#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4q h VAL 3 N 0.00 0.00 0.00 0.00 3.04 -2.03 -3.20 116.25 114.06 1m4q h VAL 3 Ca 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 1m4q h VAL 3 Cb 0.00 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1m4q h VAL 3 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 1m4q n SER 4 N -2.93 0.42 -0.21 3.17 7.64 -1.26 -3.71 113.62 116.74 1m4q n SER 4 Ca 0.04 0.55 0.01 0.00 1.01 0.00 0.00 58.87 60.47 1m4q n SER 4 Cb 0.52 -0.66 0.12 0.00 -1.01 0.00 0.00 64.21 63.18 1m4q n SER 4 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1m4q h GLU 5 N 0.00 0.32 -0.36 1.43 4.81 -1.99 0.78 114.58 119.58 1m4q h GLU 5 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1m4q h GLU 5 Cb 0.57 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1m4q h GLU 5 CO 0.00 0.21 0.22 0.77 -0.73 0.00 0.00 179.01 179.48 1m4q h SER 6 N 0.33 0.44 0.86 1.04 0.02 -1.82 -2.21 113.55 112.21 1m4q h SER 6 Ca 0.32 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1m4q h SER 6 Cb 0.45 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1m4q h SER 6 CO -0.37 0.37 -0.23 -0.61 -1.14 0.00 0.00 176.83 174.85 1m4q h GLN 7 N 0.47 0.00 -0.24 3.45 4.15 -1.45 -3.17 115.11 118.33 1m4q h GLN 7 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.57 1m4q h GLN 7 Cb 0.01 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1m4q h GLN 7 CO -0.02 0.23 0.10 1.25 -1.93 0.00 0.00 178.83 178.46 1m4q h LEU 8 N 0.00 0.13 -0.73 -2.39 5.85 0.12 0.17 115.31 118.46 1m4q h LEU 8 Ca -0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.86 1m4q h LEU 8 Cb 0.73 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.66 1m4q h LEU 8 CO 0.03 0.11 0.30 0.50 -0.34 0.00 0.00 178.44 179.04 1m4q h LYS 9 N 0.22 0.45 0.00 1.25 3.64 -1.51 0.16 116.57 120.78 1m4q h LYS 9 Ca 0.10 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1m4q h LYS 9 Cb 0.05 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1m4q h LYS 9 CO -0.09 0.30 -0.10 0.87 -2.27 0.00 0.00 179.45 178.16 1m4q h LYS 10 N 0.46 0.00 0.00 1.90 1.57 -1.57 -3.14 116.57 115.79 1m4q h LYS 10 Ca 0.39 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 1m4q h LYS 10 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1m4q h LYS 10 CO -0.38 0.10 -0.10 0.00 -0.57 0.00 0.00 179.45 178.51 1m4q h MET 11 N 0.00 0.00 0.00 3.15 -0.00 0.14 -3.37 114.93 114.85 1m4q h MET 11 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1m4q h MET 11 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.42 1m4q h MET 11 CO 0.01 0.10 0.00 1.33 -0.00 0.00 0.00 176.91 178.35 1m4q n VAL 12 N -3.78 0.00 -2.34 -0.10 0.24 -1.17 -4.94 118.33 106.24 1m4q n VAL 12 Ca -0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 1m4q n VAL 12 Cb 0.20 -0.97 -0.01 0.00 -1.47 0.00 0.00 33.84 31.59 1m4q n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4q n SER 13 N -1.46 -3.44 -2.86 -1.34 2.88 -1.22 -4.84 113.62 101.33 1m4q n SER 13 Ca 0.00 0.24 -0.09 0.00 -1.33 0.00 0.00 58.87 57.69 1m4q n SER 13 Cb 0.00 -2.98 0.00 0.00 -0.75 0.00 0.00 64.21 60.48 1m4q n SER 13 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1m4q n LYS 14 N -2.67 0.55 -3.56 -1.46 4.81 -1.26 -5.09 118.16 109.49 1m4q n LYS 14 Ca -0.12 -2.18 -0.09 0.00 -0.87 0.00 0.00 58.31 55.05 1m4q n LYS 14 Cb 0.57 -1.48 -0.02 0.00 0.02 0.00 0.00 35.03 34.12 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1m4q s TYR 15 N 0.62 -0.37 0.43 5.64 2.02 -1.26 -4.96 117.35 119.48 1m4q s TYR 15 Ca 0.31 0.13 0.10 0.00 -0.37 0.00 0.00 57.07 57.24 1m4q s TYR 15 Cb 0.07 0.59 0.95 0.00 -0.40 0.00 0.00 41.96 43.17 1m4q s TYR 15 CO -0.12 -0.81 2.06 -0.22 -1.57 0.00 0.00 175.55 174.89 1m4q h LYS 16 N 2.00 0.43 -2.10 -0.62 3.64 -1.98 -3.27 116.57 114.68 1m4q h LYS 16 Ca -0.26 -0.03 -0.57 0.00 -1.27 0.00 0.00 60.65 58.52 1m4q h LYS 16 Cb 1.27 -0.10 -0.39 0.00 -0.41 0.00 0.00 32.23 32.60 1m4q h LYS 16 CO 0.32 0.28 -1.07 0.66 -2.27 0.00 0.00 179.45 177.37 1m4q n TYR 17 N -4.48 -0.42 -0.11 1.91 4.01 -1.26 -5.00 117.16 111.81 1m4q n TYR 17 Ca 0.03 -3.51 -0.09 0.00 -0.16 0.00 0.00 57.90 54.17 1m4q n TYR 17 Cb 0.12 -0.20 -0.04 0.00 -0.31 0.00 0.00 39.34 38.91 1m4q n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1m4q h ARG 18 N 4.41 -0.31 0.16 -0.72 2.43 -1.94 1.26 114.38 119.68 1m4q h ARG 18 Ca 0.12 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1m4q h ARG 18 Cb 0.88 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1m4q h ARG 18 CO 0.45 -0.21 -0.12 0.38 -1.51 0.00 0.00 179.97 178.95 1m4q h ASP 19 N -0.32 -0.32 0.32 -3.80 2.03 -1.94 0.53 116.42 112.91 1m4q h ASP 19 Ca 0.14 0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.44 1m4q h ASP 19 Cb 0.57 0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1m4q h ASP 19 CO -0.54 -0.20 -0.13 0.25 -1.03 0.00 0.00 179.24 177.59 1m4q h LEU 20 N -0.29 0.00 0.13 0.15 5.85 -1.83 -0.44 115.31 118.88 1m4q h LEU 20 Ca -0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 1m4q h LEU 20 Cb 0.26 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.31 1m4q h LEU 20 CO -0.01 0.13 -0.96 0.74 -0.34 0.00 0.00 178.44 178.00 1m4q h THR 21 N 0.00 1.39 -0.55 1.05 2.02 0.22 -3.19 112.91 113.85 1m4q h THR 21 Ca -0.00 -2.50 -0.07 0.00 0.77 0.00 0.00 66.41 64.61 1m4q h THR 21 Cb 0.33 3.