLN 17 CO 0.01 -2.12 1.68 -3.47 -2.12 0.00 0.00 175.29 169.27 3koq n ASP 18 N -3.82 0.56 -4.69 5.90 -0.08 -1.26 -4.73 116.55 108.43 3koq n ASP 18 Ca 0.08 0.63 -0.44 0.00 -1.51 0.00 0.00 54.79 53.55 3koq n ASP 18 Cb 0.54 -0.76 -0.04 0.00 2.34 0.00 0.00 41.12 43.21 3koq n ASP 18 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3koq n ARG 19 N -2.12 2.54 -1.85 -0.67 0.63 -1.26 -4.97 116.66 108.96 3koq n ARG 19 Ca 0.03 0.92 -0.32 0.00 -0.92 0.00 0.00 57.85 57.56 3koq n ARG 19 Cb 0.23 -2.76 0.03 0.00 0.45 0.00 0.00 32.46 30.41 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 1.88 3.19 -0.09 -0.14 -0.14 -1.26 -4.56 119.74 118.63 3koq s LYS 20 Ca 0.80 1.06 -0.30 0.00 -1.36 0.00 0.00 55.97 56.18 3koq s LYS 20 Cb -0.57 -2.02 -0.02 0.00 -1.68 0.00 0.00 37.83 33.54 3koq s LYS 20 CO 0.37 -0.90 1.04 0.08 -0.76 0.00 0.00 175.35 175.18 3koq s VAL 21 N -2.75 4.70 0.36 3.17 1.01 -1.26 -5.00 120.40 120.62 3koq s VAL 21 Ca 0.60 1.97 -0.28 0.00 0.00 0.00 0.00 61.98 64.27 3koq s VAL 21 Cb -0.15 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.86 3koq s VAL 21 CO 0.45 0.02 1.48 -1.61 0.00 0.00 0.00 175.10 175.44 3koq s GLU 22 N 1.93 4.15 0.29 2.72 8.01 -1.26 -4.84 118.70 129.70 3koq s GLU 22 Ca 0.50 2.52 0.03 0.00 0.01 0.00 0.00 54.97 58.03 3koq s GLU 22 Cb -0.20 -2.99 0.66 0.00 -4.31 0.00 0.00 34.13 27.29 3koq s GLU 22 CO 0.20 -0.50 1.77 -0.22 0.01 0.00 0.00 175.26 176.51 3koq h LYS 23 N 3.37 0.67 -0.92 1.61 3.64 -1.99 -1.52 116.57 121.43 3koq h LYS 23 Ca -0.50 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.86 3koq h LYS 23 Cb 1.23 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 3koq h LYS 23 CO 0.67 0.45 0.60 0.93 -2.27 0.00 0.00 179.45 179.83 3koq h GLU 24 N 0.69 1.16 -0.14 1.90 3.07 -2.00 -0.22 114.58 119.05 3koq h GLU 24 Ca 0.54 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 59.21 3koq h GLU 24 Cb 0.82 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3koq h GLU 24 CO -0.39 0.77 -0.37 0.87 -1.40 0.00 0.00 179.01 178.50 3koq h LYS 25 N 1.20 0.51 -0.65 2.33 1.57 -1.68 -2.84 116.57 117.00 3koq h LYS 25 Ca 0.35 -0.35 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3koq h LYS 25 Cb -0.06 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 3koq h LYS 25 CO -0.10 0.97 0.33 1.25 -0.57 0.00 0.00 179.45 181.33 3koq h LEU 26 N 0.13 0.46 -0.77 2.94 5.85 -1.01 -0.75 115.31 122.15 3koq h LEU 26 Ca -0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3koq h LEU 26 Cb 0.98 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3koq h LEU 26 CO 0.08 0.29 0.42 -0.33 -0.34 0.00 0.00 178.44 178.56 3koq h GLU 27 N 0.60 1.08 -0.70 1.25 5.08 -1.05 0.22 114.58 121.07 3koq h GLU 27 Ca 0.30 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3koq h GLU 27 Cb 0.25 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3koq h GLU 27 CO -0.22 0.80 0.41 0.87 -1.00 0.00 0.00 179.01 179.88 3koq h LYS 28 N 1.07 0.95 -0.20 2.33 1.57 -1.15 -0.71 116.57 120.43 3koq h LYS 28 Ca 0.27 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3koq h LYS 28 Cb 0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3koq h LYS 28 CO -0.04 0.68 0.12 0.28 -0.57 0.00 0.00 179.45 179.92 3koq h VAL 29 N 0.95 1.03 -0.95 0.50 2.07 -0.58 -2.80 116.25 116.49 3koq h VAL 29 Ca 0.25 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.69 3koq h VAL 29 Cb -0.02 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3koq h VAL 29 CO -0.05 0.05 0.62 -0.07 0.02 0.00 0.00 177.57 178.15 3koq h LEU 30 N 0.25 1.09 -1.10 2.57 3.38 -0.65 -3.00 115.31 117.86 3koq h LEU 30 Ca 0.08 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.14 3koq h LEU 30 Cb -0.01 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.38 3koq h LEU 30 CO -0.03 0.79 0.61 0.44 0.09 0.00 0.00 178.44 180.34 3koq h ASP 31 N 1.28 0.86 1.28 -0.43 3.32 -0.85 -1.40 116.42 120.48 3koq h ASP 31 Ca 0.35 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3koq h ASP 31 Cb -0.15 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3koq h ASP 31 CO -0.07 0.46 0.00 -0.37 -1.72 0.00 0.00 179.24 177.54 3koq h VAL 32 N 0.92 0.00 -0.13 -1.35 -1.51 -1.53 -2.09 116.25 110.56 3koq h VAL 32 Ca 0.47 -0.46 -0.06 0.00 -1.23 0.00 0.00 66.70 65.42 3koq h VAL 32 Cb 0.52 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 3koq h VAL 32 CO -0.24 0.00 -0.20 0.00 -1.23 0.00 0.00 177.57 175.90 3koq h ALA 33 N 2.37 1.41 0.16 5.19 0.00 -1.32 -1.11 119.26 125.96 3koq h ALA 33 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 3koq h ALA 33 Cb 0.64 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3koq h ALA 33 CO 0.00 0.41 -1.33 -0.09 0.00 0.00 0.00 179.25 178.24 3koq h ARG 34 N 0.21 0.33 -0.85 0.00 2.43 -1.47 -3.36 114.38 111.66 3koq h ARG 34 Ca 0.04 -0.56 0.04 0.00 -0.81 0.00 0.00 59.98 58.68 3koq h ARG 34 Cb 0.49 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 3koq h ARG 34 CO 0.03 1.27 0.54 0.82 -1.51 0.00 0.00 179.97 181.12 3koq h ILE 35 N -0.19 1.13 -2.27 1.20 1.08 -1.28 -3.45 117.51 113.74 3koq h ILE 35 Ca -0.26 -0.36 -0.61 0.00 -0.39 0.00 0.00 64.86 63.24 3koq h ILE 35 Cb 1.85 -0.02 0.14 0.00 -3.07 0.00 0.00 36.82 35.72 3koq h ILE 35 CO 0.13 0.19 -0.39 0.00 -0.69 0.00 0.00 178.15 177.40 3koq n ALA 36 N -2.34 -1.52 -1.96 1.87 0.00 -0.43 -4.97 120.51 111.15 3koq n ALA 36 Ca 0.11 0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 3koq n ALA 36 Cb 0.10 -1.77 -0.04 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.53 3.91 0.04 0.00 0.04 -1.26 -5.04 135.00 131.16 3koq s PRO 37 Ca 0.63 0.