#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4q n VAL 3 N 0.00 1.42 -0.02 0.00 3.14 -1.26 -4.08 118.33 117.52 1m4q n VAL 3 Ca 0.00 -0.83 -0.16 0.00 -2.96 0.00 0.00 64.34 60.39 1m4q n VAL 3 Cb 0.00 -0.59 -0.13 0.00 -1.06 0.00 0.00 33.84 32.05 1m4q n VAL 3 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1m4q h SER 4 N 0.00 0.20 -0.62 6.55 4.64 -2.05 -3.15 113.55 119.12 1m4q h SER 4 Ca -0.53 -0.94 0.10 0.00 -0.47 0.00 0.00 61.79 59.95 1m4q h SER 4 Cb 2.20 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 64.15 1m4q h SER 4 CO 0.02 1.12 0.24 -0.08 -0.87 0.00 0.00 176.83 177.26 1m4q h GLU 5 N -0.69 0.41 -0.68 4.77 4.81 -1.99 0.30 114.58 121.51 1m4q h GLU 5 Ca -0.05 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1m4q h GLU 5 Cb 1.21 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1m4q h GLU 5 CO 0.06 0.27 0.43 0.77 -0.73 0.00 0.00 179.01 179.81 1m4q h SER 6 N 0.42 0.72 0.11 1.04 0.02 -1.71 -1.92 113.55 112.23 1m4q h SER 6 Ca 0.31 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.13 1m4q h SER 6 Cb 0.39 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1m4q h SER 6 CO -0.31 0.51 -0.44 -0.61 -1.14 0.00 0.00 176.83 174.84 1m4q h GLN 7 N 0.86 0.41 -0.71 3.45 4.15 -1.20 -2.96 115.11 119.10 1m4q h GLN 7 Ca 0.27 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 1m4q h GLN 7 Cb -0.02 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1m4q h GLN 7 CO -0.09 0.77 0.43 1.25 -1.93 0.00 0.00 178.83 179.26 1m4q h LEU 8 N 0.33 0.84 -0.72 -2.39 5.85 0.28 -2.25 115.31 117.25 1m4q h LEU 8 Ca 0.02 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.79 1m4q h LEU 8 Cb 0.91 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 1m4q h LEU 8 CO 0.08 0.65 0.38 0.50 -0.34 0.00 0.00 178.44 179.70 1m4q h LYS 9 N 0.97 0.63 0.00 1.25 3.64 -1.21 0.12 116.57 121.97 1m4q h LYS 9 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1m4q h LYS 9 Cb -0.04 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1m4q h LYS 9 CO -0.05 0.42 0.00 0.87 -2.27 0.00 0.00 179.45 178.42 1m4q h LYS 10 N 0.65 0.00 0.00 1.90 1.57 -1.50 -3.05 116.57 116.14 1m4q h LYS 10 Ca 0.35 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1m4q h LYS 10 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1m4q h LYS 10 CO -0.25 0.00 -0.11 1.98 -0.57 0.00 0.00 179.45 180.50 1m4q h MET 11 N 0.00 0.00 0.00 3.15 4.05 -0.30 -3.38 114.93 118.45 1m4q h MET 11 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1m4q h MET 11 Cb 0.62 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1m4q h MET 11 CO 0.00 0.11 0.00 1.33 0.23 0.00 0.00 176.91 178.58 1m4q n VAL 12 N -3.89 0.00 0.00 -5.77 0.24 -1.15 -4.65 118.33 103.11 1m4q n VAL 12 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1m4q n VAL 12 Cb 0.21 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 1m4q n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1m4q n SER 13 N -0.63 0.00 -0.09 -1.34 7.64 -1.22 -3.91 113.62 114.07 1m4q n SER 13 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1m4q n SER 13 Cb 0.00 0.00 0.86 0.00 -1.01 0.00 0.00 64.21 64.06 1m4q n SER 13 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1m4q n LYS 14 N 0.00 1.12 -2.29 1.43 2.85 -1.26 -4.87 118.16 115.14 1m4q n LYS 14 Ca 0.00 -0.17 -0.39 0.00 -1.05 0.00 0.00 58.31 56.70 1m4q n LYS 14 Cb 0.00 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 32.87 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1m4q s TYR 15 N -2.00 3.11 0.53 5.58 1.51 -1.25 -4.91 117.35 119.92 1m4q s TYR 15 Ca 0.46 1.55 0.19 0.00 -1.01 0.00 0.00 57.07 58.26 1m4q s TYR 15 Cb 0.22 -3.42 1.40 0.00 -0.11 0.00 0.00 41.96 40.04 1m4q s TYR 15 CO 0.36 -1.32 2.17 -0.22 -1.11 0.00 0.00 175.55 175.43 1m4q h LYS 16 N 2.83 0.00 -2.07 -0.62 1.63 -1.90 -3.23 116.57 113.22 1m4q h LYS 16 Ca -0.49 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 58.75 1m4q h LYS 16 Cb 1.23 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 32.47 1m4q h LYS 16 CO 0.63 0.01 -1.02 0.66 -3.45 0.00 0.00 179.45 176.28 1m4q n TYR 17 N -4.35 0.20 -0.12 1.91 4.01 -1.26 -4.99 117.16 112.56 1m4q n TYR 17 Ca -0.03 -3.64 -0.09 0.00 -0.16 0.00 0.00 57.90 53.98 1m4q n TYR 17 Cb 0.10 -0.34 -0.04 0.00 -0.31 0.00 0.00 39.34 38.75 1m4q n TYR 17 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1m4q h ARG 18 N 4.16 -0.31 0.30 -0.72 3.08 -1.90 1.13 114.38 120.12 1m4q h ARG 18 Ca 0.10 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1m4q h ARG 18 Cb 0.85 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1m4q h ARG 18 CO 0.51 -0.20 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.62 1m4q h ASP 19 N -0.32 -0.34 0.33 7.04 5.19 -1.94 0.32 116.42 126.71 1m4q h ASP 19 Ca 0.14 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1m4q h ASP 19 Cb 0.58 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 1m4q h ASP 19 CO -0.56 -0.23 -0.06 0.25 -3.12 0.00 0.00 179.24 175.52 1m4q h LEU 20 N -0.42 0.00 0.12 1.55 5.85 -1.85 -0.71 115.31 119.85 1m4q h LEU 20 Ca -0.04 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.44 1m4q h LEU 20 Cb 0.32 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.35 1m4q h LEU 20 CO 0.07 0.06 -1.18 0.74 -0.34 0.00 0.00 178.44 177.79 1m4q h THR 21 N 0.00 1.21 -0.37 1.05 2.02 0.18 -3.11 112.91 113.90 1m4q h THR 21 Ca -0.00 -2.45 -0.03 0.00 0.77 0.00 0.00 66.41 64.70 1m4q h THR 21 Cb 0.24 2.