#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq n VAL 4 N 0.00 -0.56 -2.38 -3.33 3.14 -1.26 -5.12 118.33 108.83 2waq n VAL 4 Ca 0.00 -2.85 -0.43 0.00 -2.96 0.00 0.00 64.34 58.10 2waq n VAL 4 Cb 0.00 -0.64 -0.02 0.00 -1.06 0.00 0.00 33.84 32.11 2waq n VAL 4 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2waq s TYR 5 N -0.15 2.46 -0.12 1.45 2.02 -1.26 -4.99 117.35 116.76 2waq s TYR 5 Ca 0.33 0.69 -0.29 0.00 -0.37 0.00 0.00 57.07 57.42 2waq s TYR 5 Cb 0.13 -4.30 -0.02 0.00 -0.40 0.00 0.00 41.96 37.37 2waq s TYR 5 CO -0.16 -1.89 1.16 0.42 -1.57 0.00 0.00 175.55 173.51 2waq s ILE 6 N 5.27 4.43 -0.05 2.71 1.09 -1.26 -4.90 121.20 128.48 2waq s ILE 6 Ca 0.60 1.73 0.09 0.00 -1.10 0.00 0.00 60.65 61.97 2waq s ILE 6 Cb -0.13 -4.11 -0.14 0.00 -1.06 0.00 0.00 42.46 37.02 2waq s ILE 6 CO 0.32 -0.07 0.13 0.55 -0.10 0.00 0.00 174.94 175.77 2waq n VAL 7 N 4.93 0.32 -4.32 2.92 3.14 -1.26 -5.03 118.33 119.03 2waq n VAL 7 Ca 0.12 -0.32 -0.19 0.00 -2.96 0.00 0.00 64.34 60.99 2waq n VAL 7 Cb 0.46 -0.23 -0.13 0.00 -1.06 0.00 0.00 33.84 32.88 2waq n VAL 7 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2waq s GLU 8 N -2.48 0.82 -0.03 1.45 0.41 -1.26 -5.14 118.70 112.47 2waq s GLU 8 Ca -0.04 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 2waq s GLU 8 Cb 0.05 -0.79 0.03 0.00 -1.78 0.00 0.00 34.13 31.64 2waq s GLU 8 CO 0.41 0.20 -0.00 -1.21 -0.49 0.00 0.00 175.26 174.17 2waq s GLU 9 N -0.91 0.34 0.07 1.61 2.02 -1.26 -5.16 118.70 115.41 2waq s GLU 9 Ca 0.01 0.06 -0.07 0.00 0.02 0.00 0.00 54.97 54.98 2waq s GLU 9 Cb -0.07 -0.50 -0.01 0.00 0.10 0.00 0.00 34.13 33.66 2waq s GLU 9 CO 0.01 -0.12 0.15 -1.01 0.02 0.00 0.00 175.26 174.30 2waq s HIS 10 N 0.98 0.19 -0.17 1.61 3.76 -1.26 -5.16 115.29 115.24 2waq s HIS 10 Ca -0.10 -0.58 -0.03 0.00 -0.15 0.00 0.00 55.06 54.20 2waq s HIS 10 Cb -0.13 -0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.43 2waq s HIS 10 CO -0.02 -0.48 -0.06 0.71 -0.85 0.00 0.00 174.74 174.05 2waq s TYR 11 N -3.46 2.95 -0.22 1.40 2.02 -1.26 -5.10 117.35 113.66 2waq s TYR 11 Ca 0.02 -0.60 -0.10 0.00 -0.37 0.00 0.00 57.07 56.02 2waq s TYR 11 Cb 0.03 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.56 2waq s TYR 11 CO -0.09 -0.26 0.13 0.42 -1.57 0.00 0.00 175.55 174.18 2waq s ILE 12 N 0.76 5.18 0.77 2.71 1.01 -1.26 -4.86 121.20 125.52 2waq s ILE 12 Ca -0.02 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 2waq s ILE 12 Cb -0.15 -3.40 0.06 0.00 0.01 0.00 0.00 42.46 38.99 2waq s ILE 12 CO 0.02 0.38 1.11 -2.16 0.00 0.00 0.00 174.94 174.29 2waq s PRO 13 N 0.87 2.14 0.25 2.79 0.04 -1.25 -4.88 135.00 134.96 2waq s PRO 13 Ca 0.07 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 2waq s PRO 13 Cb -0.13 -1.87 0.42 0.00 0.04 0.00 0.00 34.50 32.96 2waq s PRO 13 CO 0.03 -1.75 1.83 1.88 0.04 0.00 0.00 177.00 179.03 2waq h TYR 14 N -1.01 0.98 -0.09 0.56 0.05 -1.91 -2.98 116.97 112.57 2waq h TYR 14 Ca -0.44 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.29 2waq h TYR 14 Cb 1.24 