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 3koq s PRO 37 Cb -0.63 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 3koq s PRO 37 CO 0.58 -0.17 -0.04 0.95 0.04 0.00 0.00 177.00 178.36 3koq s THR 38 N -2.51 0.21 0.07 1.26 -4.23 -1.26 -4.81 115.64 104.37 3koq s THR 38 Ca 0.57 -1.29 -0.34 0.00 -1.18 0.00 0.00 61.69 59.45 3koq s THR 38 Cb -0.10 -0.79 -0.13 0.00 1.34 0.00 0.00 72.50 72.82 3koq s THR 38 CO 0.30 -0.69 1.71 0.61 -0.54 0.00 0.00 174.62 176.02 3koq n GLY 39 N 0.99 1.31 2.49 3.99 0.00 -1.26 -0.79 105.19 111.92 3koq n GLY 39 Ca -0.20 0.73 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 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 3.85 0.68 2.73 -0.02 0.00 -1.26 -1.58 105.19 109.59 3koq n GLY 40 Ca 0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.34 -3.55 0.23 1.61 5.15 0.03 -4.86 115.26 113.52 3koq n ASN 41 Ca -0.05 0.05 0.11 0.00 -0.60 0.00 0.00 54.58 54.09 3koq n ASN 41 Cb 0.34 -3.01 0.46 0.00 -0.53 0.00 0.00 39.78 37.04 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 -0.30 0.00 -6.27 1.20 2.47 -1.45 -3.48 114.38 106.54 3koq h ARG 42 Ca -0.30 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 58.01 3koq h ARG 42 Cb 1.22 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 29.59 3koq h ARG 42 CO 0.37 0.17 -0.87 1.04 0.56 0.00 0.00 179.97 181.24 3koq n GLN 43 N -3.28 -1.18 -0.01 0.04 6.02 -1.26 -4.82 117.38 112.88 3koq n GLN 43 Ca 0.01 0.58 0.14 0.00 -0.01 0.00 0.00 57.00 57.72 3koq n GLN 43 Cb 0.43 -3.88 0.62 0.00 1.02 0.00 0.00 30.24 28.43 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 -3.77 1.46 -2.39 -1.09 -0.04 -1.26 -4.89 135.00 123.01 3koq n PRO 44 Ca -0.12 -0.67 -0.41 0.00 -0.04 0.00 0.00 63.50 62.27 3koq n PRO 44 Cb 0.59 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.98 4.52 -0.10 0.54 0.00 -1.26 0.11 119.66 121.50 3koq s GLN 45 Ca 0.40 1.86 -0.01 0.00 -0.00 0.00 0.00 55.36 57.61 3koq s GLN 45 Cb 0.20 -3.23 0.03 0.00 0.00 0.00 0.00 33.01 30.01 3koq s GLN 45 CO 0.33 -0.04 -0.04 0.50 0.00 0.00 0.00 175.29 176.05 3koq s ARG 46 N -0.48 1.07 -0.09 9.60 6.06 0.71 -4.91 118.95 130.92 3koq s ARG 46 Ca 0.51 -0.10 -0.01 0.00 -2.50 0.00 0.00 55.73 53.63 3koq s ARG 46 Cb -0.32 -1.33 -0.03 0.00 0.06 0.00 0.00 34.95 33.33 3koq s ARG 46 CO 0.38 -0.30 -0.03 -0.51 -2.50 0.00 0.00 175.30 172.34 3koq s LEU 47 N 1.83 3.39 -0.24 -0.88 1.02 -1.26 -0.31 118.68 122.24 3koq s LEU 47 Ca 0.05 0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.28 3koq s LEU 47 Cb -0.13 -1.77 0.05 0.00 0.02 0.00 0.00 46.19 44.37 3koq s LEU 47 CO -0.07 0.35 -0.13 -0.63 0.02 0.00 0.00 176.35 175.89 3koq s ILE 48 N -0.74 2.17 -0.13 -0.59 1.01 -0.14 -4.98 121.20 117.79 3koq s ILE 48 Ca 0.11 -1.42 -0.28 0.00 0.00 0.00 0.00 60.65 59.06 3koq s ILE 48 Cb -0.11 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 3koq s ILE 48 CO 0.02 0.14 0.95 -0.69 0.00 0.00 0.00 174.94 175.36 3koq s VAL 49 N 1.16 4.81 -0.25 2.92 1.01 -1.26 -1.15 120.40 127.64 3koq s VAL 49 Ca -0.05 1.91 0.01 0.00 0.00 0.00 0.00 61.98 63.85 3koq s VAL 49 Cb -0.18 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.01 3koq s VAL 49 CO -0.07 0.00 -0.04 -0.63 0.00 0.00 0.00 175.10 174.36 3koq s ILE 50 N 2.10 1.57 -0.00 2.22 1.01 0.79 -4.91 121.20 123.98 3koq s ILE 50 Ca 0.45 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3koq s ILE 50 Cb -0.17 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.43 3koq s ILE 50 CO 0.15 -0.16 0.66 0.00 0.00 0.00 0.00 174.94 175.60 3koq n GLN 51 N 4.64 0.14 -4.54 2.79 10.64 -1.26 -1.26 117.38 128.54 3koq n GLN 51 Ca -0.11 -0.70 -0.26 0.00 -1.83 0.00 0.00 57.00 54.10 3koq n GLN 51 Cb 0.44 -0.54 -0.11 0.00 -0.86 0.00 0.00 30.24 29.18 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 -0.09 1.80 0.10 2.61 2.02 -1.26 -4.94 118.70 118.95 3koq s GLU 52 Ca 0.01 -1.95 -0.19 0.00 0.02 0.00 0.00 54.97 52.85 3koq s GLU 52 Cb 0.00 -1.59 -0.07 0.00 0.10 0.00 0.00 34.13 32.57 3koq s GLU 52 CO 0.00 0.08 1.67 -0.22 0.02 0.00 0.00 175.26 176.81 3koq h LYS 53 N 2.02 0.33 -0.81 1.61 3.64 -1.99 -1.60 116.57 119.76 3koq h LYS 53 Ca -0.42 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3koq h LYS 53 Cb 1.25 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 3koq h LYS 53 CO 0.72 0.35 0.48 0.93 -2.27 0.00 0.00 179.45 179.66 3koq h GLU 54 N 0.23 1.11 -0.31 1.90 4.39 -1.99 0.15 114.58 120.07 3koq h GLU 54 Ca 0.08 -0.11 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 3koq h GLU 54 Cb 0.13 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3koq h GLU 54 CO -0.01 0.79 -0.50 0.78 -1.16 0.00 0.00 179.01 178.92 3koq h GLY 55 N 1.12 0.93 0.99 -3.84 0.00 -1.94 -1.13 103.07 99.19 3koq h GLY 55 Ca 0.29 -1.