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.79 1m4q h THR 21 CO 0.02 0.71 0.06 0.58 0.37 0.00 0.00 175.52 177.26 1m4q h VAL 22 N -0.37 1.25 -0.76 3.16 2.07 0.26 -2.31 116.25 119.55 1m4q h VAL 22 Ca -0.18 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.38 1m4q h VAL 22 Cb 1.66 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1m4q h VAL 22 CO 0.12 0.36 0.49 -0.09 0.02 0.00 0.00 177.57 178.47 1m4q h ARG 23 N 0.85 0.96 -0.48 1.57 2.43 -1.19 0.05 114.38 118.57 1m4q h ARG 23 Ca 0.17 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1m4q h ARG 23 Cb 0.41 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1m4q h ARG 23 CO 0.01 0.64 0.14 0.93 -1.51 0.00 0.00 179.97 180.18 1m4q h GLU 24 N 0.99 0.75 0.75 0.20 5.08 -1.47 -1.31 114.58 119.58 1m4q h GLU 24 Ca 0.29 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1m4q h GLU 24 Cb -0.07 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.08 1m4q h GLU 24 CO -0.08 0.72 -0.36 1.15 -1.00 0.00 0.00 179.01 179.44 1m4q h THR 25 N 0.64 0.24 -0.90 1.13 2.02 -0.90 -2.50 112.91 112.64 1m4q h THR 25 Ca 0.15 -0.05 0.13 0.00 0.77 0.00 0.00 66.41 67.41 1m4q h THR 25 Cb 0.29 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 66.87 1m4q h THR 25 CO -0.00 0.01 0.52 -0.37 0.37 0.00 0.00 175.52 176.04 1m4q h VAL 26 N -1.05 0.83 -0.64 3.16 -1.51 -1.00 -1.34 116.25 114.70 1m4q h VAL 26 Ca -0.10 -0.27 0.07 0.00 -1.23 0.00 0.00 66.70 65.16 1m4q h VAL 26 Cb 0.78 -0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.85 1m4q h VAL 26 CO 0.17 0.14 0.33 -1.13 -1.23 0.00 0.00 177.57 175.85 1m4q h ASN 27 N 0.79 0.46 -0.21 4.19 -0.73 -1.07 1.00 115.58 120.01 1m4q h ASN 27 Ca 0.47 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.67 1m4q h ASN 27 Cb 0.56 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 1m4q h ASN 27 CO -0.31 0.29 0.08 0.58 -0.37 0.00 0.00 177.43 177.70 1m4q h VAL 28 N 0.60 1.17 -0.00 2.57 2.07 -0.81 -2.12 116.25 119.72 1m4q h VAL 28 Ca 0.30 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 67.18 1m4q h VAL 28 Cb 0.24 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1m4q h VAL 28 CO -0.21 0.16 -0.65 0.16 0.02 0.00 0.00 177.57 177.05 1m4q h ILE 29 N 0.18 1.47 0.00 4.57 3.07 -1.00 -1.69 117.51 124.10 1m4q h ILE 29 Ca 0.07 -2.22 -0.07 0.00 1.55 0.00 0.00 64.86 64.19 1m4q h ILE 29 Cb 0.18 2.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.92 1m4q h ILE 29 CO -0.01 0.64 -0.32 0.74 -1.05 0.00 0.00 178.15 178.15 1m4q h THR 30 N 0.01 1.03 0.07 0.16 2.02 0.12 1.00 112.91 117.33 1m4q h THR 30 Ca -0.01 -1.18 -0.29 0.00 0.77 0.00 0.00 66.41 65.70 1m4q h THR 30 Cb 1.15 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 1m4q h THR 30 CO 0.09 0.31 -1.56 0.25 0.37 0.00 0.00 175.52 174.98 1m4q h LEU 31 N 0.00 0.24 0.00 2.58 5.85 -1.26 -3.40 115.31 119.33 1m4q h LEU 31 Ca -0.00 -0.76 -0.00 0.00 0.84 0.00 0.00 57.88 57.96 1m4q h LEU 31 Cb 0.65 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1m4q h LEU 31 CO 0.04 1.66 -0.00 1.88 -0.34 0.00 0.00 178.44 181.68 1m4q h TYR 32 N -0.44 -0.00 0.00 1.25 0.05 -1.31 -3.48 116.97 113.05 1m4q h TYR 32 Ca -0.36 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1m4q h TYR 32 Cb 1.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.42 1m4q h TYR 32 CO 0.10 0.95 0.00 0.36 -1.05 0.00 0.00 178.16 178.52 1m4q n LYS 33 N -4.63 -0.46 -0.00 4.88 -0.00 0.35 -4.78 118.16 113.51 1m4q n LYS 33 Ca -0.10 0.12 0.02 0.00 -0.00 0.00 0.00 58.31 58.35 1m4q n LYS 33 Cb 0.46 -3.52 -0.02 0.00 -0.00 0.00 0.00 35.03 31.94 1m4q n LYS 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1m4q n ASP 34 N -0.23 4.08 -4.54 -5.58 9.92 -1.26 -4.95 116.55 113.98 1m4q n ASP 34 Ca 0.00 -0.02 -0.43 0.00 -0.53 0.00 0.00 54.79 53.81 1m4q n ASP 34 Cb 0.12 1.14 -0.04 0.00 -0.64 0.00 0.00 41.12 41.69 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1m4q s LEU 35 N -3.18 4.09 -0.22 0.64 2.96 -1.26 -3.66 118.68 118.06 1m4q s LEU 35 Ca -0.01 -0.15 -0.18 0.00 -0.22 0.00 0.00 54.13 53.56 1m4q s LEU 35 Cb 0.02 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 1m4q s LEU 35 CO 0.13 -1.12 0.52 -0.54 -1.32 0.00 0.00 176.35 174.03 1m4q s LYS 36 N 3.78 4.15 0.03 1.98 1.02 0.35 -4.67 119.74 126.38 1m4q s LYS 36 Ca 0.33 0.39 -0.30 0.00 0.02 0.00 0.00 55.97 56.40 1m4q s LYS 36 Cb -0.12 -3.59 -0.08 0.00 -0.52 0.00 0.00 37.83 33.53 1m4q s LYS 36 CO 0.22 -0.22 1.70 -1.25 -0.92 