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.68 2waq h TYR 14 CO 0.55 0.43 -0.24 0.66 -1.05 0.00 0.00 178.16 178.51 2waq h SER 15 N 0.91 0.38 1.14 3.88 4.64 -1.91 -3.19 113.55 119.41 2waq h SER 15 Ca 0.42 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2waq h SER 15 Cb 0.34 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2waq h SER 15 CO -0.23 0.90 0.00 0.55 -0.87 0.00 0.00 176.83 177.18 2waq n VAL 16 N -4.48 0.61 0.29 0.95 3.14 -1.22 -2.82 118.33 114.79 2waq n VAL 16 Ca -0.08 -0.07 0.17 0.00 -2.96 0.00 0.00 64.34 61.40 2waq n VAL 16 Cb 0.45 -0.76 0.81 0.00 -1.06 0.00 0.00 33.84 33.27 2waq n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2waq h ALA 17 N 2.51 1.00 0.21 1.55 0.00 -1.51 -2.68 119.26 120.34 2waq h ALA 17 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2waq h ALA 17 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2waq h ALA 17 CO 0.00 0.00 -0.10 0.87 0.00 0.00 0.00 179.25 180.02 2waq h LYS 18 N 0.00 -0.27 -1.05 0.00 1.57 -1.67 -2.95 116.57 112.20 2waq h LYS 18 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2waq h LYS 18 Cb 0.18 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2waq h LYS 18 CO 0.00 -0.08 0.00 1.63 -0.57 0.00 0.00 179.45 180.43 2waq n LYS 19 N -5.15 0.79 0.00 3.15 5.02 -1.01 -0.67 118.16 120.29 2waq n LYS 19 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2waq n LYS 19 Cb 0.18 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2waq n LYS 19 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2waq n LEU 20 N 0.41 0.68 0.09 -0.35 4.32 -1.19 -4.69 117.00 116.28 2waq n LEU 20 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.06 2waq n LEU 20 Cb 0.32 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 2waq n LEU 20 CO 0.00 0.11 -0.01 -0.07 -1.22 0.00 0.00 177.39 176.21 2waq h LEU 21 N 0.00 0.00 -0.51 2.23 4.07 -1.26 -3.32 115.31 116.52 2waq h LEU 21 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2waq h LEU 21 Cb 0.54 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 2waq h LEU 21 CO 0.00 0.24 -0.05 0.77 -1.08 0.00 0.00 178.44 178.32 2waq h SER 22 N 0.00 0.00 1.19 -0.43 4.64 -1.17 -3.12 113.55 114.65 2waq h SER 22 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2waq h SER 22 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2waq h SER 22 CO 0.02 0.05 0.00 0.44 -0.87 0.00 0.00 176.83 176.47 2waq h ASP 23 N 0.00 0.00 1.66 4.97 3.32 -1.79 -2.26 116.42 122.32 2waq h ASP 23 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2waq h ASP 23 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2waq h ASP 23 CO 0.01 0.00 0.00 1.62 -1.72 0.00 0.00 179.24 179.15 2waq h VAL 24 N 0.00 0.00 -0.71 -1.35 3.04 -1.71 -3.27 116.25 112.24 2waq h VAL 24 Ca 0.00 -0.76 -0.40 0.00 -1.01 0.00 0.00 66.70 64.54 2waq h VAL 24 Cb 0.59 1.74 -0.14 0.00 -2.01 0.00 0.00 31.29 31.48 2waq h VAL 24 CO 0.00 0.00 0.14 -0.38 -1.01 0.00 0.00 177.57 176.32 2waq n ILE 25 N -2.85 3.20 -0.01 3.17 2.08 -0.85 -3.79 119.36 120.31 2waq n ILE 25 Ca 0.04 -2.48 0.00 0.00 0.56 0.00 