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 3koq h GLY 55 CO -0.05 0.93 0.29 -2.22 0.00 0.00 0.00 176.54 175.49 3koq h ILE 56 N 0.67 1.20 -0.80 2.60 1.08 -1.08 -0.70 117.51 120.48 3koq h ILE 56 Ca 0.03 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 63.91 3koq h ILE 56 Cb 1.09 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 35.30 3koq h ILE 56 CO 0.11 0.23 0.35 0.78 -0.69 0.00 0.00 178.15 178.92 3koq h ASN 57 N 0.79 1.07 -0.21 1.72 2.35 -0.89 -1.12 115.58 119.29 3koq h ASN 57 Ca 0.20 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3koq h ASN 57 Cb 0.09 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3koq h ASN 57 CO -0.03 0.93 0.11 0.11 -1.65 0.00 0.00 177.43 176.90 3koq h LYS 58 N 1.15 0.29 -1.00 0.81 1.57 -0.78 -2.27 116.57 116.34 3koq h LYS 58 Ca 0.27 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3koq h LYS 58 Cb 0.17 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3koq h LYS 58 CO -0.03 0.28 0.66 -0.07 -0.57 0.00 0.00 179.45 179.72 3koq h LEU 59 N 0.23 1.12 -2.40 2.94 3.38 -1.03 -2.33 115.31 117.22 3koq h LEU 59 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3koq h LEU 59 Cb 0.07 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3koq h LEU 59 CO -0.01 0.78 -0.03 0.28 0.09 0.00 0.00 178.44 179.55 3koq h SER 60 N 1.31 0.00 0.74 -0.43 0.02 -0.84 0.34 113.55 114.69 3koq h SER 60 Ca 0.38 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.28 3koq h SER 60 Cb -0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3koq h SER 60 CO -0.11 0.03 -0.25 0.11 -1.14 0.00 0.00 176.83 175.48 3koq h LYS 61 N 0.00 0.00 0.00 3.45 1.57 -0.84 -3.32 116.57 117.42 3koq h LYS 61 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3koq h LYS 61 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3koq h LYS 61 CO 0.00 0.25 -1.79 0.00 -0.57 0.00 0.00 179.45 177.34 3koq n ALA 62 N -2.27 2.26 -3.30 3.86 0.00 -0.06 -4.95 120.51 116.05 3koq n ALA 62 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 3koq n ALA 62 Cb 0.40 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.83 -1.11 -0.39 0.00 0.00 -0.23 -1.48 121.76 115.72 3koq s ALA 63 Ca -0.06 -0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 3koq s ALA 63 Cb 0.08 0.83 0.01 0.00 0.00 0.00 0.00 23.12 24.04 3koq s ALA 63 CO 0.62 -0.78 0.65 1.21 0.00 0.00 0.00 175.76 177.47 3koq s ASN 64 N -2.83 6.39 -0.13 0.00 3.84 -1.26 -4.15 114.94 116.80 3koq s ASN 64 Ca 0.06 -0.05 0.16 0.00 0.21 0.00 0.00 52.86 53.24 3koq s ASN 64 Cb -0.01 -2.33 0.62 0.00 -0.55 0.00 0.00 41.25 38.99 3koq s ASN 64 CO -0.07 -0.69 1.54 2.30 -2.79 0.00 0.00 177.10 177.39 3koq n ILE 65 N 5.73 1.97 -3.68 -5.21 -5.35 -1.26 -4.98 119.36 106.58 3koq n ILE 65 Ca -0.01 -1.38 -0.28 0.00 -0.27 0.00 0.00 62.75 60.81 3koq n ILE 65 Cb 0.48 0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.42 3koq n ILE 65 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3koq n TYR 66 N 0.53 -2.05 -2.29 4.28 4.01 -1.26 -0.90 117.16 119.48 3koq n TYR 66 Ca 0.23 0.72 -0.11 0.00 -0.16 0.00 0.00 57.90 58.57 3koq n TYR 66 Cb 0.87 -3.59 -0.01 0.00 -0.31 0.00 0.00 39.34 36.30 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 -2.61 -3.51 -4.78 7.72 8.00 -1.26 -4.39 116.55 115.73 3koq n ASP 67 Ca 0.01 0.23 -0.41 0.00 0.71 0.00 0.00 54.79 55.34 3koq n ASP 67 Cb 0.54 -3.04 -0.00 0.00 -0.02 0.00 0.00 41.12 38.59 3koq n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koq s ALA 68 N -2.47 3.52 -0.77 2.24 0.00 -0.07 -4.83 121.76 119.38 3koq s ALA 68 Ca 0.00 1.53 0.26 0.00 0.00 0.00 0.00 51.96 53.75 3koq s ALA 68 Cb 0.00 -3.59 0.86 0.00 0.00 0.00 0.00 23.12 20.38 3koq s ALA 68 CO 0.00 -1.04 1.78 -0.35 0.00 0.00 0.00 175.76 176.16 3koq n PRO 69 N 0.39 0.22 -3.89 0.00 -0.04 -1.26 -4.82 135.00 125.60 3koq n PRO 69 Ca 0.01 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 3koq n PRO 69 Cb 0.40 -1.76 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 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 -4.30 2.02 -0.01 1.53 1.98 -1.26 -4.56 118.68 114.08 3koq s LEU 70 Ca 0.11 -0.04 -0.03 0.00 -2.89 0.00 0.00 54.13 51.28 3koq s LEU 70 Cb 0.13 -0.01 0.00 0.00 0.66 0.00 0.00 46.19 46.98 3koq s LEU 70 CO 0.59 -0.02 0.07 0.00 -1.89 0.00 0.00 176.35 175.10 3koq s ALA 71 N -0.11 -0.16 -0.16 5.97 0.00 -0.39 -4.43 121.76 122.49 3koq s ALA 71 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.94 3koq s ALA 71 Cb -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3koq s ALA 71 CO -0.00 -0.10 -0.19 0.42 0.00 0.00 0.00 175.76 175.89 3koq s ILE 72 N -0.58 1.93 -0.29 0.00 1.01 0.61 -0.15 121.20 123.73 3koq s ILE 72 Ca -0.07 -0.87 -0.23 0.00 0.00 0.00 0.00 60.65 59.49 3koq s ILE 72 Cb -0.04 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3koq s ILE 72 CO 0.00 0.52 0.74 -0.22 0.00 0.00 0.00 174.94 175.99 3koq s LEU 73 N 1.17 4.09 -0.37 2.97 2.96 -0.30 -1.33 118.68 127.87 3koq s LEU 73 Ca 0.01 0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 54.51 3koq s LEU 73 Cb -0.14 -3.02 0.03 0.00 0.50 0.00 0.00 46.19 43.56 3koq s LEU 73 CO -0.09 -0.54 0.19 -0.69 -1.32 0.00 0.00 176.35 173.91 3koq s VAL 74 N 2.81 4.50 0.26 1.68 1.01 0.47 -0.97 120.40 130.16 3koq s VAL 74 Ca 0.31 