#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yvk n LEU 6 N 0.00 1.06 -4.46 3.14 7.94 -1.26 -4.93 117.00 118.49 1yvk n LEU 6 Ca 0.00 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.62 1yvk n LEU 6 Cb 0.00 -1.15 -0.10 0.00 0.53 0.00 0.00 43.42 42.70 1yvk n LEU 6 CO 0.00 -1.54 -0.08 -0.60 -1.11 0.00 0.00 177.39 174.06 1yvk s ARG 7 N -0.36 3.02 -0.13 1.96 3.52 0.42 -4.92 118.95 122.46 1yvk s ARG 7 Ca 0.75 -0.98 -0.06 0.00 -0.13 0.00 0.00 55.73 55.31 1yvk s ARG 7 Cb -0.92 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 28.48 1yvk s ARG 7 CO 0.53 -0.71 0.08 0.42 -0.81 0.00 0.00 175.30 174.81 1yvk s ILE 8 N 1.68 4.98 0.07 4.11 1.01 -1.26 0.33 121.20 132.12 1yvk s ILE 8 Ca 0.05 0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 1yvk s ILE 8 Cb -0.19 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.11 1yvk s ILE 8 CO 0.10 0.56 0.23 -1.83 0.00 0.00 0.00 174.94 174.00 1yvk s GLU 9 N -0.48 0.81 0.79 2.79 -1.05 0.21 -4.98 118.70 116.78 1yvk s GLU 9 Ca 0.11 -0.74 -0.15 0.00 -0.15 0.00 0.00 54.97 54.04 1yvk s GLU 9 Cb -0.12 0.34 0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1yvk s GLU 9 CO 0.02 -0.26 0.70 -0.11 0.95 0.00 0.00 175.26 176.56 1yvk n LEU 10 N 0.29 1.73 -4.03 1.83 7.94 -1.26 -0.64 117.00 122.85 1yvk n LEU 10 Ca -0.17 0.55 -0.13 0.00 -1.11 0.00 0.00 56.01 55.14 1yvk n LEU 10 Cb 0.61 -1.30 -0.12 0.00 0.53 0.00 0.00 43.42 43.14 1yvk n LEU 10 CO 0.22 -2.78 -0.40 -0.83 -1.11 0.00 0.00 177.39 172.49 1yvk s GLY 11 N -1.74 0.43 0.00 -3.96 0.00 -0.34 -4.61 107.32 97.11 1yvk s GLY 11 Ca 0.66 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1yvk s GLY 11 CO 0.57 -0.66 0.00 -1.84 0.00 0.00 0.00 173.10 171.18 1yvk n GLU 12 N 1.83 2.91 -3.91 2.90 -0.00 -1.26 -4.51 120.64 118.59 1yvk n GLU 12 Ca -0.20 0.00 -0.35 0.00 -0.00 0.00 0.00 57.16 56.60 1yvk n GLU 12 Cb 0.56 -0.24 -0.14 0.00 -0.00 0.00 0.00 31.44 31.61 1yvk n GLU 12 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1yvk s GLU 13 N 0.00 2.97 -0.15 3.44 0.41 -1.26 -5.10 118.70 119.01 1yvk s GLU 13 Ca 0.00 -0.90 -0.14 0.00 -0.41 0.00 0.00 54.97 53.52 1yvk s GLU 13 Cb 0.00 -3.07 -0.05 0.00 -1.78 0.00 0.00 34.13 29.23 1yvk s GLU 13 CO 0.00 -0.38 0.31 0.95 -0.49 0.00 0.00 175.26 175.65 1yvk s THR 14 N 1.39 5.29 0.18 3.63 -4.23 -1.26 -5.02 115.64 115.62 1yvk s THR 14 Ca 0.02 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1yvk s THR 14 Cb -0.16 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 1yvk s THR 14 CO -0.03 0.39 0.03 0.54 -0.54 0.00 0.00 174.62 175.01 1yvk s ASN 15 N 0.42 1.06 0.31 3.99 2.20 -1.26 -5.01 114.94 116.65 1yvk s ASN 15 Ca 0.17 -1.22 0.08 0.00 -0.94 0.00 0.00 52.86 50.96 1yvk s ASN 15 Cb -0.13 0.16 0.88 0.00 -2.00 0.00 0.00 41.25 40.16 1yvk s ASN 15 CO 0.05 -0.63 1.69 0.44 -2.94 0.00 0.00 177.10 175.71 1yvk h ASP 16 N 2.66 0.44 -0.44 3.54 3.32 -1.98 0.23 116.42 124.19 1yvk h ASP 16 Ca -0.37 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1yvk h ASP 16 Cb 1.21 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 1yvk h ASP 16 CO 0.62 -0.03 0.24 -0.08 -1.72 0.00 0.00 179.24 178.26 1yvk h GLU 17 N 0.41 0.64 0.14 3.56 4.81 -2.00 -1.93 114.58 120.20 1yvk h GLU 17 Ca 0.64 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 59.60 1yvk h GLU 17 Cb 1.30 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 30.57 1yvk h GLU 17 CO -0.55 0.49 -0.86 1.25 -0.73 0.00 0.00 179.01 178.61 1yvk h LEU 18 N 0.65 0.51 -2.00 1.64 6.46 -1.01 -3.26 115.31 118.30 1yvk h LEU 18 Ca 0.17 -0.93 0.06 0.00 -0.12 0.00 0.00 57.88 57.05 1yvk h LEU 18 Cb 0.05 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1yvk h LEU 18 CO -0.02 1.41 0.16 1.88 -0.62 0.00 0.00 178.44 181.24 1yvk h TYR 19 N -0.30 0.00 -0.94 1.25 -1.99 -1.04 -1.14 116.97 112.81 1yvk h TYR 19 Ca -0.15 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.63 1yvk h TYR 19 Cb 1.66 -0.00 -0.06 0.00 2.00 0.00 0.00 36.73 40.33 1yvk h TYR 19 CO 0.19 0.00 0.60 -0.44 -0.00 0.00 0.00 178.16 178.51 1yvk h ASP 20 N 0.00 0.99 0.08 3.88 3.45 -1.39 0.84 116.42 124.27 1yvk h ASP 20 Ca 0.11 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.56 1yvk h ASP 20 Cb 0.42 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1yvk h ASP 20 CO -0.00 0.66 -0.04 -0.07 -1.57 0.00 0.00 179.24 178.22 1yvk h LEU 21 N 1.14 -0.10 -1.72 1.55 4.07 -1.35 -3.01 115.31 115.90 1yvk h LEU 21 Ca 0.39 -0.50 0.13 0.00 0.08 0.00 0.00 57.88 57.97 1yvk h LEU 21 Cb 0.07 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 1yvk h LEU 21 CO -0.14 0.52 0.42 -0.07 -1.08 0.00 0.00 178.44 178.09 1yvk h LEU 22 N -0.79 0.27 -0.03 1.67 3.38 -1.29 0.21 115.31 118.74 1yvk h LEU 22 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yvk h LEU 22 Cb 0.59 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1yvk h LEU 22 CO 0.02 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.88 1yvk n LEU 23 N -4.45 0.51 -0.07 1.67 4.32 0.27 -2.10 117.00 117.15 1yvk n LEU 23 Ca 0.11 0.55 -0.08 0.00 -0.02 0.00 0.00 56.01 56.57 1yvk n LEU 23 Cb 0.48 -0.40 0.08 0.00 -1.62 0.00 0.00 43.42 41.96 1yvk n LEU 23 CO 0.34 -0.14 0.65 -0.07 -1.22 0.00 0.00 177.39 176.96 1yvk h