0.00 62.75 60.87 2waq n ILE 25 Cb 0.46 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 2waq n ILE 25 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2waq n LYS 26 N 1.38 3.12 0.13 0.38 5.02 -1.23 -5.03 118.16 121.93 2waq n LYS 26 Ca 0.46 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 2waq n LYS 26 Cb 0.67 -0.26 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 2waq n LYS 26 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2waq n SER 27 N 0.00 -1.54 -4.26 4.39 3.41 -1.25 -5.07 113.62 109.30 2waq n SER 27 Ca 0.00 0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 58.67 2waq n SER 27 Cb 0.00 1.59 -0.08 0.00 -0.26 0.00 0.00 64.21 65.46 2waq n SER 27 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2waq s GLY 28 N -3.17 2.03 0.33 5.00 0.00 -1.25 -5.07 107.32 105.20 2waq s GLY 28 Ca 0.00 -2.39 -0.29 0.00 0.00 0.00 0.00 44.72 42.04 2waq s GLY 28 CO 0.00 1.08 1.56 -1.35 0.00 0.00 0.00 173.10 174.39 2waq s SER 29 N 2.70 6.33 0.59 1.64 1.04 -1.26 -4.65 113.70 120.09 2waq s SER 29 Ca 0.04 3.02 -0.07 0.00 0.48 0.00 0.00 55.95 59.42 2waq s SER 29 Cb -0.26 -2.65 -0.00 0.00 0.10 0.00 0.00 66.02 63.21 2waq s SER 29 CO 0.01 -0.91 0.93 -0.94 0.98 0.00 0.00 173.24 173.31 2waq s SER 30 N 0.22 5.77 0.78 7.02 1.04 -1.26 -5.08 113.70 122.19 2waq s SER 30 Ca 0.59 0.92 -0.04 0.00 0.48 0.00 0.00 55.95 57.90 2waq s SER 30 Cb -0.48 -1.94 0.08 0.00 0.10 0.00 0.00 66.02 63.78 2waq s SER 30 CO 0.55 -1.00 0.47 -1.54 0.98 0.00 0.00 173.24 172.70 2waq n SER 31 N -2.62 0.27 0.27 7.02 3.41 -1.26 -4.87 113.62 115.84 2waq n SER 31 Ca 0.04 -1.31 0.15 0.00 -0.26 0.00 0.00 58.87 57.49 2waq n SER 31 Cb 0.57 -0.34 0.72 0.00 -0.26 0.00 0.00 64.21 64.90 2waq n SER 31 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2waq h ASN 32 N -0.49 0.00 -0.33 4.04 4.21 -1.99 -2.34 115.58 118.68 2waq h ASN 32 Ca -0.15 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.24 2waq h ASN 32 Cb 0.48 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 2waq h ASN 32 CO 0.13 0.10 -0.24 -0.07 -1.29 0.00 0.00 177.43 176.06 2waq h LEU 33 N 0.00 0.79 -0.07 1.61 4.07 -2.00 -2.16 115.31 117.55 2waq h LEU 33 Ca -0.00 -0.44 -0.25 0.00 0.08 0.00 0.00 57.88 57.27 2waq h LEU 33 Cb 0.43 -0.22 0.01 0.00 1.08 0.00 0.00 40.66 41.96 2waq h LEU 33 CO 0.01 1.06 -1.04 -0.07 -1.08 0.00 0.00 178.44 177.32 2waq h LEU 34 N 0.53 0.60 -1.92 1.67 4.07 -1.91 -3.19 115.31 115.16 2waq h LEU 34 Ca 0.06 -0.51 -0.02 0.00 0.08 0.00 0.00 57.88 57.49 2waq h LEU 34 Cb 0.80 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 2waq h LEU 34 CO 0.06 1.33 -0.12 1.56 -1.08 0.00 0.00 178.44 180.20 2waq h GLN 35 N 0.23 0.00 -0.23 1.13 4.20 -1.45 0.15 115.11 119.13 2waq h GLN 35 Ca -0.11 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2waq h GLN 35 Cb 1.