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3koq s VAL 74 Cb -0.15 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3koq s VAL 74 CO 0.11 -0.21 0.23 0.00 0.00 0.00 0.00 175.10 175.23 3koq s GLY 76 N -3.88 1.27 -0.47 0.00 0.00 -0.11 -0.21 107.32 103.92 3koq s GLY 76 Ca 0.34 -0.98 -0.19 0.00 0.00 0.00 0.00 44.72 43.90 3koq s GLY 76 CO 0.26 -0.50 0.56 -0.35 0.00 0.00 0.00 173.10 173.06 3koq s ASP 77 N 0.04 6.22 0.09 1.64 -1.08 0.12 -1.33 116.67 122.37 3koq s ASP 77 Ca -0.09 -0.81 0.20 0.00 -0.52 0.00 0.00 52.55 51.33 3koq s ASP 77 Cb -0.15 -2.27 0.83 0.00 -1.46 0.00 0.00 42.92 39.87 3koq s ASP 77 CO 0.05 -0.77 1.63 2.29 0.52 0.00 0.00 175.17 178.89 3koq n LYS 78 N 5.94 0.07 0.04 4.34 2.85 -0.02 -1.53 118.16 129.85 3koq n LYS 78 Ca -0.07 0.25 0.14 0.00 -1.05 0.00 0.00 58.31 57.58 3koq n LYS 78 Cb 0.46 -1.62 0.53 0.00 -0.65 0.00 0.00 35.03 33.75 3koq n LYS 78 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3koq n ASP 79 N -1.76 0.32 -0.06 -5.58 8.00 -1.26 -4.10 116.55 112.11 3koq n ASP 79 Ca 0.04 0.52 -0.07 0.00 0.71 0.00 0.00 54.79 55.98 3koq n ASP 79 Cb 0.23 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.79 0.98 -1.71 -1.24 5.02 -0.58 -5.06 118.16 113.77 3koq n LYS 80 Ca 0.06 0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 3koq n LYS 80 Cb 0.38 -1.25 0.05 0.00 -0.02 0.00 0.00 35.03 34.18 3koq n LYS 80 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3koq n VAL 81 N -2.70 3.99 -2.24 -0.18 3.14 -0.66 -4.83 118.33 114.85 3koq n VAL 81 Ca -0.20 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.28 3koq n VAL 81 Cb 0.76 -1.53 -0.02 0.00 -1.06 0.00 0.00 33.84 31.99 3koq n VAL 81 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 3koq s TRP 82 N -1.34 3.14 -0.10 1.45 -0.00 -1.26 -4.92 118.94 115.90 3koq s TRP 82 Ca 0.74 1.52 0.03 0.00 -0.00 0.00 0.00 56.10 58.39 3koq s TRP 82 Cb -0.42 -3.50 -0.01 0.00 -0.00 0.00 0.00 33.47 29.55 3koq s TRP 82 CO 0.47 -1.43 -0.20 0.99 -0.00 0.00 0.00 176.95 176.78 3koq s THR 83 N -1.25 2.42 -0.02 5.86 2.01 -1.26 -2.35 115.64 121.05 3koq s THR 83 Ca 0.52 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 3koq s THR 83 Cb -0.35 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 3koq s THR 83 CO 0.45 0.55 1.06 -0.60 -0.69 0.00 0.00 174.62 175.39 3koq s ARG 84 N 0.24 4.48 0.39 4.92 3.52 0.11 -4.94 118.95 127.67 3koq s ARG 84 Ca -0.13 1.52 0.12 0.00 -0.13 0.00 0.00 55.73 57.10 3koq s ARG 84 Cb -0.17 -3.47 0.81 0.00 -1.56 0.00 0.00 34.95 30.57 3koq s ARG 84 CO 0.07 -0.20 1.90 -1.00 -0.81 0.00 0.00 175.30 175.26 3koq h PRO 85 N 6.95 0.10 -0.46 5.12 0.13 -1.95 0.86 132.00 142.74 3koq h PRO 85 Ca -0.38 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 3koq h PRO 85 Cb 1.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3koq h PRO 85 CO 0.80 0.33 0.12 0.74 -0.23 0.00 0.00 178.00 179.76 3koq h PHE 86 N 0.09 0.78 0.00 1.56 0.04 -1.98 -3.37 116.94 114.07 3koq h PHE 86 Ca 0.02 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3koq h PHE 86 Cb 0.46 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3koq h PHE 86 CO 0.00 0.71 0.00 -0.40 -0.60 0.00 0.00 178.31 178.02 3koq n ASP 87 N -4.50 0.31 -0.01 2.17 5.75 -1.21 -5.02 116.55 114.04 3koq n ASP 87 Ca 0.01 -1.00 -0.00 0.00 -0.01 0.00 0.00 54.79 53.79 3koq n ASP 87 Cb 0.21 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.30 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 -0.00 0.42 3.72 6.12 0.00 0.29 -4.99 105.19 110.75 3koq n GLY 88 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3koq n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3koq n LYS 89 N -2.30 2.74 -4.19 1.61 4.81 -1.24 -4.55 118.16 115.04 3koq n LYS 89 Ca -0.00 0.99 -0.33 0.00 -0.87 0.00 0.00 58.31 58.10 3koq n LYS 89 Cb 0.09 -2.82 -0.08 0.00 0.02 0.00 0.00 35.03 32.24 3koq n LYS 89 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3koq s GLN 90 N 0.76 2.95 -0.04 1.64 -0.21 -1.26 0.08 119.66 123.57 3koq s GLN 90 Ca 0.73 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.61 3koq s GLN 90 Cb -0.51 -2.78 0.15 0.00 1.00 0.00 0.00 33.01 30.87 3koq s GLN 90 CO 0.36 0.65 0.75 1.28 -2.12 0.00 0.00 175.29 176.21 3koq n LEU 91 N 1.37 1.78 -0.09 2.90 4.77 -0.99 -4.53 117.00 122.22 3koq n LEU 91 Ca -0.14 -0.90 -0.07 0.00 -0.03 0.00 0.00 56.01 54.86 3koq n LEU 91 Cb 0.53 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3koq n LEU 91 CO 0.35 0.31 0.95 0.74 -1.33 0.00 0.00 177.39 178.41 3koq h THR 92 N 0.73 0.95 -0.04 -5.08 2.02 -1.95 0.13 112.91 109.67 3koq h THR 92 Ca 0.00 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 3koq h THR 92 Cb 0.73 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3koq h THR 92 CO 0.08 0.05 -0.72 0.44 0.37 0.00 0.00 175.52 175.75 3koq h ASP 93 N 0.29 0.29 0.30 4.18 5.19 -2.00 -2.73 116.42 121.94 3koq h ASP 93 Ca 0.14 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 3koq h ASP 93 Cb 0.08 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3koq h ASP 93 CO -0.11 0.91 -0.14 0.40 -3.12 0.00 0.00 179.24 177.17 3koq h ILE 94 N 0.16 0.57 -0.28 0.35 2.04 -1.64 -1.89 117.51 116.82 3koq h ILE 94 Ca -0.02 