LEU 24 N 0.00 0.77 0.00 2.23 3.38 -0.42 -3.30 115.31 117.97 1yvk h LEU 24 Ca 0.00 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1yvk h LEU 24 Cb 0.63 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1yvk h LEU 24 CO 0.00 1.01 -0.28 0.00 0.09 0.00 0.00 178.44 179.26 1yvk h ALA 25 N 1.04 0.00 -2.90 1.53 0.00 -1.56 -3.44 119.26 113.92 1yvk h ALA 25 Ca 0.08 -0.29 -0.71 0.00 0.00 0.00 0.00 54.91 53.99 1yvk h ALA 25 Cb 0.81 0.28 -0.28 0.00 0.00 0.00 0.00 17.79 18.60 1yvk h ALA 25 CO 0.07 0.28 -0.51 0.34 0.00 0.00 0.00 179.25 179.42 1yvk s ASP 26 N -5.67 5.54 0.18 0.00 -1.08 -0.89 -4.98 116.67 109.77 1yvk s ASP 26 Ca -0.08 -1.39 -0.13 0.00 -0.52 0.00 0.00 52.55 50.42 1yvk s ASP 26 Cb 0.01 -1.95 0.12 0.00 -1.46 0.00 0.00 42.92 39.64 1yvk s ASP 26 CO 0.13 -0.47 1.80 -0.65 0.52 0.00 0.00 175.17 176.50 1yvk h PRO 27 N 8.34 0.52 -5.70 4.34 0.11 -1.84 -3.37 132.00 134.40 1yvk h PRO 27 Ca -0.23 -0.03 -0.48 0.00 0.11 0.00 0.00 66.00 65.37 1yvk h PRO 27 Cb 1.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1yvk h PRO 27 CO 0.70 0.34 1.59 0.45 -0.21 0.00 0.00 178.00 180.88 1yvk s SER 28 N -5.53 4.64 0.44 -2.05 0.15 -1.26 -4.83 113.70 105.26 1yvk s SER 28 Ca -0.13 1.11 0.12 0.00 0.70 0.00 0.00 55.95 57.75 1yvk s SER 28 Cb 0.13 -2.50 0.98 0.00 -1.71 0.00 0.00 66.02 62.92 1yvk s SER 28 CO 0.74 -2.72 2.02 0.50 1.20 0.00 0.00 173.24 174.97 1yvk h LYS 29 N 18.61 0.15 0.84 5.44 3.64 -1.99 -2.45 116.57 140.81 1yvk h LYS 29 Ca -0.26 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.06 1yvk h LYS 29 Cb 1.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1yvk h LYS 29 CO 1.14 0.22 -0.46 -0.44 -2.27 0.00 0.00 179.45 177.64 1yvk h ASP 30 N 0.15 -1.13 -0.82 4.20 3.32 -1.96 -1.81 116.42 118.37 1yvk h ASP 30 Ca 0.03 0.05 0.14 0.00 0.02 0.00 0.00 57.03 57.28 1yvk h ASP 30 Cb 0.20 0.31 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1yvk h ASP 30 CO 0.01 -0.74 0.54 0.40 -1.72 0.00 0.00 179.24 177.73 1yvk h ILE 31 N -1.20 0.83 0.21 0.35 2.04 -1.93 -1.63 117.51 116.19 1yvk h ILE 31 Ca -0.11 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1yvk h ILE 31 Cb 0.94 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1yvk h ILE 31 CO 0.15 0.11 -0.15 0.58 0.00 0.00 0.00 178.15 178.84 1yvk h VAL 32 N 0.58 0.68 -0.82 1.67 2.07 -1.10 -2.48 116.25 116.86 1yvk h VAL 32 Ca 0.40 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.03 1yvk h VAL 32 Cb 0.73 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 1yvk h VAL 32 CO -0.16 0.00 0.53 0.44 0.02 0.00 0.00 177.57 178.40 1yvk h ASP 33 N -0.36 0.66 0.32 0.57 3.32 -0.44 0.40 116.42 120.88 1yvk h ASP 33 Ca -0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1yvk h ASP 33 Cb 0.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1yvk h ASP 33 CO 0.00 0.38 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.52 1yvk h GLU 34 N 0.72 -0.59 0.00 3.56 4.22 -1.08 -2.24 114.58 119.17 1yvk h GLU 34 Ca 0.38 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.86 1yvk h GLU 34 Cb 0.50 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1yvk h GLU 34 CO -0.15 -0.39 0.00 0.10 -2.18 0.00 0.00 179.01 176.38 1yvk h TYR 35 N -0.61 0.00 -0.10 0.92 -0.00 -1.34 -2.30 116.97 113.54 1yvk h TYR 35 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.62 1yvk h TYR 35 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.25 1yvk h TYR 35 CO -0.16 0.00 -0.27 1.25 -0.00 0.00 0.00 178.16 178.98 1yvk h LEU 36 N 0.00 0.17 0.00 0.10 7.12 0.07 0.28 115.31 123.05 1yvk h LEU 36 Ca 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1yvk h LEU 36 Cb 0.63 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1yvk h LEU 36 CO 0.00 0.44 -0.38 -0.08 -0.13 0.00 0.00 178.44 178.29 1yvk h GLU 37 N 0.16 0.00 0.00 1.25 4.22 -1.15 -3.37 114.58 115.69 1yvk h GLU 37 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1yvk h GLU 37 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1yvk h GLU 37 CO 0.04 0.00 0.00 -0.09 -2.18 0.00 0.00 179.01 176.78 1yvk h ARG 38 N -0.98 0.00 -5.91 1.92 2.43 -1.49 -3.43 114.38 106.93 1yvk h ARG 38 Ca 0.00 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.60 1yvk h ARG 38 Cb 0.38 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 1yvk h ARG 38 CO 0.00 0.00 -0.41 0.20 -1.51 0.00 0.00 179.97 178.25 1yvk s GLY 39 N -3.83 2.37 -0.25 2.80 0.00 0.97 -4.75 107.32 104.63 1yvk s GLY 39 Ca -0.03 -1.66 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 1yvk s GLY 39 CO 0.32 -1.90 0.23 1.85 0.00 0.00 0.00 173.10 173.59 1yvk s GLU 40 N -4.07 4.04 -0.23 2.90 2.56 -0.18 -4.77 118.70 118.95 1yvk s GLU 40 Ca 0.37 -0.18 -0.07 0.00 0.00 0.00 0.00 54.97 55.09 1yvk s GLU 40 Cb 0.00 -3.59 -0.03 0.00 2.00 0.00 0.00 34.13 32.51 1yvk s GLU 40 CO 0.22 -0.07 0.05 0.00 -0.56 0.00 0.00 175.26 174.90 1yvk s TYR 42 N 1.26 2.89 -0.01 0.00 2.02 -0.17 -1.19 117.35 122.15 1yvk s TYR 42 Ca 0.04 -0.03 0.08 0.00 -0.37 0.00 0.00 57.07 56.79 1yvk s TYR 42 Cb -0.15 -1.62 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1yvk s TYR 42 CO 0.03 0.37 -0.25 0.95 -1.57 0.00 0.00 175.55 175.08 1yvk s THR 43 N -0.97 1.98 -0.17 -0.71 -4.23 0.19 -1.99 115.64 