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 2waq h GLN 35 CO 0.18 0.12 0.03 0.00 -0.67 0.00 0.00 178.83 178.49 2waq h ARG 36 N 0.00 0.39 0.00 1.46 3.08 -1.37 -2.76 114.38 115.17 2waq h ARG 36 Ca -0.00 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 2waq h ARG 36 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2waq h ARG 36 CO 0.02 0.53 -0.38 1.15 -1.07 0.00 0.00 179.97 180.22 2waq h THR 37 N 0.18 0.73 -0.64 2.04 2.02 -1.39 -1.43 112.91 114.43 2waq h THR 37 Ca 0.07 -1.74 -0.09 0.00 0.77 0.00 0.00 66.41 65.43 2waq h THR 37 Cb 0.34 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 2waq h THR 37 CO 0.01 0.37 0.07 0.22 0.37 0.00 0.00 175.52 176.55 2waq h TYR 38 N 0.00 1.16 0.00 3.16 3.20 -0.71 -1.89 116.97 121.89 2waq h TYR 38 Ca -0.00 -0.17 -0.22 0.00 3.14 0.00 0.00 58.73 61.47 2waq h TYR 38 Cb 1.11 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 2waq h TYR 38 CO 0.00 0.99 -1.26 -0.44 -1.64 0.00 0.00 178.16 175.81 2waq h ASP 39 N 1.00 0.00 -0.16 -2.11 5.19 -1.44 -3.33 116.42 115.57 2waq h ASP 39 Ca 0.19 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.48 2waq h ASP 39 Cb 0.48 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 2waq h ASP 39 CO 0.02 0.90 -0.29 0.22 -3.12 0.00 0.00 179.24 176.97 2waq h TYR 40 N 0.00 0.74 -0.03 4.55 3.20 -1.21 -2.93 116.97 121.29 2waq h TYR 40 Ca -0.13 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.50 2waq h TYR 40 Cb 1.80 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.89 2waq h TYR 40 CO 0.00 0.87 -0.27 -0.07 -1.64 0.00 0.00 178.16 177.05 2waq h LEU 41 N 0.56 0.04 -0.71 2.82 4.07 -1.46 -2.44 115.31 118.19 2waq h LEU 41 Ca 0.07 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.92 2waq h LEU 41 Cb 0.78 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 2waq h LEU 41 CO 0.06 0.31 -0.11 0.78 -1.08 0.00 0.00 178.44 178.41 2waq h ASN 42 N 0.04 0.87 1.65 -0.43 2.35 -1.62 -3.08 115.58 115.36 2waq h ASN 42 Ca 0.01 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2waq h ASN 42 Cb 0.50 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2waq h ASN 42 CO 0.04 1.00 -0.25 0.77 -1.65 0.00 0.00 177.43 177.33 2waq h SER 43 N 0.79 0.00 0.37 5.81 4.64 -1.45 -3.29 113.55 120.43 2waq h SER 43 Ca 0.13 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2waq h SER 43 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2waq h SER 43 CO 0.04 0.01 -0.53 0.55 -0.87 0.00 0.00 176.83 176.02 2waq n VAL 44 N -2.84 0.00 -1.87 0.95 3.14 -0.94 -4.89 118.33 111.88 2waq n VAL 44 Ca 0.03 -0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 60.96 2waq n VAL 44 Cb 0.52 0.41 -0.03 0.00 -1.06 0.00 0.00 33.84 33.68 2waq n VAL 44 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2waq s GLU 45 N -2.91 3.23 -0.14 1.45 2.02 -1.17 -4.80 118.70 116.38 2waq s GLU 45 Ca 0.13 1.59 0.16 0.00 0.02 0.00 0.00 54.97 56.86 2waq s GLU 45 Cb 0.18 -4.26 0.31 0.00 0.10 0.00 0.00 34.13 30.46 2waq s GLU 45 CO 0.69 -1.98 1.16 1.63 0.02 0.00 0.00 175.26 176.78 2waq n LYS 46 N 8.56 1.25 0.00 1.61 4.01 -1.26 -5.04 118.16 127.29 2waq n LYS 46 Ca 0.25 -2.68 0.00 0.00 -0.51 0.00 0.00 58.31 55.37 2waq n LYS 46 Cb 0.46 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.56 2waq