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.11 3koq h ILE 94 Cb 1.28 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 3koq h ILE 94 CO 0.11 0.12 -0.10 0.44 0.00 0.00 0.00 178.15 178.73 3koq h ASP 95 N -0.91 -0.34 0.36 1.72 3.32 -0.89 -0.39 116.42 119.28 3koq h ASP 95 Ca -0.04 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3koq h ASP 95 Cb 0.51 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3koq h ASP 95 CO 0.07 -0.13 -0.31 0.71 -1.72 0.00 0.00 179.24 177.86 3koq h THR 96 N -0.04 1.16 0.01 0.35 1.35 -1.56 -2.12 112.91 112.06 3koq h THR 96 Ca 0.14 -1.10 -0.24 0.00 -0.55 0.00 0.00 66.41 64.66 3koq h THR 96 Cb 0.26 1.60 0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3koq h THR 96 CO -0.31 0.31 -0.99 0.28 -0.25 0.00 0.00 175.52 174.55 3koq h SER 97 N 0.00 0.62 -0.38 5.36 0.02 -0.71 0.44 113.55 118.89 3koq h SER 97 Ca -0.00 -0.51 0.03 0.00 -0.84 0.00 0.00 61.79 60.46 3koq h SER 97 Cb 0.58 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3koq h SER 97 CO 0.04 1.32 0.20 0.40 -1.14 0.00 0.00 176.83 177.64 3koq h ILE 98 N 0.26 0.99 -0.24 3.27 2.04 -0.89 0.38 117.51 123.31 3koq h ILE 98 Ca -0.10 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3koq h ILE 98 Cb 1.64 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3koq h ILE 98 CO 0.18 0.07 0.15 0.58 0.00 0.00 0.00 178.15 179.13 3koq h VAL 99 N 0.40 1.04 -0.64 1.67 2.07 -1.23 -0.74 116.25 118.81 3koq h VAL 99 Ca 0.16 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 3koq h VAL 99 Cb 0.06 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3koq h VAL 99 CO -0.11 0.06 0.19 0.74 0.02 0.00 0.00 177.57 178.47 3koq h THR 100 N 0.30 1.24 -0.14 2.57 2.02 -0.68 -3.04 112.91 115.19 3koq h THR 100 Ca 0.09 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 3koq h THR 100 Cb -0.01 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3koq h THR 100 CO -0.04 0.33 -0.06 -0.78 0.37 0.00 0.00 175.52 175.34 3koq h ASP 101 N 0.95 0.30 0.00 4.18 3.58 -0.68 -3.42 116.42 121.33 3koq h ASP 101 Ca 0.21 -0.41 -0.35 0.00 0.42 0.00 0.00 57.03 56.91 3koq h ASP 101 Cb 0.29 -0.08 0.09 0.00 1.72 0.00 0.00 39.33 41.34 3koq h ASP 101 CO -0.01 0.64 1.04 1.41 -2.88 0.00 0.00 179.24 179.45 3koq n HIS 102 N -4.67 0.00 0.00 0.28 8.25 -0.31 -4.58 115.22 114.19 3koq n HIS 102 Ca -0.06 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 3koq n HIS 102 Cb 0.29 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.77 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 6.86 0.00 -0.17 2.41 4.77 -1.26 -4.60 117.00 125.01 3koq n LEU 105 Ca 0.28 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 3koq n LEU 105 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3koq n LEU 105 CO 0.83 0.00 0.86 -0.61 -1.33 0.00 0.00 177.39 177.14 3koq h GLN 106 N 0.00 0.79 -0.91 3.23 5.75 -1.95 -1.94 115.11 120.08 3koq h GLN 106 Ca 0.00 -0.21 0.08 0.00 -0.15 0.00 0.00 58.65 58.37 3koq h GLN 106 Cb 0.00 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.39 3koq h GLN 106 CO 0.00 0.79 0.57 0.00 -2.65 0.00 0.00 178.83 177.54 3koq h ALA 107 N 0.97 1.29 -0.71 3.38 0.00 -1.92 -1.72 119.26 120.55 3koq h ALA 107 Ca 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3koq h ALA 107 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3koq h ALA 107 CO 0.01 0.28 0.21 1.15 0.00 0.00 0.00 179.25 180.90 3koq h THR 108 N 1.00 1.26 0.00 0.00 2.02 -1.53 -1.73 112.91 113.93 3koq h THR 108 Ca 0.41 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 3koq h THR 108 Cb 0.25 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3koq h THR 108 CO -0.20 0.36 -0.07 -0.08 0.37 0.00 0.00 175.52 175.90 3koq h GLU 109 N 1.05 0.00 -0.50 6.66 4.81 -0.58 -2.49 114.58 123.52 3koq h GLU 109 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3koq h GLU 109 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3koq h GLU 109 CO -0.00 0.07 0.00 1.28 -0.73 0.00 0.00 179.01 179.62 3koq n LEU 110 N -4.45 2.70 0.00 1.64 4.77 -0.72 -4.90 117.00 116.05 3koq n LEU 110 Ca -0.03 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.60 3koq n LEU 110 Cb 0.15 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3koq n LEU 110 CO 0.35 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3koq n GLY 111 N 1.13 0.71 3.79 -0.72 0.00 -0.94 -5.03 105.19 104.13 3koq n GLY 111 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 4.55 0.52 0.99 1.43 -0.79 -4.86 118.68 120.52 3koq s LEU 112 Ca 0.00 1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 3koq s LEU 112 Cb 0.00 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 3koq s LEU 112 CO 0.00 0.21 0.93 0.00 0.23 0.00 0.00 176.35 177.72 3koq s ALA 113 N -1.18 3.18 0.17 4.21 0.00 0.13 -4.02 121.76 124.25 3koq s ALA 113 Ca 0.34 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.05 3koq s ALA 113 Cb -0.21 -2.95 0.04 0.00 0.00 0.00 0.00 23.12 19.99 3koq s ALA 113 CO 0.23 -0.35 0.51 -1.54 0.00 0.00 0.00 175.76 174.62 3koq s SER 114 N -3.57 -0.32 -0.11 0.00 1.04 -1.26 -1.57 113.70 107.91 3koq s SER 114 Ca 0.55 -0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 3koq s SER 114 Cb -0.10 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.61 