109.74 1yvk s THR 43 Ca 0.16 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1yvk s THR 43 Cb -0.11 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.07 1yvk s THR 43 CO 0.07 0.52 -0.11 0.00 -0.54 0.00 0.00 174.62 174.56 1yvk s ALA 44 N -0.62 2.65 0.03 3.99 0.00 -0.49 -0.62 121.76 126.70 1yvk s ALA 44 Ca 0.10 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.08 1yvk s ALA 44 Cb -0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1yvk s ALA 44 CO -0.00 -0.07 -0.13 -1.58 0.00 0.00 0.00 175.76 173.97 1yvk s TRP 45 N 0.88 2.69 -0.71 0.00 0.51 0.15 -1.16 118.94 121.30 1yvk s TRP 45 Ca -0.03 -0.17 0.04 0.00 -2.12 0.00 0.00 56.10 53.83 1yvk s TRP 45 Cb -0.15 -1.52 0.22 0.00 -0.81 0.00 0.00 33.47 31.21 1yvk s TRP 45 CO 0.00 0.30 0.72 0.00 -0.51 0.00 0.00 176.95 177.46 1yvk n ALA 46 N 1.53 3.91 0.00 0.98 0.00 -0.81 -0.44 120.51 125.68 1yvk n ALA 46 Ca -0.16 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 48.60 1yvk n ALA 46 Cb 0.52 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1yvk n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yvk n GLY 47 N 1.37 0.91 0.00 0.00 0.00 -1.26 -3.79 105.19 102.42 1yvk n GLY 47 Ca 0.26 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1yvk n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yvk n ASP 48 N 0.01 0.18 -4.82 1.61 8.00 -1.26 -5.03 116.55 115.24 1yvk n ASP 48 Ca 0.00 -0.52 -0.38 0.00 0.71 0.00 0.00 54.79 54.60 1yvk n ASP 48 Cb 0.00 0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 1yvk n ASP 48 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1yvk s GLU 49 N -0.54 4.09 -0.63 -1.24 2.12 -1.25 -5.01 118.70 116.24 1yvk s GLU 49 Ca 0.00 0.61 -0.27 0.00 0.36 0.00 0.00 54.97 55.66 1yvk s GLU 49 Cb 0.00 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 31.23 1yvk s GLU 49 CO 0.00 0.62 1.41 -1.17 -0.54 0.00 0.00 175.26 175.58 1yvk s LEU 50 N -1.27 3.31 -0.00 2.70 2.96 -1.26 -1.93 118.68 123.18 1yvk s LEU 50 Ca 0.29 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 54.18 1yvk s LEU 50 Cb -0.18 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 1yvk s LEU 50 CO 0.18 -1.82 0.63 0.00 -1.32 0.00 0.00 176.35 174.02 1yvk h ALA 51 N 11.07 -0.61 -2.57 5.97 0.00 -1.47 -3.44 119.26 128.21 1yvk h ALA 51 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1yvk h ALA 51 Cb 1.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1yvk h ALA 51 CO 1.22 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1yvk n GLY 52 N 0.19 3.17 3.44 0.00 0.00 -0.84 -1.10 105.19 110.06 1yvk n GLY 52 Ca -0.02 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 1yvk n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yvk s VAL 53 N -2.42 0.00 -0.17 1.61 0.11 -0.29 -1.40 120.40 117.83 1yvk s VAL 53 Ca 0.00 -0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 58.70 1yvk s VAL 53 Cb 0.00 -1.06 0.08 0.00 -1.53 0.00 0.00 36.38 33.87 1yvk s VAL 53 CO 0.00 -0.01 0.77 -0.72 -3.33 0.00 0.00 175.10 171.81 1yvk s TYR 54 N -3.76 -0.66 -0.07 1.54 -0.85 -0.84 -0.98 117.35 111.73 1yvk s TYR 54 Ca 0.02 1.39 0.04 0.00 -0.52 0.00 0.00 57.07 57.99 1yvk s TYR 54 Cb -0.01 0.36 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 1yvk s TYR 54 CO -0.12 -0.45 -0.18 0.08 -1.52 0.00 0.00 175.55 173.36 1yvk s VAL 55 N -0.42 2.69 -0.33 -3.49 1.01 -0.07 -1.00 120.40 118.78 1yvk s VAL 55 Ca -0.04 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 1yvk s VAL 55 Cb -0.03 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1yvk s VAL 55 CO 0.04 0.57 0.11 -0.76 0.00 0.00 0.00 175.10 175.05 1yvk s LEU 56 N -0.28 4.23 -0.01 3.92 1.43 0.13 -2.62 118.68 125.48 1yvk s LEU 56 Ca 0.01 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1yvk s LEU 56 Cb -0.13 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1yvk s LEU 56 CO 0.03 -0.30 0.02 -0.22 0.23 0.00 0.00 176.35 176.11 1yvk s LEU 57 N 1.44 3.59 -0.24 1.79 2.96 -0.09 -1.02 118.68 127.12 1yvk s LEU 57 Ca -0.00 0.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.78 1yvk s LEU 57 Cb -0.19 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1yvk s LEU 57 CO 0.03 0.29 0.40 -0.54 -1.32 0.00 0.00 176.35 175.21 1yvk s LYS 58 N -1.54 4.10 0.00 1.98 1.02 -1.26 -0.63 119.74 123.41 1yvk s LYS 58 Ca 0.20 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1yvk s LYS 58 Cb -0.12 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.59 1yvk s LYS 58 CO 0.10 -0.18 0.00 0.25 -0.92 0.00 0.00 175.35 174.61 1yvk n THR 59 N 4.76 0.00 -1.02 2.17 -2.24 -0.59 -4.95 114.28 112.41 1yvk n THR 59 Ca -0.08 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 1yvk n THR 59 Cb 0.51 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.91 1yvk n THR 59 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1yvk s ARG 60 N 1.64 0.69 0.32 -0.78 0.52 -1.24 -4.85 118.95 115.24 1yvk s ARG 60 Ca 0.00 0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 55.78 1yvk s ARG 60 Cb 0.00 -1.74 -0.12 0.00 0.52 0.00 0.00 34.95 33.61 1yvk s ARG 60 CO 0.00 -2.64 1.32 -2.30 0.02 0.00 0.00 175.30 171.70 1yvk n PRO 61 N -4.17 2.12 -0.84 3.54 -0.02 -1.26 -0.84 135.00 133.54 1yvk n PRO 61 Ca 0.06 