0.00 0.00 175.35 174.89 1m4q s PRO 37 N 1.86 4.18 0.01 -1.68 0.04 -1.26 -2.14 135.00 136.01 1m4q s PRO 37 Ca 0.23 2.34 0.04 0.00 0.04 0.00 0.00 61.00 63.66 1m4q s PRO 37 Cb -0.15 -3.78 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 1m4q s PRO 37 CO 0.09 -0.80 -0.11 0.54 0.04 0.00 0.00 177.00 176.77 1m4q s VAL 38 N 3.26 3.35 0.33 -0.36 0.11 0.22 -4.95 120.40 122.37 1m4q s VAL 38 Ca 0.76 -0.89 -0.03 0.00 -2.93 0.00 0.00 61.98 58.89 1m4q s VAL 38 Cb -0.39 -2.43 -0.04 0.00 -1.53 0.00 0.00 36.38 31.99 1m4q s VAL 38 CO 0.33 0.39 0.58 -0.22 -3.33 0.00 0.00 175.10 172.85 1m4q s LEU 39 N -1.37 3.99 0.14 2.54 1.98 -1.26 0.57 118.68 125.27 1m4q s LEU 39 Ca 0.16 0.63 -0.22 0.00 -2.89 0.00 0.00 54.13 51.81 1m4q s LEU 39 Cb -0.11 -3.48 0.06 0.00 0.66 0.00 0.00 46.19 43.32 1m4q s LEU 39 CO 0.06 -0.28 0.56 -0.62 -1.89 0.00 0.00 176.35 174.18 1m4q s ASP 40 N -3.61 -0.50 -0.30 3.68 -1.08 -0.74 -4.82 116.67 109.31 1m4q s ASP 40 Ca 0.43 -0.03 -0.12 0.00 -0.52 0.00 0.00 52.55 52.30 1m4q s ASP 40 Cb -0.10 0.57 0.14 0.00 -1.46 0.00 0.00 42.92 42.07 1m4q s ASP 40 CO 0.34 -0.92 0.79 -0.55 0.52 0.00 0.00 175.17 175.35 1m4q s SER 41 N -2.67 -0.91 0.19 -0.34 0.15 -1.26 -0.54 113.70 108.32 1m4q s SER 41 Ca 0.01 1.26 -0.00 0.00 0.70 0.00 0.00 55.95 57.92 1m4q s SER 41 Cb -0.00 2.00 -0.04 0.00 -1.71 0.00 0.00 66.02 66.26 1m4q s SER 41 CO -0.11 -0.18 0.09 -0.47 1.20 0.00 0.00 173.24 173.77 1m4q s TYR 42 N 2.64 1.16 0.26 3.44 5.04 -1.18 -4.80 117.35 123.91 1m4q s TYR 42 Ca -0.05 -1.27 -0.18 0.00 -2.44 0.00 0.00 57.07 53.14 1m4q s TYR 42 Cb -0.09 -0.62 -0.09 0.00 0.35 0.00 0.00 41.96 41.52 1m4q s TYR 42 CO -0.18 -0.51 0.73 0.14 -1.34 0.00 0.00 175.55 174.39 1m4q s VAL 43 N -4.00 4.62 0.10 3.14 -7.23 -1.26 -0.40 120.40 115.37 1m4q s VAL 43 Ca 0.33 1.14 0.00 0.00 -1.81 0.00 0.00 61.98 61.64 1m4q s VAL 43 Cb 0.07 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.26 1m4q s VAL 43 CO 0.09 0.04 0.00 0.49 -0.31 0.00 0.00 175.10 175.41 1m4q n PHE 44 N 0.27 -1.58 -1.51 2.82 3.72 -1.06 -4.73 117.46 115.39 1m4q n PHE 44 Ca 0.00 0.25 -0.13 0.00 -0.05 0.00 0.00 57.45 57.52 1m4q n PHE 44 Cb 0.52 0.88 -0.10 0.00 -0.94 0.00 0.00 39.48 39.84 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 -2.78 0.98 -1.88 4.37 3.02 -1.26 -3.00 115.26 114.71 1m4q n ASN 45 Ca 0.00 -1.92 -0.13 0.00 -0.03 0.00 0.00 54.58 52.51 1m4q n ASN 45 Cb 0.00 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 37.61 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 17.19 -3.64 -0.21 6.41 8.00 -1.26 -3.47 116.55 139.57 1m4q n ASP 46 Ca 0.41 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1m4q n ASP 46 Cb 0.44 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 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 0.60 3.17 0.44 0.00 -1.16 -5.13 105.19 102.59 1m4q n GLY 47 Ca -0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 1m4q n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m4q s SER 48 N -1.16 -0.79 0.45 1.61 0.01 -1.23 -4.85 113.70 107.73 1m4q s SER 48 Ca 0.00 0.81 -0.23 0.00 1.31 0.00 0.00 55.95 57.84 1m4q s SER 48 Cb 0.00 1.82 -0.10 0.00 0.21 0.00 0.00 66.02 67.95 1m4q s SER 48 CO 0.00 -0.26 0.89 -1.54 0.41 0.00 0.00 173.24 172.74 1m4q n SER 49 N 5.41 0.66 -3.80 2.44 3.41 -1.25 -2.55 113.62 117.94 1m4q n SER 49 Ca -0.04 0.97 -0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1m4q n SER 49 Cb 0.50 -1.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.02 1m4q n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1m4q s ARG 50 N -2.01 0.10 -0.10 4.33 3.52 0.46 -4.87 118.95 120.38 1m4q s ARG 50 Ca 0.65 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 56.17 1m4q s ARG 50 Cb -0.55 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 32.76 1m4q s ARG 50 CO 0.56 -0.07 1.58 -1.21 -0.81 0.00 0.00 175.30 175.34 1m4q s GLU 51 N 0.48 4.14 -0.18 5.12 8.01 -1.26 -3.09 118.70 131.93 1m4q s GLU 51 Ca -0.04 2.03 -0.04 0.00 0.01 0.00 0.00 54.97 56.93 1m4q s GLU 51 Cb -0.05 -3.95 0.08 0.00 -4.31 0.00 0.00 34.13 25.89 1m4q s GLU 51 CO -0.02 -0.88 0.16 -0.51 0.01 0.00 0.00 175.26 174.02 1m4q s LEU 52 N 4.10 0.08 0.63 1.80 1.43 0.30 -4.99 118.68 122.01 1m4q s LEU 52 Ca 0.70 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.37 1m4q s LEU 52 Cb -0.30 0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 1m4q s LEU 52 CO 0.27 -0.33 1.03 -0.32 0.23 0.00 0.00 176.35 177.23 1m4q s MET 53 N 2.25 3.48 0.07 1.70 1.75 -1.26 -1.79 119.30 125.49 1m4q s MET 53 Ca 0.05 0.68 -0.13 0.00 -1.25 0.00 0.00 55.69 55.04 1m4q s MET 53 Cb -0.15 -2.08 0.02 0.00 2.84 0.00 0.00 34.83 35.45 1m4q s MET 53 CO -0.10 -0.63 0.28 0.54 -0.65 0.00 0.00 175.02 174.46 1m4q s ASN 54 N -4.21 -0.07 -0.12 1.11 4.22 0.19 -2.17 114.94 113.89 1m4q s ASN 54 Ca 0.55 -0.35 -0.06 0.00 -2.14 0.00 0.00 52.86 50.86 1m4q s ASN 54 Cb -0.11 0.37 -0.04 0.00 1.28 0.00 0.00 41.25 42.75 1m4q s ASN 54 CO 0.53 -0.69 0.11 -0.76 -2.04 0.00 0.00 177.10 174.25 1m4q s LEU 55 N -2.41 4.18 -0.09 3.54 2.01 -0.30 0.71 118.68 126.32 1m4q s LEU 55 Ca -0.01 0.37 -0.07 0.00 0.01 0.00 0.00 54.13 54.43 1m4q s LEU 55 Cb 0.01 -2.01 0.03 0.00 0.01 0.00 0.00 46.19 44.22 1m4q s LEU 55 CO -0.07 0.37 0.22 0.28 1.01 0.00 0.00 176.35 178.17 1m4q s THR 56 N -0.83 -0.01 0.00 5.49 -1.32 -0.91 -2.29 115.64 115.78 1m4q s THR 56 Ca 0.13 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1m4q s THR 56 Cb -0.12 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 1m4q s THR 56 CO 0.03 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1m4q n GLY 57 N 3.19 2.42 3.68 6.08 0.00 -1.07 0.13 105.19 119.62 1m4q n GLY 57 Ca -0.15 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.00 5.17 -0.10 2.61 -4.23 -1.24 -1.87 115.64 113.98 1m4q s THR 58 Ca 0.00 0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 61.23 1m4q s THR 58 Cb 0.00 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 1m4q s THR 58 CO 0.00 0.25 0.29 -0.63 -0.54 0.00 0.00 174.62 173.98 1m4q s ILE 59 N 1.23 5.27 -0.21 2.99 1.01 -0.21 -4.54 121.20 126.74 1m4q s ILE 59 Ca 0.22 0.54 -0.29 0.00 0.00 0.00 0.00 60.65 61.13 1m4q s ILE 59 Cb -0.15 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1m4q s ILE 59 CO 0.09 0.51 1.61 -2.16 0.00 0.00 0.00 174.94 174.98 1m4q s PRO 60 N -0.39 3.82 -0.12 2.79 0.04 -1.26 -2.50 135.00 137.38 1m4q s PRO 60 Ca 0.18 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 1m4q s PRO 60 Cb -0.14 -4.03 0.03 0.00 0.04 0.00 0.00 34.50 30.41 1m4q s PRO 60 CO 0.07 -1.26 -0.06 0.08 0.04 0.00 0.00 177.00 175.87 1m4q s VAL 61 N 5.10 0.94 0.14 -0.36 1.01 -1.00 -4.94 120.40 121.29 1m4q s VAL 61 Ca 0.71 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.06 1m4q s VAL 61 Cb -0.25 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 1m4q s VAL 61 CO 0.29 0.28 1.44 -2.16 0.00 0.00 0.00 175.10 174.94 1m4q s PRO 62 N 1.73 4.29 0.00 2.72 0.04 -1.26 -0.71 135.00 141.81 1m4q s PRO 62 Ca 0.04 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1m4q s PRO 62 Cb -0.13 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1m4q s PRO 62 CO -0.08 -0.47 0.00 0.98 0.04 0.00 0.00 177.00 177.47 1m4q n TYR 63 N 3.78 0.00 0.20 0.56 9.36 0.82 -4.57 117.16 127.30 1m4q n TYR 63 Ca 0.11 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.31 1m4q n TYR 63 Cb 0.41 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 39.24 1m4q n TYR 63 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1m4q n ARG 64 N 0.00 2.04 0.00 2.98 3.00 -1.26 -4.49 116.66 118.93 1m4q n ARG 64 Ca 0.00 -1.21 0.00 0.00 -0.00 0.00 0.00 57.85 56.64 1m4q n ARG 64 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 30.82 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1m4q n GLY 65 N 0.06 0.15 3.10 5.14 0.00 -1.26 -5.15 105.19 107.23 1m4q n GLY 65 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1m4q n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m4q s ASN 66 N 0.00 -0.12 -0.22 1.61 2.20 -1.26 -5.13 114.94 112.02 1m4q s ASN 66 Ca 0.00 0.15 -0.25 0.00 -0.94 0.00 0.00 52.86 51.82 1m4q s ASN 66 Cb 0.00 0.32 -0.01 0.00 -2.00 0.00 0.00 41.25 39.57 1m4q s ASN 66 CO 0.00 -0.21 0.85 -0.89 -2.94 0.00 0.00 177.10 173.91 1m4q s THR 67 N -0.55 4.84 0.13 0.54 2.01 -1.26 -0.13 115.64 121.22 1m4q s THR 67 Ca -0.06 1.63 0.01 0.00 0.31 0.00 0.00 61.69 63.58 1m4q s THR 67 Cb -0.04 -4.14 0.02 0.00 0.01 0.00 0.00 72.50 68.35 1m4q s THR 67 CO 0.01 -0.05 0.18 -1.22 -0.69 0.00 0.00 174.62 172.85 1m4q n TYR 68 N 5.79 -3.04 -3.87 4.92 4.02 0.11 -4.77 117.16 120.31 1m4q n TYR 68 Ca 0.06 -0.41 -0.29 0.00 -0.01 0.00 0.00 57.90 57.25 1m4q n TYR 68 Cb 0.48 -0.13 -0.13 0.00 -0.02 0.00 0.00 39.34 39.54 1m4q n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4q s ASN 69 N -1.78 4.23 -0.03 7.72 0.01 -1.26 -2.37 114.94 121.45 1m4q s ASN 69 Ca 0.13 -3.20 -0.30 0.00 -0.71 0.00 0.00 52.86 48.78 1m4q s ASN 69 Cb -0.01 -1.48 -0.04 0.00 0.41 0.00 0.00 41.25 40.13 1m4q s ASN 69 CO 0.08 -0.19 1.20 -0.51 -1.51 0.00 0.00 177.10 176.18 1m4q s ILE 70 N -0.51 4.20 0.47 0.60 1.10 -1.04 -4.71 121.20 121.31 1m4q s ILE 70 Ca 0.20 1.54 -0.22 0.00 -0.51 0.00 0.00 60.65 61.66 1m4q s ILE 70 Cb -0.18 -3.99 -0.08 0.00 0.15 0.00 0.00 42.46 38.36 1m4q s ILE 70 CO -0.06 0.02 1.11 -2.16 -2.11 0.00 0.00 174.94 171.75 1m4q s PRO 71 N 1.97 3.78 -0.00 3.50 0.04 -1.26 -1.04 135.00 141.99 1m4q s PRO 71 Ca 0.57 1.62 -0.07 0.00 0.04 0.00 0.00 61.00 63.15 1m4q s PRO 71 Cb -0.26 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1m4q s PRO 71 CO 0.24 -0.49 0.15 0.42 0.04 0.00 0.00 177.00 177.35 1m4q s ILE 72 N -1.68 0.07 -0.29 0.56 -1.09 -0.78 -4.48 121.20 113.51 1m4q s ILE 72 Ca 0.65 -0.61 0.02 0.00 -2.23 0.00 0.00 60.65 58.47 1m4q s ILE 72 Cb -0.24 -0.42 0.18 0.00 -1.58 0.00 0.00 42.46 40.40 1m4q s ILE 72 CO 0.29 -0.34 0.55 0.00 -1.23 0.00 0.00 174.94 174.21 1m4q s LEU 74 N 2.78 2.25 0.93 0.00 2.34 -0.97 -1.85 118.68 124.16 1m4q s LEU 74 Ca 0.15 -0.52 -0.15 0.00 0.06 0.00 0.00 54.13 53.66 1m4q s LEU 74 Cb -0.13 -0.00 0.17 0.00 -0.56 0.00 0.00 46.19 45.67 1m4q s LEU 74 CO -0.23 -0.26 1.25 0.26 -1.06 0.00 0.00 176.35 176.30 1m4q s TRP 75 N -1.45 1.97 -0.24 3.48 0.52 -1.16 -1.16 118.94 120.91 1m4q s TRP 75 Ca -0.13 0.50 -0.03 0.00 0.02 0.00 0.00 56.10 56.45 1m4q s TRP 75 Cb -0.10 -3.84 0.11 0.00 -1.15 0.00 0.00 33.47 28.49 1m4q s TRP 75 CO -0.01 -2.48 0.23 -1.17 0.02 0.00 0.00 176.95 173.55 1m4q s LEU 76 N -5.90 -0.04 1.12 2.99 2.96 -0.92 -4.73 118.68 114.16 1m4q s LEU 76 Ca 0.70 -0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 53.87 1m4q s LEU 76 Cb -0.07 0.29 0.25 0.00 0.50 0.00 0.00 46.19 47.16 1m4q s LEU 76 CO 0.52 -0.37 1.11 -0.22 -1.32 0.00 0.00 176.35 176.08 1m4q s LEU 77 N 2.30 1.10 0.03 -0.68 0.20 -1.26 -4.47 118.68 115.89 1m4q s LEU 77 Ca 0.08 0.83 -0.29 0.00 0.69 0.00 0.00 54.13 55.44 1m4q s LEU 77 Cb -0.15 -2.75 -0.17 0.00 -0.43 0.00 0.00 46.19 42.69 1m4q s LEU 77 CO -0.23 -3.70 1.28 0.44 -0.29 0.00 0.00 176.35 173.85 1m4q h ASP 78 N -2.29 -0.78 0.00 3.68 3.32 -1.92 -3.45 116.42 114.98 1m4q h ASP 78 Ca -0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1m4q h ASP 78 Cb 1.31 0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.06 1m4q h ASP 78 CO 0.44 -0.43 0.00 1.07 -1.72 0.00 0.00 179.24 178.60 1m4q n THR 79 N -5.41 0.00 -3.15 0.35 5.66 -1.26 -4.60 114.28 105.86 1m4q n THR 79 Ca -0.13 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.93 1m4q n THR 79 Cb 0.38 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.15 1m4q n THR 79 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1m4q s TYR 80 N 0.00 -0.49 0.00 1.09 6.14 -1.26 -4.62 117.35 118.20 1m4q s TYR 80 Ca 0.00 0.49 0.00 0.00 0.64 0.00 0.00 57.07 58.20 1m4q s TYR 80 Cb 0.00 0.16 0.00 0.00 0.42 0.00 0.00 41.96 42.54 1m4q s TYR 80 CO 0.00 -0.27 0.00 -0.35 0.64 0.00 0.00 175.55 175.57 1m4q n PRO 81 N 5.43 -0.56 0.00 4.97 -0.04 -1.26 -4.97 135.00 138.57 1m4q n PRO 81 Ca -0.05 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.56 1m4q n PRO 81 Cb 0.54 0.00 0.91 0.00 -0.04 0.00 0.00 33.50 34.91 1m4q n PRO 81 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m4q n TYR 82 N -2.00 0.00 -3.73 0.54 4.01 -1.26 -4.76 117.16 109.95 1m4q n TYR 82 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1m4q n TYR 82 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 1m4q n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1m4q s ASN 83 N -1.95 -0.40 -0.32 7.72 -0.87 -1.26 -4.72 114.94 113.13 1m4q s ASN 83 Ca 0.46 0.76 -0.28 0.00 -1.57 0.00 0.00 52.86 52.22 1m4q s ASN 83 Cb 0.21 0.73 -0.02 0.00 -0.02 0.00 0.00 41.25 42.15 1m4q s ASN 83 CO 0.35 -0.15 1.77 -2.16 -2.57 0.00 0.00 177.10 174.35 1m4q s PRO 84 N 0.57 3.39 0.17 -0.60 0.04 -1.26 -4.88 135.00 132.42 1m4q s PRO 84 Ca -0.03 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 1m4q s PRO 84 Cb -0.05 -4.18 0.05 0.00 0.04 0.00 0.00 34.50 30.36 1m4q s PRO 84 CO -0.03 -1.79 1.47 -1.00 0.04 0.00 0.00 177.00 175.68 1m4q h PRO 85 N 12.62 0.65 -6.08 0.56 0.13 -1.97 -3.43 132.00 134.47 1m4q h PRO 85 Ca -0.34 -0.42 -0.58 0.00 -0.87 0.00 0.00 66.00 63.80 1m4q h PRO 85 Cb 1.17 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1m4q h PRO 85 CO 1.03 1.03 1.41 0.42 -0.23 0.00 0.00 178.00 181.66 1m4q s ILE 86 N -4.02 3.21 -0.09 -3.56 1.01 -1.26 -4.94 121.20 111.54 1m4q s ILE 86 Ca -0.08 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1m4q s ILE 86 Cb 0.11 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.34 1m4q s ILE 86 CO 0.86 -0.19 0.19 0.00 0.00 0.00 0.00 174.94 175.80 1m4q s PHE 88 N 1.68 -0.04 0.05 0.00 -0.12 -0.77 -2.27 117.98 116.51 1m4q s PHE 88 Ca -0.04 0.01 -0.07 0.00 -0.05 0.00 0.00 56.93 56.77 1m4q s PHE 88 Cb -0.11 0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.23 1m4q s PHE 88 CO -0.07 -0.34 0.32 0.54 -0.05 0.00 0.00 175.22 175.62 1m4q s VAL 89 N -1.45 5.22 -0.70 -2.49 0.11 0.11 -1.80 120.40 119.40 1m4q s VAL 89 Ca -0.14 0.23 -0.12 0.00 -2.93 0.00 0.00 61.98 59.01 1m4q s VAL 89 Cb -0.06 -3.60 0.18 0.00 -1.53 0.00 0.00 36.38 31.37 1m4q s VAL 89 CO 0.02 0.30 0.62 -1.59 -3.33 0.00 0.00 175.10 171.12 1m4q s LYS 90 N -1.93 3.21 -0.01 1.54 -2.85 -1.26 -4.56 119.74 113.88 1m4q s LYS 90 Ca 0.31 -2.23 -0.30 0.00 -1.00 0.00 0.00 55.97 52.74 1m4q s LYS 90 Cb -0.13 -4.25 -0.05 0.00 -2.06 0.00 0.00 37.83 31.34 1m4q s LYS 90 CO 0.18 -1.27 1.29 -1.25 0.10 0.00 0.00 175.35 174.39 1m4q s PRO 91 N 0.57 4.34 0.79 1.78 0.04 -1.26 -4.85 135.00 136.41 1m4q s PRO 91 Ca 0.13 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 1m4q s PRO 91 Cb -0.18 -3.51 0.07 0.00 