3koq s SER 114 CO 0.40 -0.98 0.27 0.54 0.98 0.00 0.00 173.24 174.45 3koq s VAL 115 N -3.83 -0.02 0.08 5.02 0.11 -0.71 -0.57 120.40 120.48 3koq s VAL 115 Ca 0.06 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.88 3koq s VAL 115 Cb -0.00 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 3koq s VAL 115 CO -0.07 0.03 0.92 0.86 -3.33 0.00 0.00 175.10 173.50 3koq s TRP 116 N 0.68 3.78 -0.17 1.54 -0.11 -1.26 -1.52 118.94 121.88 3koq s TRP 116 Ca -0.04 1.72 -0.00 0.00 1.22 0.00 0.00 56.10 58.99 3koq s TRP 116 Cb -0.06 -3.01 0.04 0.00 -1.50 0.00 0.00 33.47 28.94 3koq s TRP 116 CO -0.04 0.20 -0.05 0.08 -4.62 0.00 0.00 176.95 172.51 3koq s VAL 117 N 0.10 1.12 -0.66 5.86 1.01 0.13 -4.94 120.40 123.02 3koq s VAL 117 Ca 0.46 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3koq s VAL 117 Cb -0.22 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3koq s VAL 117 CO 0.28 0.13 0.58 0.00 0.00 0.00 0.00 175.10 176.09 3koq n TYR 119 N -0.04 3.67 -4.16 0.00 4.19 -1.26 -4.89 117.16 114.67 3koq n TYR 119 Ca 0.03 -2.95 -0.10 0.00 3.31 0.00 0.00 57.90 58.19 3koq n TYR 119 Cb 0.14 -2.26 -0.10 0.00 0.49 0.00 0.00 39.34 37.61 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 1.91 0.85 -0.47 2.98 -0.12 -1.26 -4.58 117.98 117.28 3koq s PHE 120 Ca 0.44 -0.97 -0.22 0.00 -0.05 0.00 0.00 56.93 56.14 3koq s PHE 120 Cb 0.08 -0.50 0.03 0.00 -0.63 0.00 0.00 43.02 42.00 3koq s PHE 120 CO -0.01 -0.21 0.73 1.21 -0.05 0.00 0.00 175.22 176.88 3koq s ASN 121 N -3.03 6.34 0.41 1.98 3.84 -0.55 -4.93 114.94 118.99 3koq s ASN 121 Ca 0.12 -0.36 0.19 0.00 0.21 0.00 0.00 52.86 53.02 3koq s ASN 121 Cb 0.06 -2.35 0.86 0.00 -0.55 0.00 0.00 41.25 39.27 3koq s ASN 121 CO -0.05 -0.91 1.84 1.55 -2.79 0.00 0.00 177.10 176.74 3koq h PRO 122 N 8.99 0.00 -0.45 0.43 0.13 -1.94 -2.26 132.00 136.90 3koq h PRO 122 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.80 3koq h PRO 122 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3koq h PRO 122 CO 0.95 0.32 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.58 3koq h ASP 123 N 0.00 0.80 -0.57 1.44 3.32 -1.99 0.68 116.42 120.10 3koq h ASP 123 Ca -0.00 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 3koq h ASP 123 Cb 0.69 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3koq h ASP 123 CO 0.04 0.93 0.19 0.40 -1.72 0.00 0.00 179.24 179.08 3koq h ILE 124 N 0.65 1.24 -0.51 0.35 2.04 -1.92 -1.02 117.51 118.34 3koq h ILE 124 Ca 0.12 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3koq h ILE 124 Cb 0.54 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3koq h ILE 124 CO 0.03 0.30 0.31 0.40 0.00 0.00 0.00 178.15 179.18 3koq h ILE 125 N 0.80 1.16 -0.60 -0.67 1.08 -1.15 0.54 117.51 118.68 3koq h ILE 125 Ca 0.19 -0.35 0.02 0.00 -0.39 0.00 0.00 64.86 64.32 3koq h ILE 125 Cb 0.27 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 3koq h ILE 125 CO -0.01 0.16 0.38 0.03 -0.69 0.00 0.00 178.15 178.02 3koq h ARG 126 N 0.68 0.75 0.12 2.37 3.08 -0.58 -1.43 114.38 119.37 3koq h ARG 126 Ca 0.18 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3koq h ARG 126 Cb -0.01 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3koq h ARG 126 CO -0.03 0.49 -0.06 1.49 -1.07 0.00 0.00 179.97 180.79 3koq h GLU 127 N 0.77 -0.15 -0.53 0.04 4.81 -0.95 -0.15 114.58 118.42 3koq h GLU 127 Ca 0.23 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3koq h GLU 127 Cb -0.04 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3koq h GLU 127 CO -0.07 0.20 0.12 0.93 -0.73 0.00 0.00 179.01 179.46 3koq h GLU 128 N -0.52 0.82 -0.70 1.92 4.39 -0.77 -2.67 114.58 117.04 3koq h GLU 128 Ca -0.02 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3koq h GLU 128 Cb 0.42 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3koq h GLU 128 CO 0.03 0.74 0.00 1.19 -1.16 0.00 0.00 179.01 179.81 3koq n PHE 129 N -4.27 0.94 -4.04 4.33 3.72 -0.55 -4.97 117.46 112.61 3koq n PHE 129 Ca 0.04 -0.47 -0.27 0.00 -0.05 0.00 0.00 57.45 56.70 3koq n PHE 129 Cb 0.23 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.56 -0.10 -4.73 4.37 7.64 -0.68 -4.89 113.62 116.78 3koq n SER 130 Ca 0.23 -1.08 -0.41 0.00 1.01 0.00 0.00 58.87 58.62 3koq n SER 130 Cb 0.59 -2.68 -0.03 0.00 -1.01 0.00 0.00 64.21 61.08 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 -7.07 4.42 0.97 -3.43 1.43 -0.15 -5.01 118.68 109.83 3koq s LEU 131 Ca 0.01 2.21 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 3koq s LEU 131 Cb -0.01 -3.60 0.17 0.00 0.03 0.00 0.00 46.19 42.79 3koq s LEU 131 CO 0.92 -0.44 1.09 -2.16 0.23 0.00 0.00 176.35 175.98 3koq s PRO 132 N 0.26 0.68 0.50 1.29 0.04 -1.26 -4.91 135.00 131.59 3koq s PRO 132 Ca 0.56 0.72 0.22 0.00 0.04 0.00 0.00 61.00 62.53 3koq s PRO 132 Cb -0.33 -1.75 1.30 0.00 0.04 0.00 0.00 34.50 33.77 3koq s PRO 132 CO 0.34 -2.61 2.07 -0.44 0.04 0.00 0.00 177.00 176.40 3koq h ASP 133 N -1.81 0.00 1.13 6.66 3.32 -2.01 -1.88 116.42 121.82 3koq h ASP 133 Ca -0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3koq h ASP 133 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3koq h ASP 133 CO 0.55 0.12 0.00 -0.46 -1.72 0.00 0.00 179.24 177.73 3koq n ASN 134 N -4.01 0.47 -4.54 6.45 6.94 -1.26 -4.74 115.26 114.57 3koq n ASN 134 Ca -0.02 0.56 -0.34 0.00 -0.02 0.00 0.00 54.58 54.75 3koq n ASN 134 Cb 0.21 -0.68 -0.11 0.00 -2.36 0.00 0.00 39.78 36.84 3koq n ASN 134 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3koq s LEU 135 N -3.91 3.47 -0.14 -4.53 1.43 -0.71 -0.84 118.68 113.46 3koq s LEU 135 Ca 0.10 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3koq s LEU 135 Cb 0.14 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3koq s LEU 135 CO 0.51 0.14 -0.13 -0.70 0.23 0.00 0.00 176.35 176.41 3koq s GLU 136 N 0.52 3.35 -0.05 1.70 2.12 -0.44 -4.74 118.70 121.16 3koq s GLU 136 Ca -0.00 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.33 3koq s GLU 136 Cb -0.14 -2.