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 1m4q h THR 21 CO 0.01 0.70 0.11 0.58 0.37 0.00 0.00 175.52 177.29 1m4q h VAL 22 N -0.35 1.21 -0.72 3.16 2.07 -0.07 -1.84 116.25 119.72 1m4q h VAL 22 Ca -0.24 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1m4q h VAL 22 Cb 1.71 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1m4q h VAL 22 CO 0.09 0.24 0.47 -0.09 0.02 0.00 0.00 177.57 178.30 1m4q h ARG 23 N 0.45 0.91 -0.56 1.57 2.43 -1.29 -1.36 114.38 116.53 1m4q h ARG 23 Ca 0.12 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1m4q h ARG 23 Cb 0.26 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1m4q h ARG 23 CO -0.00 0.60 0.27 0.93 -1.51 0.00 0.00 179.97 180.26 1m4q h GLU 24 N 0.94 0.81 0.90 0.20 5.08 -1.44 -0.90 114.58 120.17 1m4q h GLU 24 Ca 0.27 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1m4q h GLU 24 Cb -0.07 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.04 1m4q h GLU 24 CO -0.07 0.66 -0.45 1.15 -1.00 0.00 0.00 179.01 179.30 1m4q h THR 25 N 0.76 0.09 -0.94 1.13 2.02 -0.87 -2.14 112.91 112.95 1m4q h THR 25 Ca 0.19 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.50 1m4q h THR 25 Cb 0.12 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 66.53 1m4q h THR 25 CO -0.02 0.00 0.56 -0.37 0.37 0.00 0.00 175.52 176.06 1m4q h VAL 26 N -1.23 0.85 -0.44 3.16 -1.51 -1.23 -1.60 116.25 114.24 1m4q h VAL 26 Ca -0.12 -0.29 0.04 0.00 -1.23 0.00 0.00 66.70 65.10 1m4q h VAL 26 Cb 0.95 -0.08 -0.04 0.00 -2.13 0.00 0.00 31.29 29.99 1m4q h VAL 26 CO 0.19 0.16 0.19 0.78 -1.23 0.00 0.00 177.57 177.66 1m4q h ASN 27 N 0.86 0.25 0.17 4.19 4.21 -0.97 0.93 115.58 125.22 1m4q h ASN 27 Ca 0.48 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 58.02 1m4q h ASN 27 Cb 0.55 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 1m4q h ASN 27 CO -0.30 0.18 -0.08 0.58 -1.29 0.00 0.00 177.43 176.52 1m4q h VAL 28 N 0.39 0.90 -0.54 2.81 2.07 -0.64 0.17 116.25 121.41 1m4q h VAL 28 Ca 0.20 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 1m4q h VAL 28 Cb 0.14 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1m4q h VAL 28 CO -0.17 0.07 -0.07 0.16 0.02 0.00 0.00 177.57 177.58 1m4q h ILE 29 N -0.36 1.27 -0.01 4.57 3.07 -1.20 -0.03 117.51 124.82 1m4q h ILE 29 Ca -0.02 -1.22 -0.09 0.00 1.55 0.00 0.00 64.86 65.07 1m4q h ILE 29 Cb 0.28 0.95 -0.01 0.00 -0.27 0.00 0.00 36.82 37.77 1m4q h ILE 29 CO 0.04 0.43 -0.44 0.74 -1.05 0.00 0.00 178.15 177.87 1m4q h THR 30 N 0.88 1.32 0.18 0.16 2.02 0.95 0.96 112.91 119.39 1m4q h THR 30 Ca 0.14 -1.52 -0.26 0.00 0.77 0.00 0.00 66.41 65.54 1m4q h THR 30 Cb 0.63 1.81 0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1m4q h THR 30 CO 0.04 0.44 -1.18 0.25 0.37 0.00 0.00 175.52 175.44 1m4q h LEU 31 N 0.02 0.61 0.09 2.58 5.85 -0.46 -3.35 115.31 120.64 1m4q h LEU 31 Ca -0.00 -0.93 -0.27 0.00 0.84 0.00 0.00 57.88 57.51 1m4q h LEU 31 Cb 0.79 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1m4q h LEU 31 CO 0.06 1.56 -1.34 1.88 -0.34 0.00 0.00 178.44 180.26 1m4q h TYR 32 N -0.15 0.33 0.00 1.25 0.05 -0.98 -3.47 116.97 114.00 1m4q h TYR 32 Ca -0.21 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1m4q h TYR 32 Cb 1.88 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.60 1m4q h TYR 32 CO 0.16 1.24 0.00 0.36 -1.05 0.00 0.00 178.16 178.87 1m4q n LYS 33 N -3.42 -0.24 -0.01 4.88 2.85 0.33 -4.68 118.16 117.87 1m4q n LYS 33 Ca -0.10 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1m4q n LYS 33 Cb 1.02 -3.79 -0.02 0.00 -0.65 0.00 0.00 35.03 31.58 1m4q n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1m4q n ASP 34 N -0.12 4.31 -4.88 -5.58 8.00 -1.26 -5.03 116.55 112.00 1m4q n ASP 34 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1m4q n ASP 34 Cb 0.06 0.90 -0.03 0.00 -0.02 0.00 0.00 41.12 42.03 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1m4q s LEU 35 N -3.62 3.86 -0.01 0.64 2.96 -1.26 -3.74 118.68 117.51 1m4q s LEU 35 Ca -0.01 1.09 -0.17 0.00 -0.22 0.00 0.00 54.13 54.82 1m4q s LEU 35 Cb 0.01 -3.96 0.03 0.00 0.50 0.00 0.00 46.19 42.77 1m4q s LEU 35 CO 0.12 -0.37 0.37 -0.54 -1.32 0.00 0.00 176.35 174.61 1m4q s LYS 36 N -3.79 0.76 0.26 1.98 1.02 0.28 -4.51 119.74 115.74 1m4q s LYS 36 Ca 0.50 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.01 1m4q s LYS 36 Cb -0.10 0.34 -0.09 0.00 -0.52 0.00 0.00 37.83 37.45 1m4q s LYS 36 CO 0.31 -0.22 1.09 -1.25 -0.92 0.00 0.00 175.35 174.35 1m4q s PRO 37 N -1.56 4.65 -0.01 -1.68 0.04 -1.26 -0.85 135.00 134.33 1m4q s PRO 37 Ca -0.12 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.70 1m4q s PRO 37 Cb -0.04 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1m4q s PRO 37 CO 0.04 0.22 -0.02 0.54 0.04 0.00 0.00 177.00 177.82 1m4q s VAL 38 N -1.06 0.20 0.01 -0.36 0.11 0.21 -4.90 120.40 114.62 1m4q s VAL 38 Ca 0.45 -0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.34 1m4q s VAL 38 Cb -0.31 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1m4q s VAL 38 CO 0.40 0.09 0.34 -0.22 -3.33 0.00 0.00 175.10 172.38 1m4q s LEU 39 N 0.30 4.41 -0.28 2.54 1.98 -1.26 0.67 118.68 127.03 1m4q s LEU 39 Ca -0.03 0.77 -0.07 0.00 -2.89 0.00 0.00 54.13 51.91 1m4q s LEU 39 Cb -0.05 -2.65 0.14 0.00 0.66 0.00 0.00 46.19 44.28 1m4q s LEU 39 CO -0.01 0.28 0.58 -1.81 -1.89 0.00 0.00 176.35 173.50 1m4q s ASP 40 N -1.40 -0.97 -0.12 3.68 1.01 -0.88 -4.93 116.67 113.06 1m4q s ASP 40 Ca 0.26 1.23 -0.29 0.00 0.71 0.00 0.00 52.55 54.45 1m4q s ASP 40 Cb -0.15 2.04 -0.01 0.00 1.01 0.00 0.00 42.92 45.81 1m4q s ASP 40 CO 0.14 -0.24 1.12 -0.55 0.21 0.00 0.00 175.17 175.85 1m4q s SER 41 N 2.82 7.10 0.02 0.27 0.15 -1.26 -2.02 113.70 120.79 1m4q s SER 41 Ca 0.02 1.62 0.01 0.00 0.70 0.00 0.00 55.95 58.30 1m4q s SER 41 Cb -0.13 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 1m4q s SER 41 CO -0.18 -0.59 -0.04 -0.47 1.20 0.00 0.00 173.24 173.16 1m4q s TYR 42 N 2.55 0.37 0.35 3.44 5.04 -0.53 -4.76 117.35 123.81 1m4q s TYR 42 Ca 0.51 -0.47 -0.16 0.00 -2.44 0.00 0.00 57.07 54.51 1m4q s TYR 42 Cb -0.20 -0.24 -0.09 0.00 0.35 0.00 0.00 41.96 41.77 1m4q s TYR 42 CO 0.16 -0.14 0.79 0.14 -1.34 0.00 0.00 175.55 175.16 1m4q s VAL 43 N -1.30 4.62 0.09 3.14 -7.23 -1.26 0.11 120.40 118.56 1m4q s VAL 43 Ca -0.13 1.05 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 1m4q s VAL 43 Cb -0.09 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1m4q s VAL 43 CO -0.01 -0.24 0.00 0.49 -0.31 0.00 0.00 175.10 175.04 1m4q n PHE 44 N -0.49 -1.45 -1.51 2.82 3.72 -1.18 -4.74 117.46 114.64 1m4q n PHE 44 Ca 0.04 0.21 -0.12 0.00 -0.05 0.00 0.00 57.45 57.53 1m4q n PHE 44 Cb 0.53 0.81 -0.10 0.00 -0.94 0.00 0.00 39.48 39.79 1m4q n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1m4q n ASN 45 N -2.74 0.93 -1.93 4.37 3.02 -1.26 -3.16 115.26 114.49 1m4q n ASN 45 Ca 0.00 -2.09 -0.11 0.00 -0.03 0.00 0.00 54.58 52.35 1m4q n ASN 45 Cb 0.00 -1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 37.60 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1m4q n ASP 46 N 17.48 -3.27 0.00 6.41 8.00 -1.26 -3.57 116.55 140.34 1m4q n ASP 46 Ca 0.38 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1m4q n ASP 46 Cb 0.45 -2.94 0.00 0.00 -0.02 0.00 0.00 41.12 38.61 1m4q n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1m4q n GLY 47 N -0.51 0.74 3.02 0.44 0.00 -1.19 -5.12 105.19 102.57 1m4q n GLY 47 Ca -0.12 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 1m4q n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4q s SER 48 N -0.58 -0.45 0.36 1.61 0.15 -1.23 -4.85 113.70 108.71 1m4q s SER 48 Ca 0.00 -0.54 -0.24 0.00 0.70 0.00 0.00 55.95 55.87 1m4q s SER 48 Cb 0.00 1.46 -0.14 0.00 -1.71 0.00 0.00 66.02 65.62 1m4q s SER 48 CO 0.00 -0.28 0.50 -1.20 1.20 0.00 0.00 173.24 173.45 1m4q n SER 49 N 4.96 -1.13 -3.73 5.45 7.64 -1.26 -3.10 113.62 122.45 1m4q n SER 49 Ca 0.06 0.96 -0.12 0.00 1.01 0.00 0.00 58.87 60.77 1m4q n SER 49 Cb 0.52 -1.06 -0.11 0.00 -1.01 0.00 0.00 64.21 62.55 1m4q n SER 49 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1m4q s ARG 50 N -1.36 0.38 -0.80 1.43 3.52 0.29 -4.82 118.95 117.60 1m4q s ARG 50 Ca 0.62 0.57 -0.25 0.00 -0.13 0.00 0.00 55.73 56.54 1m4q s ARG 50 Cb -0.68 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 32.77 1m4q s ARG 50 CO 0.59 -0.09 1.94 -1.83 -0.81 0.00 0.00 175.30 175.09 1m4q s GLU 51 N 0.64 2.55 -0.32 5.12 1.03 -1.26 -1.46 118.70 125.00 1m4q s GLU 51 Ca -0.04 0.05 -0.14 0.00 0.03 0.00 0.00 54.97 54.87 1m4q s GLU 51 Cb -0.05 -4.83 -0.02 0.00 -0.80 0.00 0.00 34.13 28.43 1m4q s GLU 51 CO -0.04 -3.19 0.32 -1.17 -1.33 0.00 0.00 175.26 169.85 1m4q s LEU 52 N 9.90 4.32 -0.84 1.83 0.20 -0.86 -4.90 118.68 128.33 1m4q s LEU 52 Ca 0.70 -0.14 -0.25 0.00 0.69 0.00 0.00 54.13 55.13 1m4q s LEU 52 Cb -0.09 -2.30 0.04 0.00 -0.43 0.00 0.00 46.19 43.42 1m4q s LEU 52 CO 0.07 -0.26 1.32 -0.32 -0.29 0.00 0.00 176.35 176.87 1m4q s MET 53 N 1.95 3.34 0.31 1.98 -2.45 -1.26 -2.08 119.30 121.09 1m4q s MET 53 Ca 0.11 -0.62 -0.02 0.00 -1.25 0.00 0.00 55.69 53.91 1m4q s MET 53 Cb -0.16 -4.62 -0.04 0.00 1.25 0.00 0.00 34.83 31.25 1m4q s MET 53 CO 0.11 -2.15 0.54 0.54 1.05 0.00 0.00 175.02 175.11 1m4q s ASN 54 N 4.18 6.35 -0.07 1.11 4.22 0.21 -3.00 114.94 127.95 1m4q s ASN 54 Ca 0.38 0.54 -0.06 0.00 -2.14 0.00 0.00 52.86 51.58 1m4q s ASN 54 Cb -0.06 -2.07 -0.04 0.00 1.28 0.00 0.00 41.25 40.36 1m4q s ASN 54 CO 0.05 -0.24 0.19 -0.76 -2.04 0.00 0.00 177.10 174.30 1m4q s LEU 55 N -3.96 4.39 0.20 3.54 2.01 0.31 0.64 118.68 125.80 1m4q s LEU 55 Ca 0.41 0.49 -0.04 0.00 0.01 0.00 0.00 54.13 55.00 1m4q s LEU 55 Cb -0.10 -2.32 -0.03 0.00 0.01 0.00 0.00 46.19 43.75 1m4q s LEU 55 CO 0.34 0.35 0.21 0.28 1.01 0.00 0.00 176.35 178.53 1m4q s THR 56 N -1.14 0.02 0.00 5.49 -1.32 -0.03 -0.58 115.64 118.08 1m4q s THR 56 Ca 0.20 -1.81 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 1m4q s THR 56 Cb -0.13 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.55 1m4q s THR 56 CO 0.10 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1m4q n GLY 57 N -0.26 3.78 3.58 6.08 0.00 -1.25 0.10 105.19 117.22 1m4q n GLY 57 Ca -0.01 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1m4q n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m4q s THR 58 N -2.39 5.00 0.13 2.61 -4.23 -1.25 -2.38 115.64 113.13 1m4q s THR 58 Ca 0.00 0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 61.04 1m4q s THR 58 Cb 0.00 -3.94 -0.06 0.00 1.34 0.00 0.00 72.50 69.84 1m4q s THR 58 CO 0.00 -0.12 0.42 0.27 -0.54 0.00 0.00 174.62 174.65 1m4q s ILE 59 N 2.44 5.08 -0.18 2.99 -4.36 0.67 -4.59 121.20 123.25 1m4q s ILE 59 Ca 0.21 0.33 -0.29 0.00 -0.26 0.00 0.00 60.65 60.64 1m4q s ILE 59 Cb -0.15 -3.64 -0.03 0.00 1.25 0.00 0.00 42.46 39.89 1m4q s ILE 59 CO 0.12 0.15 1.64 -2.16 0.24 0.00 0.00 174.94 174.92 1m4q s PRO 60 N -2.31 3.87 -0.31 0.37 0.04 -1.26 -1.64 135.00 133.76 1m4q s PRO 60 Ca 0.38 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 63.21 1m4q s PRO 60 Cb -0.13 -4.03 0.06 0.00 0.04 0.00 0.00 34.50 30.45 1m4q s PRO 60 CO 0.21 -1.21 0.01 0.08 0.04 0.00 0.00 177.00 176.13 1m4q s VAL 61 N 5.00 2.82 0.05 -0.36 1.01 -0.37 -4.97 120.40 123.59 1m4q s VAL 61 Ca 0.72 -1.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1m4q s VAL 61 Cb -0.27 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1m4q s VAL 61 CO 0.29 -0.21 1.12 -2.16 0.00 0.00 0.00 175.10 174.14 1m4q s PRO 62 N 1.18 4.49 0.00 2.72 0.04 -1.26 -1.50 135.00 140.67 1m4q s PRO 62 Ca -0.03 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1m4q s PRO 62 Cb -0.20 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1m4q s PRO 62 CO -0.03 -0.16 0.00 0.98 0.04 0.00 0.00 177.00 177.84 1m4q n TYR 63 N 3.76 0.00 0.00 0.56 9.36 0.16 -4.40 117.16 126.61 1m4q n TYR 63 Ca 0.07 0.00 0.21 0.00 3.32 0.00 0.00 57.90 61.50 1m4q n TYR 63 Cb 0.48 0.00 0.70 0.00 -0.63 0.00 0.00 39.34 39.89 1m4q n TYR 63 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1m4q h ARG 64 N 0.00 0.00 0.00 2.98 9.65 -1.97 -3.33 114.38 121.71 1m4q h ARG 64 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1m4q h ARG 64 Cb 0.00 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 1m4q h ARG 64 CO 0.00 0.00 -0.08 0.41 2.80 0.00 0.00 179.97 183.10 1m4q n GLY 65 N -1.63 0.46 0.00 2.80 0.00 -1.26 -5.15 105.19 100.41 1m4q n GLY 65 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1m4q n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m4q n ASN 66 N 0.00 0.00 -3.21 1.61 0.23 -1.25 -5.16 115.26 107.47 1m4q n ASN 66 Ca -0.08 -0.79 0.00 0.00 -0.53 0.00 0.00 54.58 53.18 1m4q n ASN 66 Cb 0.43 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.10 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1m4q s THR 67 N -2.03 -0.90 0.41 5.53 2.01 -1.26 0.38 115.64 119.79 1m4q s THR 67 Ca 0.00 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1m4q s THR 67 Cb 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1m4q s THR 67 CO 0.00 -0.03 0.58 -0.31 -0.69 0.00 0.00 174.62 174.17 1m4q s TYR 68 N 2.78 3.01 -0.98 4.92 1.51 -0.56 -4.81 117.35 123.22 1m4q s TYR 68 Ca 0.18 -0.15 -0.12 0.00 -1.01 0.00 0.00 57.07 55.97 1m4q s TYR 68 Cb -0.15 -2.28 0.24 0.00 -0.11 0.00 0.00 41.96 39.66 1m4q s TYR 68 CO -0.20 -0.32 0.97 -0.80 -1.11 0.00 0.00 175.55 174.09 1m4q s ASN 69 N -4.27 7.04 -0.09 2.29 0.01 -1.26 -1.24 114.94 117.42 1m4q s ASN 69 Ca 0.50 -3.11 -0.30 0.00 -0.71 0.00 0.00 52.86 49.25 1m4q s ASN 69 Cb -0.10 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 1m4q s ASN 69 CO 0.34 -0.46 1.30 -0.51 -1.51 0.00 0.00 177.10 176.26 1m4q s ILE 70 N -0.37 4.12 0.48 0.60 1.10 -0.65 -4.67 121.20 121.81 1m4q s ILE 70 Ca 0.25 1.41 -0.19 0.00 -0.51 0.00 0.00 60.65 61.61 1m4q s ILE 70 Cb -0.10 -3.91 -0.09 0.00 0.15 0.00 0.00 42.46 38.52 1m4q s ILE 70 CO -0.08 -0.06 0.98 -2.16 -2.11 0.00 0.00 174.94 171.51 1m4q s PRO 71 N 2.93 3.99 0.32 3.50 0.04 -1.26 -0.24 135.00 144.28 1m4q s PRO 71 Ca 0.58 1.11 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1m4q s PRO 71 Cb -0.25 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 1m4q s PRO 71 CO 0.20 -0.24 0.41 -1.50 0.04 0.00 0.00 177.00 175.92 1m4q s ILE 72 N -2.32 0.00 -0.35 0.56 2.07 -1.00 -3.55 121.20 116.61 1m4q s ILE 72 Ca 0.62 -1.68 0.06 0.00 -1.41 0.00 0.00 60.65 58.24 1m4q s ILE 72 Cb -0.11 -2.57 0.18 0.00 0.13 0.00 0.00 42.46 