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1yvk n PRO 61 Cb 0.55 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1yvk n PRO 61 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1yvk n GLN 62 N 0.90 -1.70 -5.17 -0.52 1.13 -1.26 -4.92 117.38 105.84 1yvk n GLN 62 Ca 0.06 0.38 -0.32 0.00 -1.94 0.00 0.00 57.00 55.19 1yvk n GLN 62 Cb 0.35 -4.67 -0.16 0.00 0.11 0.00 0.00 30.24 25.87 1yvk n GLN 62 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1yvk s THR 63 N -0.90 2.21 0.06 5.09 2.01 -0.02 0.30 115.64 124.38 1yvk s THR 63 Ca 0.00 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 61.08 1yvk s THR 63 Cb 0.00 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1yvk s THR 63 CO 0.00 0.56 -0.19 0.54 -0.69 0.00 0.00 174.62 174.84 1yvk s VAL 64 N 0.13 1.50 0.06 3.82 0.11 -0.55 -1.55 120.40 123.93 1yvk s VAL 64 Ca -0.12 -1.25 0.05 0.00 -2.93 0.00 0.00 61.98 57.74 1yvk s VAL 64 Cb -0.16 -1.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 1yvk s VAL 64 CO 0.07 0.05 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.04 1yvk s GLU 65 N -1.40 0.91 -1.07 1.54 2.12 0.20 -0.53 118.70 120.47 1yvk s GLU 65 Ca 0.05 -0.90 -0.16 0.00 0.36 0.00 0.00 54.97 54.32 1yvk s GLU 65 Cb -0.09 -0.95 0.15 0.00 0.26 0.00 0.00 34.13 33.50 1yvk s GLU 65 CO 0.02 0.22 1.28 0.42 -0.54 0.00 0.00 175.26 176.66 1yvk s ILE 66 N -1.08 4.88 -0.77 -3.70 1.01 -0.55 -0.91 121.20 120.08 1yvk s ILE 66 Ca 0.01 -2.10 0.12 0.00 0.00 0.00 0.00 60.65 58.67 1yvk s ILE 66 Cb -0.09 -4.84 0.11 0.00 0.01 0.00 0.00 42.46 37.65 1yvk s ILE 66 CO 0.02 -1.56 1.36 1.33 0.00 0.00 0.00 174.94 176.09 1yvk n VAL 67 N 5.06 1.36 -3.64 2.92 0.24 -1.08 -4.72 118.33 118.47 1yvk n VAL 67 Ca 0.30 0.43 -0.07 0.00 -2.04 0.00 0.00 64.34 62.96 1yvk n VAL 67 Cb 0.46 -1.35 -0.07 0.00 -1.47 0.00 0.00 33.84 31.41 1yvk n VAL 67 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1yvk s ASN 68 N -3.38 -0.46 -0.19 -1.34 2.47 -1.25 -4.98 114.94 105.81 1yvk s ASN 68 Ca 0.02 0.85 -0.15 0.00 0.42 0.00 0.00 52.86 54.00 1yvk s ASN 68 Cb 0.05 0.95 0.05 0.00 -1.45 0.00 0.00 41.25 40.85 1yvk s ASN 68 CO 0.17 -0.14 0.48 -0.51 -3.72 0.00 0.00 177.10 173.38 1yvk s ILE 69 N 0.52 -0.01 0.14 -5.21 2.07 -1.26 -0.89 121.20 116.55 1yvk s ILE 69 Ca 0.00 0.02 -0.22 0.00 -1.41 0.00 0.00 60.65 59.05 1yvk s ILE 69 Cb -0.05 -0.68 0.06 0.00 0.13 0.00 0.00 42.46 41.92 1yvk s ILE 69 CO -0.09 0.01 0.56 0.00 -1.91 0.00 0.00 174.94 173.51 1yvk s ALA 70 N 0.64 -1.45 -0.01 1.50 0.00 -0.15 -4.76 121.76 117.53 1yvk s ALA 70 Ca -0.03 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.34 1yvk s ALA 70 Cb -0.05 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1yvk s ALA 70 CO -0.04 -0.71 0.02 0.08 0.00 0.00 0.00 175.76 175.11 1yvk s VAL 71 N -3.56 -0.02 -0.05 0.00 1.01 -1.26 -1.14 120.40 115.37 1yvk s VAL 71 Ca 0.00 0.09 -0.38 0.00 0.00 0.00 0.00 61.98 61.69 1yvk s VAL 71 Cb -0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 36.38 36.16 1yvk s VAL 71 CO -0.11 0.04 1.50 1.17 0.00 0.00 0.00 175.10 177.70 1yvk n LYS 72 N 3.52 1.16 -0.27 2.72 4.81 -0.26 -4.59 118.16 125.26 1yvk n LYS 72 Ca -0.18 0.42 0.08 0.00 -0.87 0.00 0.00 58.31 57.76 1yvk n LYS 72 Cb 0.56 -2.08 0.22 0.00 0.02 0.00 0.00 35.03 33.74 1yvk n LYS 72 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1yvk h GLU 73 N 5.62 0.22 0.00 1.64 5.08 -1.95 0.51 114.58 125.70 1yvk h GLU 73 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1yvk h GLU 73 Cb 1.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1yvk h GLU 73 CO 0.85 0.15 0.00 -1.13 -1.00 0.00 0.00 179.01 177.87 1yvk n SER 74 N -5.21 0.00 0.00 1.42 3.41 -1.26 -2.62 113.62 109.36 1yvk n SER 74 Ca 0.17 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1yvk n SER 74 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1yvk n SER 74 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yvk n LEU 75 N -0.70 0.06 -4.87 1.04 4.77 0.15 -5.08 117.00 112.37 1yvk n LEU 75 Ca 0.05 -0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 1yvk n LEU 75 Cb 0.02 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1yvk n LEU 75 CO 0.04 0.01 0.76 0.00 -1.33 0.00 0.00 177.39 176.87 1yvk s GLN 76 N -0.08 2.04 -0.02 3.23 -2.07 0.31 -3.74 119.66 119.34 1yvk s GLN 76 Ca 0.00 0.27 0.00 0.00 -1.82 0.00 0.00 55.36 53.81 1yvk s GLN 76 Cb 0.00 -1.95 0.00 0.00 -1.09 0.00 0.00 33.01 29.97 1yvk s GLN 76 CO 0.00 -1.57 0.00 1.63 -1.32 0.00 0.00 175.29 174.03 1yvk n LYS 77 N -3.33 -0.27 -0.02 9.60 4.76 -1.26 -4.85 118.16 122.79 1yvk n LYS 77 Ca 0.07 0.10 0.08 0.00 -2.87 0.00 0.00 58.31 55.69 1yvk n LYS 77 Cb 0.59 -3.33 0.07 0.00 -1.84 0.00 0.00 35.03 30.53 1yvk n LYS 77 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1yvk n LYS 78 N -2.48 1.25 0.00 1.97 5.02 -1.25 -4.96 118.16 117.72 1yvk n LYS 78 Ca -0.00 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.81 1yvk n LYS 78 Cb 0.07 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1yvk n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yvk n GLY 79 N 0.87 0.73 0.16 0.72 0.00 -1.26 -4.96 105.19 101.46 1yvk n GLY 79 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1yvk n GLY 79 