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 3koq s GLU 136 CO 0.02 0.16 1.13 -1.25 -0.54 0.00 0.00 175.26 174.78 3koq s PRO 137 N 0.47 4.40 -0.10 4.30 0.04 -1.26 -0.94 135.00 141.91 3koq s PRO 137 Ca -0.10 1.58 -0.08 0.00 0.04 0.00 0.00 61.00 62.45 3koq s PRO 137 Cb -0.16 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.82 3koq s PRO 137 CO 0.05 -0.35 -0.18 -0.89 0.04 0.00 0.00 177.00 175.67 3koq n ILE 138 N 4.44 0.98 -4.35 0.56 2.08 0.32 -4.97 119.36 118.43 3koq n ILE 138 Ca 0.10 -0.02 -0.20 0.00 0.56 0.00 0.00 62.75 63.19 3koq n ILE 138 Cb 0.47 -1.79 -0.13 0.00 -0.75 0.00 0.00 39.64 37.44 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 -6.13 1.55 -0.19 4.38 0.01 -1.01 -4.80 114.94 108.75 3koq s ASN 139 Ca -0.17 -0.42 -0.02 0.00 -0.71 0.00 0.00 52.86 51.54 3koq s ASN 139 Cb 0.05 -0.10 -0.00 0.00 0.41 0.00 0.00 41.25 41.61 3koq s ASN 139 CO 0.23 0.03 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.12 3koq s ILE 140 N -0.79 2.91 -0.26 0.60 1.01 -0.08 -0.39 121.20 124.19 3koq s ILE 140 Ca 0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 3koq s ILE 140 Cb -0.07 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3koq s ILE 140 CO 0.01 0.47 0.07 -0.22 0.00 0.00 0.00 174.94 175.28 3koq s LEU 141 N 1.25 3.53 0.46 2.97 2.96 -0.44 0.21 118.68 129.63 3koq s LEU 141 Ca 0.03 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 3koq s LEU 141 Cb -0.14 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3koq s LEU 141 CO -0.05 -0.08 0.64 -0.76 -1.32 0.00 0.00 176.35 174.78 3koq s LEU 142 N 1.59 3.54 0.00 -0.68 1.43 -0.58 -0.29 118.68 123.70 3koq s LEU 142 Ca 0.06 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3koq s LEU 142 Cb -0.16 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.31 3koq s LEU 142 CO 0.03 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.35 3koq n GLY 144 N -2.01 0.73 3.27 -3.19 0.00 -0.61 -1.74 105.19 101.63 3koq n GLY 144 Ca 0.07 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.36 2.73 0.22 1.61 2.02 -1.26 0.20 117.35 119.51 3koq s TYR 145 Ca 0.00 -0.98 -0.32 0.00 -0.37 0.00 0.00 57.07 55.41 3koq s TYR 145 Cb 0.00 -1.83 -0.13 0.00 -0.40 0.00 0.00 41.96 39.60 3koq s TYR 145 CO 0.00 -0.41 1.48 -1.91 -1.57 0.00 0.00 175.55 173.14 3koq n GLU 146 N 3.81 2.16 0.02 -0.62 4.07 -1.26 -0.72 120.64 128.09 3koq n GLU 146 Ca -0.19 0.77 0.11 0.00 -0.06 0.00 0.00 57.16 57.79 3koq n GLU 146 Cb 0.52 -2.48 -0.09 0.00 -0.06 0.00 0.00 31.44 29.34 3koq n GLU 146 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3koq n SER 147 N 2.56 0.43 0.00 4.31 3.41 -0.28 -4.63 113.62 119.42 3koq n SER 147 Ca 0.13 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3koq n SER 147 Cb 0.31 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 3koq n SER 147 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3koq n LYS 148 N -2.12 1.12 -4.28 4.33 5.02 -1.26 -4.98 118.16 115.99 3koq n LYS 148 Ca -0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 3koq n LYS 148 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.40 3koq n LYS 148 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3koq s ILE 149 N 4.11 4.26 0.67 -0.18 1.01 -1.26 -5.08 121.20 124.72 3koq s ILE 149 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 3koq s ILE 149 Cb 0.00 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3koq s ILE 149 CO 0.00 0.51 1.25 -2.16 0.00 0.00 0.00 174.94 174.54 3koq s PRO 150 N 0.08 2.45 0.65 2.79 0.04 -1.26 -4.98 135.00 134.77 3koq s PRO 150 Ca 0.02 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 3koq s PRO 150 Cb -0.13 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 3koq s PRO 150 CO 0.02 -1.64 1.19 -1.21 0.04 0.00 0.00 177.00 175.40 3koq s GLU 151 N -3.55 2.64 0.31 4.56 0.41 -1.26 -4.98 118.70 116.83 3koq s GLU 151 Ca 0.79 1.73 -0.29 0.00 -0.41 0.00 0.00 54.97 56.80 3koq s GLU 151 Cb -0.34 -1.90 -0.10 0.00 -1.78 0.00 0.00 34.13 30.02 3koq s GLU 151 CO 0.41 -1.44 1.18 0.45 -0.49 0.00 0.00 175.26 175.36 3koq s SER 152 N -1.92 7.02 0.15 -0.19 0.15 -1.26 -4.92 113.70 112.74 3koq s SER 152 Ca 0.75 2.42 0.18 0.00 0.70 0.00 0.00 55.95 60.00 3koq s SER 152 Cb -0.28 -2.63 0.79 0.00 -1.71 0.00 0.00 66.02 62.18 3koq s SER 152 CO 0.39 -0.33 1.56 -0.81 1.20 0.00 0.00 173.24 175.24 3koq n PRO 153 N 0.93 0.10 -1.01 5.44 -0.04 -1.26 -2.51 135.00 136.65 3koq n PRO 153 Ca -0.00 