0.04 0.00 0.00 34.50 30.92 1m4q s PRO 91 CO -0.05 -0.46 1.13 0.95 0.04 0.00 0.00 177.00 178.61 1m4q s THR 92 N 2.03 2.70 0.25 1.26 -4.23 -1.26 -4.89 115.64 111.50 1m4q s THR 92 Ca 0.60 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 61.30 1m4q s THR 92 Cb -0.29 -3.12 0.23 0.00 1.34 0.00 0.00 72.50 70.66 1m4q s THR 92 CO 0.25 -0.30 1.81 0.28 -0.54 0.00 0.00 174.62 176.13 1m4q h SER 93 N -1.02 0.71 0.28 3.99 0.02 -2.05 0.12 113.55 115.59 1m4q h SER 93 Ca -0.47 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1m4q h SER 93 Cb 1.29 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1m4q h SER 93 CO 0.63 0.40 -0.05 -1.20 -1.14 0.00 0.00 176.83 175.47 1m4q n SER 94 N -4.72 0.33 -4.96 3.07 7.64 -1.26 -4.86 113.62 108.86 1m4q n SER 94 Ca 0.14 -0.67 -0.22 0.00 1.01 0.00 0.00 58.87 59.13 1m4q n SER 94 Cb 0.29 -0.09 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 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 -2.33 2.87 -0.05 1.43 0.00 0.41 -2.93 119.30 118.71 1m4q s MET 95 Ca 0.35 -0.57 -0.01 0.00 0.00 0.00 0.00 55.69 55.46 1m4q s MET 95 Cb 0.21 -2.52 0.03 0.00 0.00 0.00 0.00 34.83 32.54 1m4q s MET 95 CO 0.43 -0.44 0.01 0.99 0.00 0.00 0.00 175.02 176.01 1m4q s THR 96 N -2.65 0.21 -0.01 10.11 2.01 -1.11 -4.73 115.64 119.46 1m4q s THR 96 Ca 0.52 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.38 1m4q s THR 96 Cb -0.10 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 1m4q s THR 96 CO 0.38 0.20 1.44 -0.63 -0.69 0.00 0.00 174.62 175.33 1m4q s ILE 97 N 1.62 3.68 -0.48 1.82 -1.09 -1.26 -2.32 121.20 123.17 1m4q s ILE 97 Ca -0.01 1.03 -0.15 0.00 -2.23 0.00 0.00 60.65 59.29 1m4q s ILE 97 Cb -0.13 -3.66 0.09 0.00 -1.58 0.00 0.00 42.46 37.18 1m4q s ILE 97 CO -0.03 -0.02 0.41 -0.75 -1.23 0.00 0.00 174.94 173.32 1m4q s LYS 98 N 2.71 2.94 0.63 2.79 2.36 -0.68 -4.93 119.74 125.56 1m4q s LYS 98 Ca 0.65 -1.46 -0.16 0.00 -2.55 0.00 0.00 55.97 52.45 1m4q s LYS 98 Cb -0.32 -4.14 -0.01 0.00 -1.05 0.00 0.00 37.83 32.31 1m4q s LYS 98 CO 0.26 -1.10 1.11 0.95 1.55 0.00 0.00 175.35 178.12 1m4q s THR 99 N 1.60 3.28 -4.32 3.43 -4.23 -1.26 -4.62 115.64 109.52 1m4q s THR 99 Ca 0.04 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 1m4q s THR 99 Cb -0.26 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1m4q s THR 99 CO 0.05 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1m4q n GLY 100 N -0.45 -2.37 0.35 3.99 0.00 -0.65 -4.87 105.19 101.19 1m4q n GLY 100 Ca 0.10 -1.26 0.18 0.00 0.00 0.00 0.00 46.02 45.05 1m4q n GLY 100 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1m4q h LYS 101 N 0.00 0.00 -0.02 1.61 2.10 -1.95 0.22 116.57 118.52 1m4q h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1m4q h LYS 101 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1m4q h LYS 101 CO 0.00 0.00 -0.13 0.72 -2.00 0.00 0.00 179.45 178.04 1m4q n HIS 102 N -3.43 0.00 -3.65 0.07 8.25 -1.26 -4.69 115.22 110.51 1m4q n HIS 102 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1m4q n HIS 102 Cb 0.40 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.43 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 -2.14 0.03 -0.04 1.59 1.01 0.78 -2.95 120.40 118.68 1m4q s VAL 103 Ca 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1m4q s VAL 103 Cb 0.20 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1m4q s VAL 103 CO 0.38 -0.14 -0.04 0.44 0.00 0.00 0.00 175.10 175.74 1m4q h ASP 104 N 3.45 0.00 0.00 3.32 5.19 -1.74 -1.74 116.42 124.90 1m4q h ASP 104 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1m4q h ASP 104 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1m4q h ASP 104 CO 0.40 0.21 0.00 0.00 -3.12 0.00 0.00 179.24 176.72 1m4q n ALA 105 N -2.57 0.00 0.22 3.45 0.00 -1.26 -4.61 120.51 115.74 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 0.06 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.78 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 3.22 0.00 0.00 3.02 -1.26 -4.87 115.26 115.37 1m4q n ASN 106 Ca 0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1m4q n ASN 106 Cb 0.00 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m4q n GLY 107 N 1.47 0.37 3.77 7.41 0.00 -1.26 -4.83 105.19 112.12 1m4q n GLY 107 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1m4q n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m4q s LYS 108 N -0.91 4.44 -0.17 1.61 1.02 -1.26 0.04 119.74 124.51 1m4q s LYS 108 Ca 0.00 2.09 -0.28 0.00 0.02 0.00 0.00 55.97 57.80 1m4q s LYS 108 Cb 0.00 -3.11 -0.00 0.00 -0.52 0.00 0.00 37.83 34.20 1m4q s LYS 108 CO 0.00 -0.07 0.97 0.42 -0.92 0.00 0.00 175.35 175.75 1m4q s ILE 109 N -1.10 4.77 -0.73 2.17 1.01 -0.96 -3.19 121.20 123.17 1m4q s ILE 109 Ca 0.48 1.92 -0.02 0.00 0.00 0.00 0.00 60.65 63.03 1m4q s ILE 109 Cb -0.37 -4.26 0.37 0.00 0.01 0.00 0.00 42.46 38.20 1m4q s ILE 109 CO 0.49 -0.06 2.08 0.00 