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1yvk h PHE 80 N 0.00 0.00 0.58 1.61 0.04 -1.93 -3.09 116.94 114.14 1yvk h PHE 80 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1yvk h PHE 80 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1yvk h PHE 80 CO 0.00 0.49 -0.44 0.78 -0.60 0.00 0.00 178.31 178.54 1yvk h GLY 81 N 2.07 -1.14 0.35 -1.45 0.00 -1.93 -1.82 103.07 99.16 1yvk h GLY 81 Ca -0.00 0.50 0.13 0.00 0.00 0.00 0.00 47.33 47.95 1yvk h GLY 81 CO 0.06 -0.38 0.46 1.70 0.00 0.00 0.00 176.54 178.39 1yvk h LYS 82 N -0.99 0.68 -0.77 4.80 3.64 -1.97 -1.83 116.57 120.14 1yvk h LYS 82 Ca -0.07 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1yvk h LYS 82 Cb 0.83 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 1yvk h LYS 82 CO 0.01 0.45 0.48 1.96 -2.27 0.00 0.00 179.45 180.09 1yvk h GLN 83 N 0.71 0.90 -0.09 1.90 4.20 -1.39 -0.45 115.11 120.88 1yvk h GLN 83 Ca 0.44 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 1yvk h GLN 83 Cb 0.54 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1yvk h GLN 83 CO -0.31 0.60 0.02 -0.07 -0.67 0.00 0.00 178.83 178.40 1yvk h LEU 84 N 0.93 0.14 -0.01 1.46 3.38 -0.53 -0.10 115.31 120.59 1yvk h LEU 84 Ca 0.31 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1yvk h LEU 84 Cb 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1yvk h LEU 84 CO -0.12 0.33 -0.15 0.58 0.09 0.00 0.00 178.44 179.17 1yvk h VAL 85 N -0.05 0.64 0.00 1.22 2.07 -1.07 0.58 116.25 119.64 1yvk h VAL 85 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1yvk h VAL 85 Cb 0.24 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1yvk h VAL 85 CO -0.00 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.46 1yvk h LEU 86 N -0.24 0.00 0.08 2.57 3.38 -1.05 -1.56 115.31 118.48 1yvk h LEU 86 Ca 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 1yvk h LEU 86 Cb 0.31 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.08 1yvk h LEU 86 CO -0.15 0.06 -0.84 -0.78 0.09 0.00 0.00 178.44 176.83 1yvk h ASP 87 N 0.00 0.60 0.01 -0.43 3.58 0.47 -3.10 116.42 117.56 1yvk h ASP 87 Ca -0.00 -0.84 -0.01 0.00 0.42 0.00 0.00 57.03 56.60 1yvk h ASP 87 Cb 0.14 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 1yvk h ASP 87 CO 0.01 1.38 -0.02 0.00 -2.88 0.00 0.00 179.24 177.73 1yvk h ALA 88 N 0.23 1.92 -0.08 -0.78 0.00 0.75 0.25 119.26 121.55 1yvk h ALA 88 Ca -0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1yvk h ALA 88 Cb 1.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1yvk h ALA 88 CO 0.16 0.07 -0.41 0.82 0.00 0.00 0.00 179.25 179.89 1yvk h ILE 89 N 0.03 1.31 0.06 0.00 2.04 -1.29 -1.34 117.51 118.32 1yvk h ILE 89 Ca 0.01 -1.49 -0.28 0.00 1.00 0.00 0.00 64.86 64.11 1yvk h ILE 89 Cb 0.07 1.70 0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1yvk h ILE 89 CO 0.00 0.44 -1.13 -0.33 0.00 0.00 0.00 178.15 177.14 1yvk h GLU 90 N 0.14 0.61 -0.54 2.37 4.39 -0.92 -1.78 114.58 118.85 1yvk h GLU 90 Ca 0.01 -0.73 -0.05 0.00 0.34 0.00 0.00 59.36 58.93 1yvk h GLU 90 Cb 0.79 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 1yvk h GLU 90 CO 0.06 1.31 0.14 0.87 -1.16 0.00 0.00 179.01 180.23 1yvk h LYS 91 N 0.31 0.82 -0.12 2.33 1.79 -1.13 -2.11 116.57 118.45 1yvk h LYS 91 Ca -0.15 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 58.07 1yvk h LYS 91 Cb 1.79 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 32.30 1yvk h LYS 91 CO 0.21 0.73 -0.35 0.00 -1.08 0.00 0.00 179.45 178.96 1yvk h ALA 92 N 1.36 1.20 0.29 3.86 0.00 -1.15 -2.19 119.26 122.63 1yvk h ALA 92 Ca 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1yvk h ALA 92 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yvk h ALA 92 CO -0.00 0.54 -0.14 0.87 0.00 0.00 0.00 179.25 180.52 1yvk h LYS 93 N 0.20 -0.37 0.00 0.00 1.57 -0.68 -2.70 116.57 114.59 1yvk h LYS 93 Ca 0.02 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1yvk h LYS 93 Cb 0.72 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1yvk h LYS 93 CO 0.05 -0.04 0.00 0.87 -0.57 0.00 0.00 179.45 179.76 1yvk h LYS 94 N -0.76 0.00 -0.02 3.15 1.57 -1.35 0.46 116.57 119.63 1yvk h LYS 94 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1yvk h LYS 94 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1yvk h LYS 94 CO 0.06 0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 178.83 1yvk n LEU 95 N -2.30 0.67 -0.00 2.94 7.94 -0.83 -4.89 117.00 120.51 1yvk n LEU 95 Ca -0.01 -0.23 -0.00 0.00 -1.11 0.00 0.00 56.01 54.65 1yvk n LEU 95 Cb 0.04 -0.01 -0.00 0.00 0.53 0.00 0.00 43.42 43.99 1yvk n LEU 95 CO 0.10 0.12 -0.00 0.61 -1.11 0.00 0.00 177.39 177.11 1yvk n GLY 96 N 1.06 0.30 3.76 -3.96 0.00 0.16 -5.00 105.19 101.51 1yvk n GLY 96 Ca 0.21 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1yvk n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yvk s ALA 97 N -1.59 2.58 -0.15 4.61 0.00 -1.14 -4.97 121.76 121.11 1yvk s ALA 97 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1yvk s ALA 97 Cb 0.00 -3.40 -0.23 0.00 0.00 0.00 0.00 23.12 19.48 1yvk s ALA 97 CO 0.00 -1.04 0.24 -0.25 0.00 0.00 0.00 175.76 174.71 1yvk n ASP 98 N -1.59 1.76 -3.97 0.00 10.43 0.15 -4.75 116.55 118.57 1yvk n ASP 98 Ca 0.12 0.14 -0.16 