n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2waq s ASP 48 N 1.65 0.87 0.11 0.00 2.15 -1.26 -5.06 116.67 115.12 2waq s ASP 48 Ca 0.00 -0.34 -0.09 0.00 0.43 0.00 0.00 52.55 52.55 2waq s ASP 48 Cb 0.00 -0.03 -0.15 0.00 -0.30 0.00 0.00 42.92 42.44 2waq s ASP 48 CO 0.00 -0.05 1.27 0.00 -0.17 0.00 0.00 175.17 176.21 2waq h ALA 49 N 5.23 0.27 0.00 3.66 0.00 -2.00 -3.19 119.26 123.24 2waq h ALA 49 Ca -0.33 -0.68 -0.20 0.00 0.00 0.00 0.00 54.91 53.70 2waq h ALA 49 Cb 1.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2waq h ALA 49 CO 0.45 0.74 -0.98 0.93 0.00 0.00 0.00 179.25 180.40 2waq h GLU 50 N 0.35 0.00 -0.01 0.00 5.08 -1.97 -3.28 114.58 114.75 2waq h GLU 50 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2waq h GLU 50 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2waq h GLU 50 CO 0.18 0.92 -0.05 0.43 -1.00 0.00 0.00 179.01 179.49 2waq n SER 51 N -3.32 0.97 0.12 1.42 7.64 -1.25 -3.94 113.62 115.27 2waq n SER 51 Ca -0.01 -1.17 -0.02 0.00 1.01 0.00 0.00 58.87 58.69 2waq n SER 51 Cb 0.92 0.01 0.20 0.00 -1.01 0.00 0.00 64.21 64.33 2waq n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2waq h ALA 52 N 4.08 1.05 0.00 -0.43 0.00 -1.61 0.12 119.26 122.47 2waq h ALA 52 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2waq h ALA 52 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2waq h ALA 52 CO 0.00 0.66 -0.05 1.04 0.00 0.00 0.00 179.25 180.91 2waq n GLN 53 N -3.92 0.18 -0.03 0.00 6.02 -1.25 -3.49 117.38 114.88 2waq n GLN 53 Ca -0.02 0.14 -0.14 0.00 -0.01 0.00 0.00 57.00 56.97 2waq n GLN 53 Cb 0.55 -1.70 -0.14 0.00 1.02 0.00 0.00 30.24 29.97 2waq n GLN 53 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2waq n LYS 54 N -2.01 0.68 -0.03 -1.09 5.02 -0.85 -4.20 118.16 115.68 2waq n LYS 54 Ca 0.06 0.24 -0.17 0.00 -2.02 0.00 0.00 58.31 56.42 2waq n LYS 54 Cb 0.40 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 2waq n LYS 54 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2waq h VAL 55 N 0.02 1.27 0.00 -0.18 3.04 -1.07 -3.20 116.25 116.14 2waq h VAL 55 Ca -0.38 -1.95 0.00 0.00 -1.01 0.00 0.00 66.70 63.36 2waq h VAL 55 Cb 2.04 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 33.26 2waq h VAL 55 CO 0.06 0.62 0.00 1.62 -1.01 0.00 0.00 177.57 178.87 2waq h VAL 56 N 0.56 0.00 0.00 1.51 3.04 -1.77 -2.17 116.25 117.42 2waq h VAL 56 Ca -0.05 -0.45 -0.08 0.00 -1.01 0.00 0.00 66.70 65.12 2waq h VAL 56 Cb 1.39 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.99 2waq h VAL 56 CO 0.16 0.00 -0.38 -0.33 -1.01 0.00 0.00 177.57 176.01 2waq h GLU 57 N 0.00 0.00 0.00 4.17 5.08 -1.72 -3.22 114.58 118.89 2waq h GLU 57 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2waq h GLU 57 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2waq h GLU 57 CO 0.00 0.38 -1.65 0.39 -1.00 0.00 0.00 179.01 177.12 2waq n GLU 58 N -3.29 0.64 -0.00 2.33 1.02 -0.92 -4.28 120.64 116.13 2waq n GLU 58 Ca 0.01 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2waq n GLU 58 Cb 0.62 -1.66 0.01 0.00 -0.02 0.00 0.00 31.44 30.38 2waq