40.09 1m4q s ILE 72 CO 0.22 0.00 0.56 0.00 -1.91 0.00 0.00 174.94 173.81 1m4q s LEU 74 N 2.22 4.13 -0.40 0.00 2.01 0.25 -0.36 118.68 126.54 1m4q s LEU 74 Ca 0.13 0.19 -0.29 0.00 0.01 0.00 0.00 54.13 54.17 1m4q s LEU 74 Cb -0.08 -2.16 0.02 0.00 0.01 0.00 0.00 46.19 43.98 1m4q s LEU 74 CO -0.16 0.06 1.10 0.26 1.01 0.00 0.00 176.35 178.62 1m4q s TRP 75 N 1.00 2.99 -1.19 0.29 0.52 -1.17 0.11 118.94 121.49 1m4q s TRP 75 Ca 0.09 0.95 -0.11 0.00 0.02 0.00 0.00 56.10 57.05 1m4q s TRP 75 Cb -0.13 -4.04 0.21 0.00 -1.15 0.00 0.00 33.47 28.35 1m4q s TRP 75 CO 0.04 -1.01 1.39 -0.11 0.02 0.00 0.00 176.95 177.29 1m4q n LEU 76 N 7.33 5.52 -4.60 2.99 7.94 -1.16 -4.11 117.00 130.91 1m4q n LEU 76 Ca 0.12 -4.69 -0.30 0.00 -1.11 0.00 0.00 56.01 50.03 1m4q n LEU 76 Cb 0.48 -1.55 0.24 0.00 0.53 0.00 0.00 43.42 43.12 1m4q n LEU 76 CO 0.65 1.02 0.63 -0.22 -1.11 0.00 0.00 177.39 178.36 1m4q s LEU 77 N 0.34 0.71 0.05 -1.96 0.20 -1.26 -4.44 118.68 112.32 1m4q s LEU 77 Ca 0.38 0.62 -0.35 0.00 0.69 0.00 0.00 54.13 55.48 1m4q s LEU 77 Cb -0.03 -2.35 -0.19 0.00 -0.43 0.00 0.00 46.19 43.18 1m4q s LEU 77 CO -0.02 -4.12 1.50 0.44 -0.29 0.00 0.00 176.35 173.86 1m4q h ASP 78 N -2.58 -0.99 0.00 3.68 5.19 -1.95 -3.46 116.42 116.31 1m4q h ASP 78 Ca -0.45 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1m4q h ASP 78 Cb 1.29 0.26 0.00 0.00 0.18 0.00 0.00 39.33 41.06 1m4q h ASP 78 CO 0.34 -0.67 0.00 1.07 -3.12 0.00 0.00 179.24 176.85 1m4q n THR 79 N -5.57 0.00 -3.64 0.35 5.66 -1.26 -4.43 114.28 105.39 1m4q n THR 79 Ca -0.15 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.72 1m4q n THR 79 Cb 0.47 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.17 1m4q n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1m4q s TYR 80 N 0.00 -0.84 -0.01 1.09 1.51 -1.26 -4.75 117.35 113.09 1m4q s TYR 80 Ca 0.00 1.94 -0.02 0.00 -1.01 0.00 0.00 57.07 57.98 1m4q s TYR 80 Cb 0.00 0.35 -0.01 0.00 -0.11 0.00 0.00 41.96 42.19 1m4q s TYR 80 CO 0.00 -0.41 0.36 -1.00 -1.11 0.00 0.00 175.55 173.39 1m4q h PRO 81 N 5.48 -0.07 0.00 -1.71 0.13 -1.99 -3.42 132.00 130.41 1m4q h PRO 81 Ca -0.29 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1m4q h PRO 81 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1m4q h PRO 81 CO 0.08 -0.05 -0.14 -0.92 -0.23 0.00 0.00 178.00 176.74 1m4q h TYR 82 N -0.19 0.00 0.00 1.56 3.20 -2.02 -3.49 116.97 116.03 1m4q h TYR 82 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1m4q h TYR 82 Cb 0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1m4q h TYR 82 CO 0.06 0.00 0.00 -1.71 -1.64 0.00 0.00 178.16 174.87 1m4q n ASN 83 N -3.29 -0.11 -4.61 -2.11 5.15 -1.26 -4.96 115.26 104.07 1m4q n ASN 83 Ca -0.02 0.03 -0.43 0.00 -0.60 0.00 0.00 54.58 53.56 1m4q n ASN 83 Cb 0.07 0.41 -0.03 0.00 -0.53 0.00 0.00 39.78 39.71 1m4q n ASN 83 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1m4q s PRO 84 N -2.00 3.34 0.00 1.20 0.02 -1.26 -4.73 135.00 131.57 1m4q s PRO 84 Ca 0.00 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.79 1m4q s PRO 84 Cb 0.00 -4.25 0.00 0.00 0.02 0.00 0.00 34.50 30.27 1m4q s PRO 84 CO 0.00 -1.85 0.00 -0.35 -0.33 0.00 0.00 177.00 174.47 1m4q n PRO 85 N 8.44 0.70 -0.66 5.54 -0.04 -1.26 -4.53 135.00 143.19 1m4q n PRO 85 Ca 0.25 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.41 1m4q n PRO 85 Cb 0.45 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.11 1m4q n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1m4q s ILE 86 N -0.07 2.09 -0.04 0.52 1.09 -1.26 -4.91 121.20 118.62 1m4q s ILE 86 Ca 0.00 0.03 -0.02 0.00 -1.10 0.00 0.00 60.65 59.56 1m4q s ILE 86 Cb 0.00 -2.08 0.02 0.00 -1.06 0.00 0.00 42.46 39.34 1m4q s ILE 86 CO 0.00 -0.04 0.08 0.00 -0.10 0.00 0.00 174.94 174.88 1m4q s PHE 88 N 0.61 -0.10 0.20 0.00 0.40 0.51 -2.95 117.98 116.65 1m4q s PHE 88 Ca -0.05 0.20 -0.03 0.00 -0.60 0.00 0.00 56.93 56.45 1m4q s PHE 88 Cb -0.07 0.02 -0.05 0.00 0.51 0.00 0.00 43.02 43.44 1m4q s PHE 88 CO -0.02 -0.24 0.43 0.54 0.70 0.00 0.00 175.22 176.62 1m4q s VAL 89 N -0.83 5.14 -0.96 -0.44 0.11 -0.19 0.17 120.40 123.41 1m4q s VAL 89 Ca -0.09 -0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 58.83 1m4q s VAL 89 Cb -0.05 -3.69 0.25 0.00 -1.53 0.00 0.00 36.38 31.37 1m4q s VAL 89 CO 0.02 -0.12 0.99 0.29 -3.33 0.00 0.00 175.10 172.94 1m4q n LYS 90 N -0.42 3.17 -2.62 1.54 4.76 -1.23 -4.68 118.16 118.68 1m4q n LYS 90 Ca -0.03 -4.51 -0.43 0.00 -2.87 0.00 0.00 58.31 50.47 1m4q n LYS 90 Cb 0.53 -2.45 -0.02 0.00 -1.84 0.00 0.00 35.03 31.25 1m4q n LYS 90 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1m4q s PRO 91 N -1.74 4.36 0.84 1.97 0.04 -1.26 -4.63 135.00 134.58 1m4q s PRO 91 Ca 0.30 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 1m4q s PRO 91 Cb -0.03 -3.58 0.10 0.00 0.04 0.00 0.00 34.50 31.02 1m4q s PRO 91 CO -0.06 -0.44 1.20 0.95 0.04 0.00 0.00 177.00 178.68 1m4q s THR 92 N 2.43 2.00 0.24 1.26 -4.23 -1.26 -4.88 115.64 