0.00 0.00 0.00 174.94 177.44 1m4q n TYR 110 N 5.59 2.95 -3.88 3.97 9.36 -1.15 -4.85 117.16 129.14 1m4q n TYR 110 Ca 0.09 -2.59 -0.30 0.00 3.32 0.00 0.00 57.90 58.42 1m4q n TYR 110 Cb 0.48 -1.31 -0.15 0.00 -0.63 0.00 0.00 39.34 37.73 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 -3.77 3.29 -0.73 2.98 2.01 -1.26 -4.68 118.68 116.52 1m4q s LEU 111 Ca 0.57 -1.75 -0.10 0.00 0.01 0.00 0.00 54.13 52.86 1m4q s LEU 111 Cb 0.46 -1.22 -0.09 0.00 0.01 0.00 0.00 46.19 45.35 1m4q s LEU 111 CO -0.22 -0.37 1.90 -0.81 1.01 0.00 0.00 176.35 177.87 1m4q n PRO 112 N 4.58 1.59 -0.26 1.29 -0.04 -1.26 -4.67 135.00 136.23 1m4q n PRO 112 Ca -0.02 -1.43 0.07 0.00 -0.04 0.00 0.00 63.50 62.09 1m4q n PRO 112 Cb 0.42 -2.52 0.20 0.00 -0.04 0.00 0.00 33.50 31.56 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 7.09 0.28 -0.08 0.54 0.05 -1.95 0.31 116.97 123.21 1m4q h TYR 113 Ca 0.41 0.04 -0.06 0.00 0.05 0.00 0.00 58.73 59.17 1m4q h TYR 113 Cb 0.30 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1m4q h TYR 113 CO 1.74 -0.11 -0.19 -0.07 -1.05 0.00 0.00 178.16 178.48 1m4q h LEU 114 N 0.26 0.31 -1.89 3.88 3.38 -1.93 -1.70 115.31 117.61 1m4q h LEU 114 Ca 0.44 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1m4q h LEU 114 Cb 0.78 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1m4q h LEU 114 CO -0.54 0.83 0.00 -0.74 0.09 0.00 0.00 178.44 178.08 1m4q h HIS 115 N -0.20 0.00 0.00 1.13 2.76 -1.68 -3.33 115.15 113.83 1m4q h HIS 115 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1m4q h HIS 115 Cb 0.79 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1m4q h HIS 115 CO 0.12 0.00 0.00 -1.91 -1.30 0.00 0.00 177.93 174.84 1m4q n GLU 116 N -2.67 0.00 0.00 5.26 2.13 0.10 -4.98 120.64 120.48 1m4q n GLU 116 Ca -0.01 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1m4q n GLU 116 Cb 0.12 -0.21 0.00 0.00 0.27 0.00 0.00 31.44 31.61 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 -1.48 0.00 -3.39 4.31 -0.00 -0.65 -4.96 117.44 111.27 1m4q n TRP 117 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.35 1m4q n TRP 117 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 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 -1.48 0.03 5.87 0.00 -1.25 -4.93 118.16 116.40 1m4q n LYS 118 Ca 0.00 0.98 -0.15 0.00 0.00 0.00 0.00 58.31 59.14 1m4q n LYS 118 Cb 0.00 -4.68 -0.05 0.00 0.00 0.00 0.00 35.03 30.30 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 -0.55 0.86 0.22 5.64 2.76 -1.92 -3.47 115.15 118.69 1m4q h HIS 119 Ca -0.39 -0.42 -0.01 0.00 -2.20 0.00 0.00 60.37 57.35 1m4q h HIS 119 Cb 1.22 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.06 1m4q h HIS 119 CO 0.26 1.23 -0.11 -1.00 -1.30 0.00 0.00 177.93 177.01 1m4q h PRO 120 N 0.39 -0.28 0.00 5.26 0.13 -2.02 -3.50 132.00 131.97 1m4q h PRO 120 Ca -0.07 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1m4q h PRO 120 Cb 1.48 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.68 1m4q h PRO 120 CO 0.16 -0.19 0.00 0.94 -0.23 0.00 0.00 178.00 178.68 1m4q n GLN 121 N -3.53 0.00 -2.87 0.86 -0.06 -1.26 -4.90 117.38 105.62 1m4q n GLN 121 Ca -0.04 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.56 1m4q n GLN 121 Cb 0.12 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.25 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1m4q s SER 122 N 0.00 7.28 0.64 1.69 0.15 -1.26 -5.06 113.70 117.13 1m4q s SER 122 Ca 0.00 1.53 0.07 0.00 0.70 0.00 0.00 55.95 58.25 1m4q s SER 122 Cb 0.00 -2.51 0.11 0.00 -1.71 0.00 0.00 66.02 61.91 1m4q s SER 122 CO 0.00 -0.09 0.88 -0.67 1.20 0.00 0.00 173.24 174.56 1m4q n ASP 123 N 3.22 1.93 -0.34 5.45 2.03 -1.26 -4.85 116.55 122.73 1m4q n ASP 123 Ca 0.01 -2.45 0.17 0.00 0.52 0.00 0.00 54.79 53.04 1m4q n ASP 123 Cb 0.50 -0.50 0.39 0.00 -0.72 0.00 0.00 41.12 40.80 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 0.66 -0.41 -2.67 5.85 -1.94 0.11 115.31 116.90 1m4q h LEU 124 Ca -0.29 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 1m4q h LEU 124 Cb 1.27 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1m4q h LEU 124 CO 0.39 0.17 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.42 1m4q h LEU 125 N 0.60 0.87 -1.28 2.25 4.07 -1.94 -2.99 115.31 116.90 1m4q h LEU 125 Ca 0.60 -0.39 -0.07 0.00 0.08 0.00 0.00 57.88 58.09 1m4q h LEU 125 Cb 1.16 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 1m4q h LEU 125 CO -0.39 1.07 -0.33 1.23 -1.08 0.00 0.00 178.44 178.94 1m4q h GLY 126 N 0.67 0.05 0.60 0.83 0.00 -1.22 -2.76 103.07 101.25 1m4q h GLY 126 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1m4q h GLY 126 CO 0.05 0.04 -0.36 -2.00 0.00 0.00 0.00 176.54 174.27 1m4q h LEU 127 N 0.05 -0.91 -1.94 3.11 6.46 -0.92 -2.59 115.31 118.57 1m4q h LEU 127 Ca 0.00 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.88 1m4q h LEU 127 Cb 0.61 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 