n GLU 58 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2waq h LEU 59 N 0.00 0.71 -8.27 -4.62 3.38 -1.47 -3.40 115.31 101.64 2waq h LEU 59 Ca -0.09 -0.42 -0.56 0.00 0.09 0.00 0.00 57.88 56.90 2waq h LEU 59 Cb 1.25 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 2waq h LEU 59 CO 0.01 1.17 1.23 -0.94 0.09 0.00 0.00 178.44 180.00 2waq s SER 60 N -6.98 6.23 0.00 -0.43 1.04 -1.22 -4.44 113.70 107.91 2waq s SER 60 Ca -0.08 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2waq s SER 60 Cb 0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2waq s SER 60 CO 0.86 -1.76 0.00 -1.54 0.98 0.00 0.00 173.24 171.79 2waq n SER 61 N 9.41 0.00 -4.87 7.02 3.41 -1.26 -5.00 113.62 122.32 2waq n SER 61 Ca 0.15 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.54 2waq n SER 61 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 2waq n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2waq s ILE 62 N -1.00 2.34 -0.36 -1.33 1.01 -1.26 -5.04 121.20 115.56 2waq s ILE 62 Ca 0.00 -1.41 -0.27 0.00 0.00 0.00 0.00 60.65 58.97 2waq s ILE 62 Cb 0.00 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 2waq s ILE 62 CO 0.00 0.00 2.22 -0.51 0.00 0.00 0.00 174.94 176.65 2waq s ILE 63 N -2.57 3.08 0.00 2.92 -1.16 -1.26 -4.83 121.20 117.38 2waq s ILE 63 Ca 0.44 0.07 0.00 0.00 -0.51 0.00 0.00 60.65 60.66 2waq s ILE 63 Cb -0.02 -3.15 0.00 0.00 0.61 0.00 0.00 42.46 39.90 2waq s ILE 63 CO 0.26 -0.12 0.00 -1.20 -2.81 0.00 0.00 174.94 171.07 2waq n SER 64 N 13.27 0.00 -4.20 4.50 7.64 -1.26 -5.20 113.62 128.38 2waq n SER 64 Ca 0.31 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.07 2waq n SER 64 Cb 0.50 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.60 2waq n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2waq s ARG 65 N 1.66 1.18 0.19 1.43 0.52 -1.26 -5.07 118.95 117.59 2waq s ARG 65 Ca 0.00 -1.61 -0.07 0.00 -0.52 0.00 0.00 55.73 53.53 2waq s ARG 65 Cb 0.00 0.27 0.10 0.00 0.52 0.00 0.00 34.95 35.84 2waq s ARG 65 CO 0.00 -0.38 1.58 0.93 0.02 0.00 0.00 175.30 177.45 2waq h GLU 66 N 2.64 0.84 -0.38 3.54 5.08 -2.01 -3.28 114.58 121.01 2waq h GLU 66 Ca -0.36 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 2waq h GLU 66 Cb 1.25 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2waq h GLU 66 CO 0.53 1.01 0.25 0.38 -1.00 0.00 0.00 179.01 180.18 2waq h ASP 67 N 0.72 0.43 -0.07 1.42 -0.00 -1.97 -2.12 116.42 114.83 2waq h ASP 67 Ca 0.09 -0.01 -0.20 0.00 -0.00 0.00 0.00 57.03 56.91 2waq h ASP 67 Cb 0.81 -0.11 0.01 0.00 -0.00 0.00 0.00 39.33 40.05 2waq h ASP 67 CO 0.07 0.32 -0.73 1.62 -0.00 0.00 0.00 179.24 180.52 2waq h VAL 68 N 0.51 1.34 -0.17 4.15 3.04 -1.97 -2.95 116.25 120.20 2waq h VAL 68 Ca 0.14 -2.03 -0.12 0.00 -1.01 0.00 0.00 66.70 63.68 2waq h VAL 68 Cb -0.06 2.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 2waq h VAL 68 CO -0.03 0.62 -0.41 0.03 -1.01 0.00 0.00 177.57 176.76 2waq h ARG 69 N 0.24 0.39 0.00 4.17 3.08 -1.60 -2.54 114.38 118.12 2waq h ARG 69 Ca -0.07 -0.19 -0.21 0.00 0.07 0.00 0.00 59.98 59.58 2waq h ARG 69 Cb 1.