111.20 1m4q s THR 92 Ca 0.49 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.96 1m4q s THR 92 Cb -0.19 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 70.88 1m4q s THR 92 CO 0.16 0.00 1.80 0.28 -0.54 0.00 0.00 174.62 176.32 1m4q h SER 93 N -1.18 0.63 0.34 3.99 0.02 -2.06 0.11 113.55 115.40 1m4q h SER 93 Ca -0.46 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1m4q h SER 93 Cb 1.32 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1m4q h SER 93 CO 0.62 0.36 -0.05 -1.20 -1.14 0.00 0.00 176.83 175.41 1m4q n SER 94 N -4.77 0.28 -4.93 3.07 7.64 -1.26 -4.85 113.62 108.81 1m4q n SER 94 Ca 0.13 -0.56 -0.26 0.00 1.01 0.00 0.00 58.87 59.20 1m4q n SER 94 Cb 0.28 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 1m4q n SER 94 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1m4q s MET 95 N -2.40 3.53 -0.07 1.43 0.00 0.36 -2.85 119.30 119.31 1m4q s MET 95 Ca 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 55.69 55.82 1m4q s MET 95 Cb 0.21 -2.63 0.03 0.00 0.00 0.00 0.00 34.83 32.43 1m4q s MET 95 CO 0.44 0.14 0.01 0.99 0.00 0.00 0.00 175.02 176.60 1m4q s THR 96 N -2.28 0.31 0.23 10.11 2.01 -1.14 -4.67 115.64 120.20 1m4q s THR 96 Ca 0.42 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 1m4q s THR 96 Cb -0.10 -0.48 -0.09 0.00 0.01 0.00 0.00 72.50 71.84 1m4q s THR 96 CO 0.35 0.25 1.25 -0.63 -0.69 0.00 0.00 174.62 175.15 1m4q s ILE 97 N 1.98 3.27 -0.46 1.82 1.01 -1.26 -2.14 121.20 125.42 1m4q s ILE 97 Ca 0.05 1.11 -0.11 0.00 0.00 0.00 0.00 60.65 61.70 1m4q s ILE 97 Cb -0.12 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.73 1m4q s ILE 97 CO -0.05 0.20 0.34 -0.75 0.00 0.00 0.00 174.94 174.68 1m4q s LYS 98 N -0.59 2.69 0.18 2.79 2.36 -0.29 -4.92 119.74 121.97 1m4q s LYS 98 Ca 0.53 -1.56 -0.30 0.00 -2.55 0.00 0.00 55.97 52.09 1m4q s LYS 98 Cb -0.35 -3.96 -0.08 0.00 -1.05 0.00 0.00 37.83 32.39 1m4q s LYS 98 CO 0.40 -1.09 1.30 0.95 1.55 0.00 0.00 175.35 178.47 1m4q s THR 99 N 1.47 3.31 0.00 3.43 -4.23 -1.26 -4.40 115.64 113.96 1m4q s THR 99 Ca 0.04 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 1m4q s THR 99 Cb -0.25 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1m4q s THR 99 CO 0.02 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1m4q n GLY 100 N 2.52 1.38 0.34 3.99 0.00 -0.27 -4.91 105.19 108.24 1m4q n GLY 100 Ca 0.07 -0.80 0.18 0.00 0.00 0.00 0.00 46.02 45.46 1m4q n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m4q h LYS 101 N 0.00 0.00 0.00 1.61 1.79 -1.96 -3.05 116.57 114.96 1m4q h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1m4q h LYS 101 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1m4q h LYS 101 CO 0.00 0.00 -0.77 0.72 -1.08 0.00 0.00 179.45 178.32 1m4q n HIS 102 N -3.50 0.44 -3.01 -1.35 8.25 -1.26 -4.72 115.22 110.07 1m4q n HIS 102 Ca 0.00 0.19 -0.35 0.00 -0.26 0.00 0.00 57.72 57.30 1m4q n HIS 102 Cb 0.31 -0.63 -0.06 0.00 1.12 0.00 0.00 29.99 30.73 1m4q n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4q s VAL 103 N -2.59 4.50 -0.04 1.59 1.01 -1.15 0.12 120.40 123.84 1m4q s VAL 103 Ca -0.22 1.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 1m4q s VAL 103 Cb 0.03 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1m4q s VAL 103 CO 0.33 0.03 -0.05 0.44 0.00 0.00 0.00 175.10 175.86 1m4q h ASP 104 N 2.89 0.00 0.00 3.32 3.32 -1.75 -0.71 116.42 123.50 1m4q h ASP 104 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1m4q h ASP 104 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1m4q h ASP 104 CO 0.65 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 178.37 1m4q n ALA 105 N -2.60 0.00 0.92 3.45 0.00 -1.26 -4.62 120.51 116.40 1m4q n ALA 105 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1m4q n ALA 105 Cb 0.07 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.61 1m4q n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m4q n ASN 106 N 0.00 0.68 0.00 0.00 4.13 -1.26 -4.95 115.26 113.86 1m4q n ASN 106 Ca 0.00 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.77 1m4q n ASN 106 Cb 0.00 0.59 0.00 0.00 -1.54 0.00 0.00 39.78 38.83 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m4q n GLY 107 N 1.48 1.38 3.77 7.41 0.00 -1.26 -4.87 105.19 113.10 1m4q n GLY 107 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1m4q n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m4q s LYS 108 N 0.00 4.21 0.06 1.61 2.20 -1.26 -1.02 119.74 125.54 1m4q s LYS 108 Ca 0.00 2.00 -0.29 0.00 -0.36 0.00 0.00 55.97 57.32 1m4q s LYS 108 Cb 0.00 -2.88 -0.05 0.00 -1.51 0.00 0.00 37.83 33.39 1m4q s LYS 108 CO 0.00 -0.23 0.91 0.42 -0.36 0.00 0.00 175.35 176.09 1m4q s ILE 109 N -1.27 4.67 -1.07 5.43 1.01 -1.15 -2.99 121.20 125.83 1m4q s ILE 109 Ca 0.53 1.94 -0.02 0.00 0.00 0.00 0.00 60.65 63.10 1m4q s ILE 109 Cb -0.35 -4.26 0.30 0.00 0.01 0.00 0.00 42.46 38.16 1m4q s ILE 109 CO 0.45 0.28 1.88 0.00 0.00 0.00 0.00 174.94 177.55 1m4q n TYR 110 N 3.13 