1m4q h LEU 127 CO 0.04 -0.56 0.19 0.40 -0.62 0.00 0.00 178.44 177.90 1m4q h ILE 128 N -0.90 0.90 -0.88 4.05 5.03 -1.58 -1.46 117.51 122.68 1m4q h ILE 128 Ca -0.08 -0.02 0.06 0.00 -0.12 0.00 0.00 64.86 64.70 1m4q h ILE 128 Cb 0.72 0.82 -0.06 0.00 -3.03 0.00 0.00 36.82 35.27 1m4q h ILE 128 CO 0.09 0.01 0.55 -0.61 -0.68 0.00 0.00 178.15 177.51 1m4q h GLN 129 N 0.07 0.97 -0.07 2.37 4.15 -1.16 0.79 115.11 122.22 1m4q h GLN 129 Ca 0.13 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1m4q h GLN 129 Cb 0.42 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1m4q h GLN 129 CO -0.01 0.64 0.02 0.28 -1.93 0.00 0.00 178.83 177.83 1m4q h VAL 130 N 1.00 1.19 -0.48 2.39 2.07 -0.91 -0.21 116.25 121.30 1m4q h VAL 130 Ca 0.38 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1m4q h VAL 130 Cb 0.17 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1m4q h VAL 130 CO -0.17 0.17 0.32 -0.03 0.02 0.00 0.00 177.57 177.87 1m4q h MET 131 N -0.10 0.50 -0.37 1.57 1.85 -1.35 0.12 114.93 117.15 1m4q h MET 131 Ca 0.02 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 58.92 1m4q h MET 131 Cb 0.25 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.16 1m4q h MET 131 CO 0.00 0.33 -0.40 0.82 -0.40 0.00 0.00 176.91 177.26 1m4q h ILE 132 N 0.51 1.27 0.14 1.77 2.04 -0.49 -0.02 117.51 122.74 1m4q h ILE 132 Ca 0.20 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1m4q h ILE 132 Cb 0.15 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1m4q h ILE 132 CO -0.05 0.52 -0.07 0.58 0.00 0.00 0.00 178.15 179.14 1m4q h VAL 133 N 0.73 1.01 -0.04 1.67 2.07 0.20 -1.46 116.25 120.42 1m4q h VAL 133 Ca 0.05 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1m4q h VAL 133 Cb 1.00 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1m4q h VAL 133 CO 0.10 0.16 -0.02 0.58 0.02 0.00 0.00 177.57 178.41 1m4q h VAL 134 N -0.53 0.92 0.00 2.57 2.07 -0.85 -1.15 116.25 119.28 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 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 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 -5.13 0.53 0.00 1.57 3.01 -0.02 -1.15 117.46 116.27 1m4q n PHE 135 Ca -0.06 0.24 -0.00 0.00 1.01 0.00 0.00 57.45 58.64 1m4q n PHE 135 Cb 0.07 -0.89 0.30 0.00 -0.01 0.00 0.00 39.48 38.95 1m4q n PHE 135 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1m4q h GLY 136 N 1.23 0.55 0.00 1.37 0.00 -0.08 -3.36 103.07 102.79 1m4q h GLY 136 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1m4q h GLY 136 CO 0.00 0.31 -1.43 1.22 0.00 0.00 0.00 176.54 176.64 1m4q n ASP 137 N -4.28 2.61 -4.52 0.19 9.92 -1.03 -4.30 116.55 115.14 1m4q n ASP 137 Ca 0.01 -0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.84 1m4q n ASP 137 Cb 0.25 -0.15 -0.05 0.00 -0.64 0.00 0.00 41.12 40.53 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 -2.15 3.33 -0.39 -1.24 2.12 -0.30 -5.02 118.70 115.06 1m4q s GLU 138 Ca -0.10 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 1m4q s GLU 138 Cb 0.03 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.42 1m4q s GLU 138 CO 0.16 -1.25 1.46 -1.25 -0.54 0.00 0.00 175.26 173.84 1m4q s PRO 139 N 3.39 3.56 0.22 4.30 0.04 -1.26 -4.08 135.00 141.17 1m4q s PRO 139 Ca 0.28 1.04 0.12 0.00 0.04 0.00 0.00 61.00 62.47 1m4q s PRO 139 Cb -0.13 -4.04 0.01 0.00 0.04 0.00 0.00 34.50 30.37 1m4q s PRO 139 CO 0.20 -1.58 1.40 -1.00 0.04 0.00 0.00 177.00 176.06 1m4q h PRO 140 N 10.92 0.00 -1.28 0.56 0.13 -1.88 -3.43 132.00 137.03 1m4q h PRO 140 Ca -0.28 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.70 1m4q h PRO 140 Cb 1.11 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.02 1m4q h PRO 140 CO 1.07 0.72 -0.51 0.54 -0.23 0.00 0.00 178.00 179.59 1m4q s VAL 141 N -2.93 -0.81 -0.09 1.56 0.11 -1.26 -1.68 120.40 115.30 1m4q s VAL 141 Ca 0.02 -0.28 -0.17 0.00 -2.93 0.00 0.00 61.98 58.62 1m4q s VAL 141 Cb 0.09 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 1m4q s VAL 141 CO 0.77 -0.17 0.45 0.72 -3.33 0.00 0.00 175.10 173.55 1m4q s PHE 142 N 1.83 3.56 0.58 1.54 -0.12 -0.98 -4.73 117.98 119.67 1m4q s PHE 142 Ca 0.16 0.91 -0.03 0.00 -0.05 0.00 0.00 56.93 57.91 1m4q s PHE 142 Cb -0.08 -2.48 0.02 0.00 -0.63 0.00 0.00 43.02 39.85 1m4q s PHE 142 CO -0.08 0.29 0.86 0.45 -0.05 0.00 0.00 175.22 176.68 1m4q s SER 143 N 0.20 5.40 0.49 1.98 0.15 -1.26 -2.75 113.70 117.90 1m4q s SER 143 Ca 0.25 0.42 -0.20 0.00 0.70 0.00 0.00 55.95 57.12 1m4q s SER 143 Cb -0.15 -1.37 -0.08 0.00 -1.71 0.00 0.00 66.02 62.70 1m4q s SER 143 CO 0.11 -1.13 1.03 0.00 1.20 0.00 0.00 173.24 174.45 1m4q s ARG 144 N -4.92 3.82 0.00 5.44 1.70 -1.15 -4.88 118.95 118.97 1m4q s ARG 144 Ca 0.55 1.30 0.17 0.00 -0.47 0.00 0.00 55.73 57.28 1m4q s ARG 144 Cb -0.10 -2.10 1.01 0.00 -0.57 0.00 0.00 34.95 33.18 1m4q s ARG 144 CO 0.42 -0.41 1.41 -0.35 -1.08 0.00 0.00 175.30 175.30