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 2waq h ARG 69 CO 0.15 0.74 -1.09 0.00 -1.07 0.00 0.00 179.97 178.70 2waq h ALA 70 N 1.24 0.50 0.00 0.04 0.00 -1.47 -3.17 119.26 116.39 2waq h ALA 70 Ca 0.03 -0.95 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 2waq h ALA 70 Cb 0.87 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2waq h ALA 70 CO 0.07 1.20 -0.59 -0.24 0.00 0.00 0.00 179.25 179.70 2waq h VAL 71 N 0.00 0.86 -0.00 0.00 3.04 -1.51 -3.16 116.25 115.48 2waq h VAL 71 Ca -0.07 -2.24 0.00 0.00 -1.01 0.00 0.00 66.70 63.38 2waq h VAL 71 Cb 1.75 2.41 0.00 0.00 -2.01 0.00 0.00 31.29 33.44 2waq h VAL 71 CO 0.11 0.49 -0.09 0.18 -1.01 0.00 0.00 177.57 177.25 2waq n LEU 72 N -3.20 0.48 0.18 3.16 4.32 -0.96 -4.06 117.00 116.92 2waq n LEU 72 Ca 0.01 -0.01 0.14 0.00 -0.02 0.00 0.00 56.01 56.12 2waq n LEU 72 Cb 0.75 -0.16 0.52 0.00 -1.62 0.00 0.00 43.42 42.91 2waq n LEU 72 CO 0.41 0.09 0.90 0.00 -1.22 0.00 0.00 177.39 177.57 2waq h ALA 73 N 3.68 1.00 0.00 -1.18 0.00 -1.52 -3.30 119.26 117.94 2waq h ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2waq h ALA 73 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2waq h ALA 73 CO 0.00 0.00 -0.56 -1.13 0.00 0.00 0.00 179.25 177.56 2waq n SER 74 N -2.57 2.82 -0.08 0.00 3.41 -1.26 -4.74 113.62 111.20 2waq n SER 74 Ca 0.02 -0.10 -0.15 0.00 -0.26 0.00 0.00 58.87 58.38 2waq n SER 74 Cb 0.30 0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 64.97 2waq n SER 74 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2waq h ILE 75 N 0.00 1.28 -4.57 -1.33 2.04 -1.71 -3.39 117.51 109.83 2waq h ILE 75 Ca 0.00 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.16 2waq h ILE 75 Cb 0.00 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2waq h ILE 75 CO 0.00 0.55 -0.50 0.00 0.00 0.00 0.00 178.15 178.20 2waq s PRO 77 N -1.73 4.26 -0.20 0.00 0.04 -1.26 -4.99 135.00 131.12 2waq s PRO 77 Ca 0.10 0.52 -0.17 0.00 0.04 0.00 0.00 61.00 61.49 2waq s PRO 77 Cb -0.03 -3.52 -0.13 0.00 0.04 0.00 0.00 34.50 30.87 2waq s PRO 77 CO 0.55 -0.06 -0.02 -0.89 0.04 0.00 0.00 177.00 176.62 2waq n ILE 78 N 4.24 1.50 -2.58 0.56 5.41 -1.26 -4.85 119.36 122.39 2waq n ILE 78 Ca -0.04 -0.01 -0.39 0.00 1.00 0.00 0.00 62.75 63.30 2waq n ILE 78 Cb 0.51 -2.13 -0.05 0.00 -0.71 0.00 0.00 39.64 37.26 2waq n ILE 78 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2waq s THR 79 N -2.40 3.72 0.64 1.39 2.01 -1.26 -4.94 115.64 114.81 2waq s THR 79 Ca -0.27 1.64 0.38 0.00 0.31 0.00 0.00 61.69 63.75 2waq s THR 79 Cb 0.06 -4.01 0.40 0.00 0.01 0.00 0.00 72.50 68.97 2waq s THR 79 CO 0.47 0.32 2.29 1.55 -0.69 0.00 0.00 174.62 178.56 2waq h PRO 80 N 3.63 0.00 0.04 4.92 0.13 -1.99 0.07 132.00 138.81 2waq h PRO 80 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 2waq h PRO 80 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2waq h PRO 80 CO 0.66 0.00 -1.04 -0.44 -0.23 0.00 0.00 178.00 176.95 2waq h ASP 81 N 0.00 0.53 0.93 1.44 3.45 -1.99 -3.20 116.42 117.57 2waq h ASP 81 Ca 0.01 -0.46 -0.12 0.00 0.43 0.00 0.00 57.03 56.88 2waq h ASP 81 Cb 0.07 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 2waq h ASP 81 CO -0.00 1.28 -0.58 -0.08 -1.57 0.00 0.00 179.24 178.29 2waq h GLU 82 N 0.19 0.00 0.00 3.56 4.57 -1.50 -2.91 114.58 118.50 2waq h GLU 82 Ca -0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2waq h GLU 82 Cb 1.