0.00 2.57 0.00 0.00 54.79 57.46 1yvk n ASP 98 Cb 0.50 -0.50 -0.14 0.00 1.84 0.00 0.00 41.12 42.82 1yvk n ASP 98 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1yvk s THR 99 N -2.55 0.47 -0.05 -3.53 2.01 -1.10 -0.06 115.64 110.83 1yvk s THR 99 Ca -0.22 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.57 1yvk s THR 99 Cb 0.07 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 1yvk s THR 99 CO 0.74 0.13 -0.19 -0.51 -0.69 0.00 0.00 174.62 174.10 1yvk s ILE 100 N -0.15 2.62 0.43 1.82 2.07 -0.52 -1.48 121.20 125.99 1yvk s ILE 100 Ca 0.02 -0.88 0.04 0.00 -1.41 0.00 0.00 60.65 58.42 1yvk s ILE 100 Cb -0.02 -1.99 -0.05 0.00 0.13 0.00 0.00 42.46 40.53 1yvk s ILE 100 CO -0.00 0.58 0.03 -1.61 -1.91 0.00 0.00 174.94 172.03 1yvk s GLU 101 N -0.55 1.98 0.00 3.50 2.02 0.31 -0.92 118.70 125.03 1yvk s GLU 101 Ca 0.08 -2.18 0.00 0.00 0.02 0.00 0.00 54.97 52.89 1yvk s GLU 101 Cb -0.11 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.81 1yvk s GLU 101 CO 0.01 -0.24 0.00 1.51 0.02 0.00 0.00 175.26 176.56 1yvk n ILE 102 N -1.00 0.00 -3.86 -1.63 3.06 -0.98 -1.48 119.36 113.48 1yvk n ILE 102 Ca -0.09 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.04 1yvk n ILE 102 Cb 0.67 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.75 1yvk n ILE 102 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1yvk s GLY 103 N 0.00 0.02 0.32 4.50 0.00 -1.26 -1.33 107.32 109.57 1yvk s GLY 103 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 44.72 44.72 1yvk s GLY 103 CO 0.00 -0.20 0.27 -0.51 0.00 0.00 0.00 173.10 172.66 1yvk s THR 104 N -1.32 0.00 0.43 0.90 -4.23 -0.94 -4.92 115.64 105.56 1yvk s THR 104 Ca -0.14 -1.98 -0.24 0.00 -1.18 0.00 0.00 61.69 58.15 1yvk s THR 104 Cb -0.07 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 71.18 1yvk s THR 104 CO 0.02 0.00 1.15 -0.83 -0.54 0.00 0.00 174.62 174.42 1yvk s GLY 105 N -3.35 2.81 0.64 3.99 0.00 -1.26 -0.29 107.32 109.86 1yvk s GLY 105 Ca 0.40 0.92 0.29 0.00 0.00 0.00 0.00 44.72 46.33 1yvk s GLY 105 CO 0.26 1.40 1.91 3.45 0.00 0.00 0.00 173.10 180.11 1yvk h ASN 106 N 2.34 0.00 1.53 1.64 -1.07 -1.55 0.21 115.58 118.68 1yvk h ASN 106 Ca -0.49 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 55.80 1yvk h ASN 106 Cb 1.24 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.48 1yvk h ASN 106 CO 0.61 0.00 -0.40 0.77 0.07 0.00 0.00 177.43 178.48 1yvk h SER 107 N 0.00 0.00 0.00 6.14 4.64 -1.88 -3.39 113.55 119.06 1yvk h SER 107 Ca 0.06 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.75 1yvk h SER 107 Cb 0.82 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.96 1yvk h SER 107 CO -0.00 0.40 2.26 -1.20 -0.87 0.00 0.00 176.83 177.42 1yvk n SER 108 N -3.22 2.55 -0.20 4.97 7.64 0.75 -4.69 113.62 121.43 1yvk n SER 108 Ca 0.02 -2.65 -0.02 0.00 1.01 0.00 0.00 58.87 57.24 1yvk n SER 108 Cb 0.68 -1.07 0.08 0.00 -1.01 0.00 0.00 64.21 62.89 1yvk n SER 108 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1yvk h ILE 109 N 4.44 0.89 -0.07 0.44 2.04 -1.83 -1.73 117.51 121.69 1yvk h ILE 109 Ca 0.42 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 66.13 1yvk h ILE 109 Cb 0.64 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1yvk h ILE 109 CO 1.93 0.09 -0.14 -0.74 0.00 0.00 0.00 178.15 179.29 1yvk h HIS 110 N 0.51 -0.37 -0.56 1.37 2.76 -1.98 -2.70 115.15 114.18 1yvk h HIS 110 Ca 0.27 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 1yvk h HIS 110 Cb 0.24 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 1yvk h HIS 110 CO -0.12 -0.21 0.26 1.96 -1.30 0.00 0.00 177.93 178.52 1yvk h GLN 111 N -0.21 0.81 -1.10 5.26 4.20 -1.90 -1.46 115.11 120.71 1yvk h GLN 111 Ca 0.07 -0.12 0.31 0.00 0.06 0.00 0.00 58.65 58.97 1yvk h GLN 111 Cb 0.31 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 1yvk h GLN 111 CO -0.19 0.67 0.77 -0.07 -0.67 0.00 0.00 178.83 179.34 1yvk h LEU 112 N 0.75 0.10 0.02 1.46 -0.00 -1.01 -0.63 115.31 116.00 1yvk h LEU 112 Ca 0.19 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1yvk h LEU 112 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1yvk h LEU 112 CO -0.02 0.02 -0.01 -1.28 -0.00 0.00 0.00 178.44 177.14 1yvk h SER 113 N 0.08 -0.03 -0.23 -0.43 0.87 -1.05 -3.25 113.55 109.51 1yvk h SER 113 Ca 0.54 -0.38 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1yvk h SER 113 Cb 2.00 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 63.90 1yvk h SER 113 CO -0.07 0.65 -0.48 0.25 -0.53 0.00 0.00 176.83 176.65 1yvk h LEU 114 N -0.99 -1.57 -0.77 2.23 5.85 -0.23 -0.05 115.31 119.78 1yvk h LEU 114 Ca -0.00 0.20 0.10 0.00 0.84 0.00 0.00 57.88 59.02 1yvk h LEU 114 Cb 0.41 0.63 -0.08 0.00 0.37 0.00 0.00 40.66 41.99 1yvk h LEU 114 CO 0.01 -0.39 0.40 1.88 -0.34 0.00 0.00 178.44 179.99 1yvk h TYR 115 N -0.43 0.71 -0.57 1.25 0.05 -1.37 0.17 116.97 116.77 1yvk h TYR 115 Ca 0.04 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 1yvk h TYR 115 Cb 0.56 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 1yvk h TYR 115 CO -0.64 0.25 0.19 1.96 -1.05 0.00 0.00 178.16 178.87 1yvk h GLN 116 N 0.65 0.85 0.00 4.88 4.20 -1.44 0.93 115.11 125.17 1yvk h GLN 116 Ca 0.38 