2.73 -5.10 3.97 9.36 0.32 -4.91 117.16 126.66 1m4q n TYR 110 Ca 0.02 -2.59 -0.29 0.00 3.32 0.00 0.00 57.90 58.36 1m4q n TYR 110 Cb 0.50 -1.27 -0.16 0.00 -0.63 0.00 0.00 39.34 37.77 1m4q n TYR 110 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1m4q s LEU 111 N -4.02 2.02 -0.86 2.98 1.43 -1.26 -4.67 118.68 114.29 1m4q s LEU 111 Ca 0.40 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1m4q s LEU 111 Cb 0.18 -1.19 -0.17 0.00 0.03 0.00 0.00 46.19 45.04 1m4q s LEU 111 CO -0.12 0.23 3.27 -0.81 0.23 0.00 0.00 176.35 179.16 1m4q n PRO 112 N 2.85 2.92 -0.15 1.29 -0.04 -1.26 -4.69 135.00 135.90 1m4q n PRO 112 Ca -0.17 -1.66 -0.05 0.00 -0.04 0.00 0.00 63.50 61.59 1m4q n PRO 112 Cb 0.52 -2.42 0.02 0.00 -0.04 0.00 0.00 33.50 31.58 1m4q n PRO 112 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4q h TYR 113 N 4.06 -0.62 -0.07 0.54 0.05 -1.97 1.00 116.97 119.96 1m4q h TYR 113 Ca 0.56 0.06 -0.08 0.00 0.05 0.00 0.00 58.73 59.31 1m4q h TYR 113 Cb 0.86 0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1m4q h TYR 113 CO 1.84 -0.32 -0.27 1.25 -1.05 0.00 0.00 178.16 179.61 1m4q h LEU 114 N -0.13 0.36 -2.23 3.88 7.12 -1.90 -1.26 115.31 121.14 1m4q h LEU 114 Ca 0.22 -0.64 -0.01 0.00 0.13 0.00 0.00 57.88 57.59 1m4q h LEU 114 Cb 0.49 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1m4q h LEU 114 CO -0.57 0.93 -0.06 -0.74 -0.13 0.00 0.00 178.44 177.88 1m4q h HIS 115 N -0.20 0.00 0.00 1.25 2.76 -1.80 -3.35 115.15 113.81 1m4q h HIS 115 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1m4q h HIS 115 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1m4q h HIS 115 CO 0.13 0.06 0.00 -1.91 -1.30 0.00 0.00 177.93 174.91 1m4q n GLU 116 N -3.56 0.00 0.00 5.26 2.13 0.34 -5.00 120.64 119.81 1m4q n GLU 116 Ca -0.02 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1m4q n GLU 116 Cb 0.17 -0.40 0.00 0.00 0.27 0.00 0.00 31.44 31.48 1m4q n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4q n TRP 117 N -1.87 0.00 -3.16 4.31 -0.00 -0.48 -4.92 117.44 111.31 1m4q n TRP 117 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.36 1m4q n TRP 117 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.38 1m4q n TRP 117 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1m4q n LYS 118 N 0.00 -4.06 0.02 5.87 0.00 -1.25 -4.90 118.16 113.84 1m4q n LYS 118 Ca 0.00 0.76 -0.16 0.00 0.00 0.00 0.00 58.31 58.91 1m4q n LYS 118 Cb 0.00 -5.41 -0.06 0.00 0.00 0.00 0.00 35.03 29.56 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1m4q h HIS 119 N -1.34 0.91 0.35 5.64 2.76 -1.93 -3.47 115.15 118.07 1m4q h HIS 119 Ca -0.53 -0.44 -0.02 0.00 -2.20 0.00 0.00 60.37 57.19 1m4q h HIS 119 Cb 1.29 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1m4q h HIS 119 CO 0.33 1.26 -0.17 -1.35 -1.30 0.00 0.00 177.93 176.70 1m4q h PRO 120 N 0.42 -0.45 0.00 5.26 0.11 -2.03 -3.50 132.00 131.81 1m4q h PRO 120 Ca -0.07 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1m4q h PRO 120 Cb 1.48 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.69 1m4q h PRO 120 CO 0.17 -0.30 0.00 0.94 -0.21 0.00 0.00 178.00 178.60 1m4q n GLN 121 N -4.31 0.00 -2.21 1.05 0.00 -1.26 -4.91 117.38 105.74 1m4q n GLN 121 Ca -0.06 0.00 -0.28 0.00 -0.00 0.00 0.00 57.00 56.67 1m4q n GLN 121 Cb 0.18 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.47 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1m4q s SER 122 N 0.00 5.43 0.41 1.69 0.15 -1.26 -5.10 113.70 115.02 1m4q s SER 122 Ca 0.00 0.82 0.05 0.00 0.70 0.00 0.00 55.95 57.51 1m4q s SER 122 Cb 0.00 -1.70 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1m4q s SER 122 CO 0.00 -1.23 0.17 -0.67 1.20 0.00 0.00 173.24 172.71 1m4q n ASP 123 N -2.77 0.93 -0.34 5.45 2.03 -1.26 -4.96 116.55 115.62 1m4q n ASP 123 Ca 0.06 -3.23 0.22 0.00 0.52 0.00 0.00 54.79 52.36 1m4q n ASP 123 Cb 0.58 1.16 0.45 0.00 -0.72 0.00 0.00 41.12 42.60 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1m4q h LEU 124 N 0.00 0.56 -0.34 -2.67 5.85 -1.95 0.35 115.31 117.10 1m4q h LEU 124 Ca -0.31 0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 1m4q h LEU 124 Cb 1.24 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1m4q h LEU 124 CO 0.49 -0.03 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.30 1m4q h LEU 125 N 0.41 0.75 -1.35 2.25 4.07 -1.96 -3.04 115.31 116.45 1m4q h LEU 125 Ca 0.70 -0.42 -0.06 0.00 0.08 0.00 0.00 57.88 58.17 1m4q h LEU 125 Cb 1.54 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 1m4q h LEU 125 CO -0.52 1.01 -0.26 1.23 -1.08 0.00 0.00 178.44 178.81 1m4q h GLY 126 N 0.50 0.10 0.73 0.83 0.00 -0.79 -2.83 103.07 101.62 1m4q h GLY 126 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1m4q h GLY 126 CO 0.05 0.06 -0.47 -2.00 0.00 0.00 0.00 176.54 174.19 1m4q h LEU 127 N 0.08 -1.19 -1.83 3.11 6.46 -0.83 -2.46 115.31 118.66 1m4q h LEU 127 Ca 0.01 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1m4q h LEU 127 Cb 0.52 0.35 