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.29 2waq h GLU 82 CO 0.18 0.58 0.00 -0.24 -1.18 0.00 0.00 179.01 178.35 2waq h VAL 83 N 0.00 0.00 0.00 0.32 3.04 -1.14 -3.08 116.25 115.39 2waq h VAL 83 Ca -0.01 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2waq h VAL 83 Cb 1.20 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 2waq h VAL 83 CO 0.08 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.18 2waq n ARG 84 N -2.65 0.96 0.00 4.17 1.74 -1.10 -3.46 116.66 116.33 2waq n ARG 84 Ca 0.04 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.26 2waq n ARG 84 Cb 0.42 -1.07 0.68 0.00 -1.02 0.00 0.00 32.46 31.46 2waq n ARG 84 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2waq n SER 85 N -0.42 0.28 -4.01 0.55 3.41 -1.16 -4.43 113.62 107.84 2waq n SER 85 Ca 0.00 -0.45 -0.32 0.00 -0.26 0.00 0.00 58.87 57.83 2waq n SER 85 Cb 0.04 -0.14 -0.11 0.00 -0.26 0.00 0.00 64.21 63.74 2waq n SER 85 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2waq s ILE 86 N -2.48 3.24 0.00 -1.33 1.09 -1.22 -4.78 121.20 115.72 2waq s ILE 86 Ca 0.30 -3.47 0.00 0.00 -1.10 0.00 0.00 60.65 56.38 2waq s ILE 86 Cb 0.20 -3.14 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 2waq s ILE 86 CO 0.46 -0.90 0.32 0.18 -0.10 0.00 0.00 174.94 174.91 2waq n LEU 87 N 2.90 0.65 0.14 2.97 4.32 -1.26 -4.47 117.00 122.24 2waq n LEU 87 Ca 0.11 -0.78 0.03 0.00 -0.02 0.00 0.00 56.01 55.35 2waq n LEU 87 Cb 0.35 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.18 2waq n LEU 87 CO 0.33 0.16 0.41 0.16 -1.22 0.00 0.00 177.39 177.23 2waq h ILE 88 N 0.06 0.71 -0.01 -0.08 -2.65 -1.96 -0.48 117.51 113.09 2waq h ILE 88 Ca 0.00 -2.03 0.00 0.00 1.03 0.00 0.00 64.86 63.86 2waq h ILE 88 Cb 0.03 2.31 0.00 0.00 -2.05 0.00 0.00 36.82 37.11 2waq h ILE 88 CO 0.00 0.40 -0.20 0.23 0.03 0.00 0.00 178.15 178.61 2waq n MET 89 N -3.16 1.22 -0.00 0.16 2.81 -1.26 -3.75 117.12 113.14 2waq n MET 89 Ca 0.01 -0.80 0.07 0.00 -1.81 0.00 0.00 57.70 55.17 2waq n MET 89 Cb 0.72 -1.48 -0.09 0.00 -0.71 0.00 0.00 33.22 31.66 2waq n MET 89 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2waq n ASP 90 N -0.19 0.85 0.15 7.83 9.92 -1.13 -4.40 116.55 129.58 2waq n ASP 90 Ca 0.14 -0.69 0.02 0.00 -0.53 0.00 0.00 54.79 53.73 2waq n ASP 90 Cb 0.39 1.13 0.20 0.00 -0.64 0.00 0.00 41.12 42.20 2waq n ASP 90 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2waq h SER 91 N 0.00 0.00 0.00 -2.24 0.87 -1.17 -3.50 113.55 107.51 2waq h SER 91 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2waq h SER 91 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2waq h SER 91 CO 0.00 0.52 0.00 0.59 -0.53 0.00 0.00 176.83 177.41