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1yvk h GLN 116 Cb 0.42 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1yvk h GLN 116 CO -0.28 0.73 -0.02 0.87 -0.67 0.00 0.00 178.83 179.45 1yvk h LYS 117 N 0.83 0.00 -0.65 1.46 1.57 0.93 0.24 116.57 120.95 1yvk h LYS 117 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1yvk h LYS 117 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1yvk h LYS 117 CO -0.01 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 1yvk n GLY 119 N 1.08 2.23 3.76 0.00 0.00 0.07 -4.98 105.19 107.36 1yvk n GLY 119 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1yvk n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yvk s PHE 120 N -2.52 2.64 0.05 1.61 0.40 -0.70 -4.82 117.98 114.64 1yvk s PHE 120 Ca 0.00 1.42 0.08 0.00 -0.60 0.00 0.00 56.93 57.83 1yvk s PHE 120 Cb 0.00 -3.66 -0.03 0.00 0.51 0.00 0.00 43.02 39.84 1yvk s PHE 120 CO 0.00 -2.27 -0.22 1.03 0.70 0.00 0.00 175.22 174.46 1yvk s ARG 121 N -2.58 1.45 0.05 0.44 0.52 -0.31 -4.06 118.95 114.46 1yvk s ARG 121 Ca 0.63 -1.00 -0.31 0.00 -0.52 0.00 0.00 55.73 54.54 1yvk s ARG 121 Cb -0.37 -1.60 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 1yvk s ARG 121 CO 0.46 0.41 1.21 0.42 0.02 0.00 0.00 175.30 177.82 1yvk s ILE 122 N -0.84 4.02 -0.01 1.52 1.01 -1.26 -0.95 121.20 124.68 1yvk s ILE 122 Ca 0.08 1.44 -0.01 0.00 0.00 0.00 0.00 60.65 62.16 1yvk s ILE 122 Cb -0.09 -3.92 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 1yvk s ILE 122 CO 0.02 0.09 -0.02 1.67 0.00 0.00 0.00 174.94 176.71 1yvk n GLN 123 N 4.13 0.03 -4.02 2.79 -0.06 0.23 -4.91 117.38 115.57 1yvk n GLN 123 Ca 0.09 0.19 -0.13 0.00 -2.00 0.00 0.00 57.00 55.15 1yvk n GLN 123 Cb 0.46 -0.73 -0.03 0.00 -4.06 0.00 0.00 30.24 25.88 1yvk n GLN 123 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yvk s ALA 124 N -2.98 0.34 -0.04 1.69 0.00 -1.17 -5.02 121.76 114.58 1yvk s ALA 124 Ca -0.01 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.74 1yvk s ALA 124 Cb 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 24.16 1yvk s ALA 124 CO 0.02 -0.84 -0.25 0.42 0.00 0.00 0.00 175.76 175.11 1yvk s ILE 125 N -3.06 2.03 -0.91 0.00 -1.09 -1.26 -1.13 121.20 115.79 1yvk s ILE 125 Ca 0.26 -1.08 -0.13 0.00 -2.23 0.00 0.00 60.65 57.48 1yvk s ILE 125 Cb -0.01 -1.70 0.23 0.00 -1.58 0.00 0.00 42.46 39.39 1yvk s ILE 125 CO 0.17 0.57 0.88 -0.62 -1.23 0.00 0.00 174.94 174.71 1yvk s ASP 126 N -0.38 6.89 0.48 3.58 -1.08 -1.26 -4.99 116.67 119.91 1yvk s ASP 126 Ca 0.03 -2.88 -0.23 0.00 -0.52 0.00 0.00 52.55 48.95 1yvk s ASP 126 Cb -0.12 -2.22 -0.08 0.00 -1.46 0.00 0.00 42.92 39.04 1yvk s ASP 126 CO 0.01 -0.53 1.20 1.41 0.52 0.00 0.00 175.17 177.78 1yvk n HIS 127 N 3.84 1.81 -0.76 -5.34 8.25 -1.26 -2.25 115.22 119.51 1yvk n HIS 127 Ca 0.17 0.48 0.00 0.00 -0.26 0.00 0.00 57.72 58.11 1yvk n HIS 127 Cb 0.45 -2.31 0.00 0.00 1.12 0.00 0.00 29.99 29.25 1yvk n HIS 127 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1yvk n ASP 128 N -0.18 -3.25 0.00 0.41 10.43 -1.08 -4.87 116.55 118.01 1yvk n ASP 128 Ca 0.09 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.45 1yvk n ASP 128 Cb 0.42 -2.99 0.00 0.00 1.84 0.00 0.00 41.12 40.39 1yvk n ASP 128 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 1yvk n PHE 129 N -1.94 0.00 0.17 1.24 -0.00 -0.95 0.41 117.46 116.38 1yvk n PHE 129 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.55 1yvk n PHE 129 Cb 0.27 -0.50 0.55 0.00 -0.00 0.00 0.00 39.48 39.80 1yvk n PHE 129 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 1yvk h PHE 130 N 0.00 0.00 0.05 -5.13 -1.00 -1.84 -0.99 116.94 108.03 1yvk h PHE 130 Ca 0.00 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.53 1yvk h PHE 130 Cb 0.00 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.57 1yvk h PHE 130 CO -0.80 0.00 -1.05 -0.07 -1.61 0.00 0.00 178.31 174.78 1yvk h LEU 131 N 0.00 0.53 0.00 1.54 3.38 -0.23 -2.88 115.31 117.65 1yvk h LEU 131 Ca 0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1yvk h LEU 131 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1yvk h LEU 131 CO 0.00 1.29 -1.48 -2.11 0.09 0.00 0.00 178.44 176.23 1yvk n ARG 132 N -3.69 0.51 -0.13 1.13 1.85 -0.50 -4.23 116.66 111.60 1yvk n ARG 132 Ca -0.08 -0.07 0.11 0.00 -1.00 0.00 0.00 57.85 56.82 1yvk n ARG 132 Cb 0.90 -1.60 0.17 0.00 -1.05 0.00 0.00 32.46 30.88 1yvk n ARG 132 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1yvk n HIS 133 N -2.23 0.35 -4.05 2.89 8.25 -0.50 -4.94 115.22 115.00 1yvk n HIS 133 Ca -0.01 -0.19 -0.10 0.00 -0.26 0.00 0.00 57.72 57.16 1yvk n HIS 133 Cb 0.52 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.52 1yvk n HIS 133 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1yvk s TYR 134 N -1.53 0.51 -0.12 4.41 1.51 -1.09 -5.01 117.35 116.04 1yvk s TYR 134 Ca 0.34 -0.68 -0.20 0.00 -1.01 0.00 0.00 57.07 55.52 1yvk s TYR 134 Cb 0.21 -0.33 -0.27 0.00 -0.11 0.00 0.00 41.96 41.46 1yvk s TYR 134 CO 0.29 -0.19 0.61 0.22 -1.11 0.00 0.00 175.55 175.37 1yvk h ASP 135 N 4.10 0.27 -2.58 2.29 3.58 -1.88 -3.44 116.42 118.76 1yvk h ASP 135 Ca -0.34 -0.85 -0.46 0.00 0.42 0.00 0.00 57.03 55.81 1yvk h ASP 135 Cb 1.19 -0.09 0.08 0.00 1.72 