0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 63.73 3koq n PRO 153 Cb 0.44 -1.72 0.18 0.00 -0.04 0.00 0.00 33.50 32.36 3koq n PRO 153 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3koq n GLU 154 N -1.92 2.07 0.08 0.54 -0.58 -1.26 -4.67 120.64 114.90 3koq n GLU 154 Ca 0.02 -3.20 0.13 0.00 -0.42 0.00 0.00 57.16 53.69 3koq n GLU 154 Cb 0.17 -1.96 0.45 0.00 -0.57 0.00 0.00 31.44 29.53 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 -1.10 0.19 0.24 3.49 1.85 -1.05 -4.34 116.66 115.95 3koq n ARG 155 Ca 0.42 0.15 0.12 0.00 -1.00 0.00 0.00 57.85 57.55 3koq n ARG 155 Cb 1.18 -1.72 0.54 0.00 -1.05 0.00 0.00 32.46 31.41 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 -0.83 2.89 -0.00 -1.86 -0.58 115.15 114.78 3koq h HIS 156 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.53 3koq h HIS 156 Cb 0.67 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.02 3koq h HIS 156 CO 0.00 0.15 0.54 1.49 -0.00 0.00 0.00 177.93 180.12 3koq h GLU 157 N 0.00 0.47 0.01 2.45 4.57 -1.87 -0.55 114.58 119.66 3koq h GLU 157 Ca -0.00 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 57.83 3koq h GLU 157 Cb 0.65 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 3koq h GLU 157 CO 0.02 0.31 -1.90 1.63 -1.18 0.00 0.00 179.01 177.90 3koq n LYS 158 N -4.51 0.65 -0.10 1.92 5.02 -0.31 -4.56 118.16 116.27 3koq n LYS 158 Ca 0.16 0.22 0.10 0.00 -2.02 0.00 0.00 58.31 56.77 3koq n LYS 158 Cb 0.55 -1.72 0.14 0.00 -0.02 0.00 0.00 35.03 33.98 3koq n LYS 158 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3koq n THR 159 N -3.01 0.33 -4.14 -0.18 -2.24 -0.67 -4.96 114.28 99.41 3koq n THR 159 Ca -0.22 -0.67 -0.15 0.00 -2.27 0.00 0.00 64.05 60.74 3koq n THR 159 Cb 1.07 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 70.29 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 -1.41 0.60 0.81 -0.78 1.81 -0.25 -5.01 118.95 114.73 3koq s ARG 160 Ca 0.28 -0.67 -0.11 0.00 -1.72 0.00 0.00 55.73 53.51 3koq s ARG 160 Cb 0.18 -0.48 0.08 0.00 -0.45 0.00 0.00 34.95 34.28 3koq s ARG 160 CO 0.25 0.11 1.09 0.14 -0.68 0.00 0.00 175.30 176.21 3koq s VAL 161 N -1.05 3.13 0.59 3.52 -7.23 -1.26 -4.80 120.40 113.30 3koq s VAL 161 Ca -0.05 0.37 -0.20 0.00 -1.81 0.00 0.00 61.98 60.29 3koq s VAL 161 Cb -0.08 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 3koq s VAL 161 CO 0.01 -0.48 1.21 -2.65 -0.31 0.00 0.00 175.10 172.88 3koq n PRO 162 N -3.64 1.27 -0.35 4.82 -0.02 -1.26 -4.89 135.00 130.93 3koq n PRO 162 Ca 0.09 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3koq n PRO 162 Cb 0.53 -2.43 0.30 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.87 0.78 -2.33 2.45 5.85 -2.00 -1.30 115.31 119.64 3koq h LEU 163 Ca -0.50 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3koq h LEU 163 Cb 1.33 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3koq h LEU 163 CO 0.54 0.30 0.00 0.77 -0.34 0.00 0.00 178.44 179.71 3koq h SER 164 N 0.79 0.00 1.64 1.25 4.64 -1.90 -1.13 113.55 118.84 3koq h SER 164 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3koq h SER 164 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3koq h SER 164 CO -0.37 0.00 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.10 3koq h GLU 165 N 0.00 0.00 -0.00 4.77 5.08 -1.59 -3.35 114.58 119.49 3koq h GLU 165 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3koq h GLU 165 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3koq h GLU 165 CO 0.00 0.00 -0.33 0.44 -1.00 0.00 0.00 179.01 178.12 3koq n ILE 166 N -2.73 0.00 -5.09 3.13 -5.35 -0.46 -5.01 119.36 103.85 3koq n ILE 166 Ca 0.04 -0.34 -0.30 0.00 -0.27 0.00 0.00 62.75 61.88 3koq n ILE 166 Cb 0.50 1.06 -0.17 0.00 -1.74 0.00 0.00 39.64 39.29 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 -1.63 1.84 0.33 7.28 1.01 -0.98 -5.14 120.40 123.12 3koq s VAL 167 Ca 0.06 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3koq s VAL 167 Cb 0.08 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 3koq s VAL 167 CO 0.32 0.51 0.07 -0.94 0.00 0.00 0.00 175.10 175.06 3koq s SER 168 N 0.20 2.35 -0.18 3.32 1.04 -1.26 -4.77 113.70 114.40 3koq s SER 168 Ca -0.12 -1.41 -0.01 0.00 0.48 0.00 0.00 55.95 54.89 3koq s SER 168 Cb -0.16 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.95 3koq s SER 168 CO 0.06 -0.65 -0.13 -0.31 0.98 0.00 0.00 173.24 173.20 3koq s TYR 169 N -3.31 2.84 0.00 5.02 1.51 -1.26 -4.81 117.35 117.34 3koq s TYR 169 Ca 0.35 -1.10 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 3koq s TYR 169 Cb 0.08 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 3koq s TYR 169 CO 0.15 -0.55 0.00 0.39 -1.11 0.00 0.00 175.55 174.44 3koq n GLU 170 N 4.37 0.00 -4.49 -0.62 -0.58 -1.26 -4.77 120.64 113.29 3koq n GLU 170 Ca -0.19 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.32 3koq n GLU 170 Cb 0.51 -0.12 -0.10 0.00 -0.57 0.00 0.00 31.44 31.16 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 1.28 -2.00 2.62 -4.23 -1.26 -5.35 115.64 106.70 3koq s THR 171 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3koq s THR 171 Cb 0.00 -2.79 0.10 0.00 1.34 0.00 0.00 72.50 71.15 3koq s THR 171 CO 0.00 0.00 0.69 0.18 -0.54 0.00 0.00 174.62 174.95