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1m4q h LEU 127 CO 0.04 -0.71 0.25 0.40 -0.62 0.00 0.00 178.44 177.80 1m4q h ILE 128 N -1.13 0.92 -0.95 4.05 5.03 -1.56 -1.46 117.51 122.41 1m4q h ILE 128 Ca -0.10 -0.07 0.06 0.00 -0.12 0.00 0.00 64.86 64.63 1m4q h ILE 128 Cb 0.91 0.69 -0.06 0.00 -3.03 0.00 0.00 36.82 35.33 1m4q h ILE 128 CO 0.09 0.04 0.61 -0.61 -0.68 0.00 0.00 178.15 177.60 1m4q h GLN 129 N 0.21 1.10 -0.07 2.37 -0.00 -1.19 0.59 115.11 118.12 1m4q h GLN 129 Ca 0.17 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 1m4q h GLN 129 Cb 0.40 -0.25 -0.00 0.00 0.00 0.00 0.00 27.48 27.63 1m4q h GLN 129 CO -0.03 0.73 0.02 0.28 0.00 0.00 0.00 178.83 179.83 1m4q h VAL 130 N 1.13 1.18 -0.92 2.39 2.07 -0.89 0.75 116.25 121.97 1m4q h VAL 130 Ca 0.40 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1m4q h VAL 130 Cb 0.13 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1m4q h VAL 130 CO -0.16 0.16 0.60 0.24 0.02 0.00 0.00 177.57 178.43 1m4q h MET 131 N -0.10 1.11 -0.52 1.57 2.86 -1.37 0.33 114.93 118.81 1m4q h MET 131 Ca 0.02 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1m4q h MET 131 Cb 0.23 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1m4q h MET 131 CO -0.00 0.73 0.05 0.82 1.06 0.00 0.00 176.91 179.58 1m4q h ILE 132 N 1.14 1.26 0.14 -1.22 2.04 -0.61 0.36 117.51 120.62 1m4q h ILE 132 Ca 0.36 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1m4q h ILE 132 Cb 0.02 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1m4q h ILE 132 CO -0.11 0.36 -0.07 0.58 0.00 0.00 0.00 178.15 178.91 1m4q h VAL 133 N 0.76 1.00 0.12 1.67 2.07 0.12 -0.15 116.25 121.84 1m4q h VAL 133 Ca 0.15 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1m4q h VAL 133 Cb 0.45 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1m4q h VAL 133 CO 0.02 0.16 -0.07 0.58 0.02 0.00 0.00 177.57 178.27 1m4q h VAL 134 N -0.52 0.84 0.00 2.57 2.07 -0.34 -1.64 116.25 119.23 1m4q h VAL 134 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1m4q h VAL 134 Cb 0.41 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1m4q h VAL 134 CO 0.03 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.11 1m4q n PHE 135 N -5.18 0.77 -0.08 1.57 3.72 0.13 -1.38 117.46 117.00 1m4q n PHE 135 Ca -0.08 0.33 0.06 0.00 -0.05 0.00 0.00 57.45 57.71 1m4q n PHE 135 Cb 0.11 -1.04 0.40 0.00 -0.94 0.00 0.00 39.48 38.02 1m4q n PHE 135 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1m4q h GLY 136 N 1.48 0.72 0.00 1.37 0.00 0.00 -3.31 103.07 103.34 1m4q h GLY 136 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1m4q h GLY 136 CO 0.00 0.21 -1.40 1.22 0.00 0.00 0.00 176.54 176.57 1m4q n ASP 137 N -4.47 3.46 -4.52 0.19 9.92 -1.08 -4.07 116.55 115.98 1m4q n ASP 137 Ca 0.07 -0.04 -0.43 0.00 -0.53 0.00 0.00 54.79 53.86 1m4q n ASP 137 Cb 0.16 -0.09 -0.04 0.00 -0.64 0.00 0.00 41.12 40.51 1m4q n ASP 137 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1m4q s GLU 138 N -2.14 3.34 -0.27 -1.24 2.56 -0.48 -5.00 118.70 115.47 1m4q s GLU 138 Ca -0.09 -0.25 -0.28 0.00 0.00 0.00 0.00 54.97 54.34 1m4q s GLU 138 Cb 0.02 -4.03 -0.03 0.00 2.00 0.00 0.00 34.13 32.09 1m4q s GLU 138 CO 0.16 -1.40 1.95 -1.25 -0.56 0.00 0.00 175.26 174.16 1m4q s PRO 139 N 3.76 3.32 0.06 4.30 0.04 -1.26 -4.15 135.00 141.06 1m4q s PRO 139 Ca 0.30 1.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.98 1m4q s PRO 139 Cb -0.13 -4.25 -0.30 0.00 0.04 0.00 0.00 34.50 29.87 1m4q s PRO 139 CO 0.20 -1.88 1.08 -1.00 0.04 0.00 0.00 177.00 175.44 1m4q h PRO 140 N 13.47 0.31 -1.35 0.56 0.13 -1.88 -3.44 132.00 139.80 1m4q h PRO 140 Ca -0.37 -0.54 -0.19 0.00 -0.87 0.00 0.00 66.00 64.03 1m4q h PRO 140 Cb 1.20 0.20 -0.23 0.00 0.13 0.00 0.00 31.00 32.29 1m4q h PRO 140 CO 1.00 1.24 -0.55 0.54 -0.23 0.00 0.00 178.00 180.00 1m4q s VAL 141 N -2.64 -0.73 -0.03 1.56 0.11 -1.26 -1.13 120.40 116.27 1m4q s VAL 141 Ca -0.05 -0.60 -0.23 0.00 -2.93 0.00 0.00 61.98 58.17 1m4q s VAL 141 Cb 0.07 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1m4q s VAL 141 CO 0.89 -0.24 0.68 0.72 -3.33 0.00 0.00 175.10 173.82 1m4q s PHE 142 N 1.46 3.63 0.60 1.54 -0.71 -0.91 -4.65 117.98 118.95 1m4q s PHE 142 Ca 0.19 1.27 -0.04 0.00 -1.04 0.00 0.00 56.93 57.32 1m4q s PHE 142 Cb -0.06 -2.75 0.03 0.00 -1.21 0.00 0.00 43.02 39.02 1m4q s PHE 142 CO -0.06 0.19 0.88 0.45 -1.34 0.00 0.00 175.22 175.34 1m4q s SER 143 N 0.39 5.31 0.46 1.98 0.15 -1.26 -2.90 113.70 117.82 1m4q s SER 143 Ca 0.36 0.41 -0.21 0.00 0.70 0.00 0.00 55.95 57.21 1m4q s SER 143 Cb -0.18 -1.31 -0.09 0.00 -1.71 0.00 0.00 66.02 62.73 1m4q s SER 143 CO 0.19 -1.20 1.03 0.00 1.20 0.00 0.00 173.24 174.46 1m4q s ARG 144 N -4.96 3.93 0.00 5.44 1.70 -1.13 -4.89 118.95 119.04 1m4q s ARG 144 Ca 0.56 1.36 0.16 0.00 -0.47 0.00 0.00 55.73 57.34 1m4q s ARG 144 Cb -0.10 -2.20 0.95 0.00 -0.57 0.00 0.00 34.95 33.02 1m4q s ARG 144 CO 0.42 -0.32 1.36 -0.35 -1.08 0.00 0.00 175.30 175.34