0.00 0.00 39.33 42.23 1yvk h ASP 135 CO 0.49 1.44 0.10 -1.61 -2.88 0.00 0.00 179.24 176.78 1yvk s GLU 136 N -2.40 1.91 -0.30 0.28 0.41 -1.26 -5.06 118.70 112.28 1yvk s GLU 136 Ca -0.20 -0.87 -0.17 0.00 -0.41 0.00 0.00 54.97 53.33 1yvk s GLU 136 Cb 0.03 -2.32 -0.02 0.00 -1.78 0.00 0.00 34.13 30.03 1yvk s GLU 136 CO 0.74 -1.29 0.46 -0.51 -0.49 0.00 0.00 175.26 174.18 1yvk s ASP 137 N -4.63 6.32 0.12 -0.19 1.11 -1.26 -4.97 116.67 113.16 1yvk s ASP 137 Ca 0.64 0.21 -0.24 0.00 0.18 0.00 0.00 52.55 53.33 1yvk s ASP 137 Cb -0.07 -2.25 -0.07 0.00 1.07 0.00 0.00 42.92 41.60 1yvk s ASP 137 CO 0.43 -0.33 0.75 -0.63 1.18 0.00 0.00 175.17 176.57 1yvk s ILE 138 N 2.26 4.52 0.03 0.77 1.09 -1.26 -5.03 121.20 123.57 1yvk s ILE 138 Ca 0.18 1.62 0.02 0.00 -1.10 0.00 0.00 60.65 61.37 1yvk s ILE 138 Cb -0.16 -4.10 -0.02 0.00 -1.06 0.00 0.00 42.46 37.12 1yvk s ILE 138 CO 0.11 0.48 -0.07 -0.36 -0.10 0.00 0.00 174.94 175.00 1yvk s PHE 139 N -0.82 0.60 -0.29 3.97 0.08 -1.26 -1.72 117.98 118.54 1yvk s PHE 139 Ca 0.36 -0.42 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 1yvk s PHE 139 Cb -0.22 -0.36 0.13 0.00 -0.57 0.00 0.00 43.02 41.99 1yvk s PHE 139 CO 0.24 -0.08 0.89 -2.00 -0.10 0.00 0.00 175.22 174.17 1yvk s GLU 140 N -1.28 0.48 -1.54 0.44 2.12 -0.53 -4.91 118.70 113.48 1yvk s GLU 140 Ca -0.08 0.84 -0.05 0.00 0.36 0.00 0.00 54.97 56.04 1yvk s GLU 140 Cb -0.08 0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.42 1yvk s GLU 140 CO 0.00 -0.10 0.67 0.09 -0.54 0.00 0.00 175.26 175.38 1yvk n ASN 141 N 3.93 -6.16 -1.41 -1.70 5.03 -1.26 -1.43 115.26 112.27 1yvk n ASN 141 Ca -0.19 -0.32 -0.15 0.00 0.87 0.00 0.00 54.58 54.80 1yvk n ASN 141 Cb 0.58 -4.96 -0.04 0.00 -1.02 0.00 0.00 39.78 34.34 1yvk n ASN 141 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1yvk n GLY 142 N -1.58 0.64 3.17 7.41 0.00 -1.26 -4.99 105.19 108.58 1yvk n GLY 142 Ca -0.10 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 1yvk n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yvk s ILE 143 N -2.64 1.34 -0.75 -0.61 1.01 -0.51 -5.08 121.20 113.95 1yvk s ILE 143 Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.50 1yvk s ILE 143 Cb 0.00 -1.16 0.06 0.00 0.01 0.00 0.00 42.46 41.38 1yvk s ILE 143 CO 0.00 0.22 1.13 -1.58 0.00 0.00 0.00 174.94 174.71 1yvk s GLN 144 N -0.81 3.25 -0.41 2.79 -0.44 -1.26 -1.45 119.66 121.32 1yvk s GLN 144 Ca 0.05 -0.81 -0.28 0.00 -2.50 0.00 0.00 55.36 51.83 1yvk s GLN 144 Cb -0.07 -4.42 -0.02 0.00 -1.64 0.00 0.00 33.01 26.85 1yvk s GLN 144 CO 0.01 -1.95 1.87 0.00 0.50 0.00 0.00 175.29 175.72 1yvk n ARG 146 N 8.67 0.00 0.00 0.00 1.85 -1.26 -4.34 116.66 121.58 1yvk n ARG 146 Ca 0.23 -0.28 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1yvk n ARG 146 Cb 0.49 -0.39 0.00 0.00 -1.05 0.00 0.00 32.46 31.50 1yvk n ARG 146 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1yvk n ASP 147 N 0.00 0.00 -3.54 2.89 10.43 -1.26 -2.59 116.55 122.47 1yvk n ASP 147 Ca 0.00 0.00 -0.04 0.00 2.57 0.00 0.00 54.79 57.32 1yvk n ASP 147 Cb 0.43 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.33 1yvk n ASP 147 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1yvk s VAL 149 N 2.72 -0.82 -0.23 2.53 1.01 0.60 -1.21 120.40 124.99 1yvk s VAL 149 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1yvk s VAL 149 Cb 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1yvk s VAL 149 CO 0.00 0.01 0.43 -0.60 0.00 0.00 0.00 175.10 174.94 1yvk s ARG 150 N 2.75 4.12 0.26 2.72 6.06 -0.28 -2.21 118.95 132.37 1yvk s ARG 150 Ca 0.02 0.21 0.12 0.00 -2.50 0.00 0.00 55.73 53.58 1yvk s ARG 150 Cb -0.13 -3.58 -0.05 0.00 0.06 0.00 0.00 34.95 31.25 1yvk s ARG 150 CO -0.17 -0.15 -0.19 -0.51 -2.50 0.00 0.00 175.30 171.78 1yvk s LEU 151 N 1.67 2.61 0.33 -0.88 1.02 -0.44 0.75 118.68 123.74 1yvk s LEU 151 Ca 0.19 -0.96 0.02 0.00 0.02 0.00 0.00 54.13 53.39 1yvk s LEU 151 Cb -0.15 -1.17 -0.01 0.00 0.02 0.00 0.00 46.19 44.88 1yvk s LEU 151 CO 0.09 0.05 0.38 -0.72 0.02 0.00 0.00 176.35 176.17 1yvk s TYR 152 N -2.32 1.36 -0.30 0.29 -0.85 -0.13 -2.31 117.35 113.09 1yvk s TYR 152 Ca 0.28 -1.45 -0.10 0.00 -0.52 0.00 0.00 57.07 55.28 1yvk s TYR 152 Cb -0.06 -0.36 0.18 0.00 0.38 0.00 0.00 41.96 42.10 1yvk s TYR 152 CO 0.14 -1.01 0.92 -1.17 -1.52 0.00 0.00 175.55 172.91 1yvk s LEU 153 N -3.29 -0.73 0.39 -3.49 2.96 -0.10 -1.16 118.68 113.26 1yvk s LEU 153 Ca 0.35 0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 54.54 1yvk s LEU 153 Cb 0.01 1.64 -0.09 0.00 0.50 0.00 0.00 46.19 48.25 1yvk s LEU 153 CO 0.23 -0.14 1.08 -1.81 -1.32 0.00 0.00 176.35 174.40 1yvk s ASP 154 N 2.86 6.75 -0.83 3.68 1.01 -1.26 -1.44 116.67 127.44 1yvk s ASP 154 Ca 0.04 2.14 0.01 0.00 0.71 0.00 0.00 52.55 55.46 1yvk s ASP 154 Cb -0.11 -2.60 0.24 0.00 1.01 0.00 0.00 42.92 41.46 1yvk s ASP 154 CO -0.15 -0.50 0.86 0.18 0.21 0.00 0.00 175.17 175.78 1yvk n LEU 155 N 0.12 4.32 0.00 1.23 4.77 0.91 -4.95 117.00 123.39 1yvk n LEU 155 Ca 0.04 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.77 1yvk n LEU 155 Cb 0.48 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1yvk n LEU 155 CO 0.47 1.76 0.00 -0.11 -1.33 0.00 0.00 177.39 178.18