#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 0.67 0.21 0.00 3.14 -1.26 -4.26 118.33 116.84 1m4q n VAL 3 Ca 0.00 -0.67 0.11 0.00 -2.96 0.00 0.00 64.34 60.82 1m4q n VAL 3 Cb 0.00 -0.24 0.24 0.00 -1.06 0.00 0.00 33.84 32.78 1m4q n VAL 3 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1m4q h SER 4 N 0.00 0.00 -0.62 6.55 0.87 -1.99 -3.29 113.55 115.06 1m4q h SER 4 Ca -0.25 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1m4q h SER 4 Cb 1.57 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.45 1m4q h SER 4 CO 0.02 0.11 0.19 1.05 -0.53 0.00 0.00 176.83 177.66 1m4q h GLU 5 N 0.00 0.34 -0.33 2.24 4.11 -1.98 0.82 114.58 119.78 1m4q h GLU 5 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1m4q h GLU 5 Cb 0.98 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1m4q h GLU 5 CO 0.01 0.22 0.22 1.03 0.07 0.00 0.00 179.01 180.56 1m4q h SER 6 N 0.35 0.38 0.64 3.06 0.87 -1.83 -2.13 113.55 114.88 1m4q h SER 6 Ca 0.32 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 1m4q h SER 6 Cb 0.44 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1m4q h SER 6 CO -0.36 0.27 -0.39 -0.61 -0.53 0.00 0.00 176.83 175.22 1m4q h GLN 7 N 0.44 0.00 -0.86 2.24 4.15 -1.44 -3.05 115.11 116.59 1m4q h GLN 7 Ca 0.12 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.56 1m4q h GLN 7 Cb -0.05 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.59 1m4q h GLN 7 CO -0.03 0.39 0.56 1.25 -1.93 0.00 0.00 178.83 179.08 1m4q h LEU 8 N 0.00 0.95 -0.70 -2.39 5.85 0.13 -2.58 115.31 116.56 1m4q h LEU 8 Ca -0.00 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1m4q h LEU 8 Cb 0.82 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1m4q h LEU 8 CO 0.05 0.67 0.39 0.50 -0.34 0.00 0.00 178.44 179.71 1m4q h LYS 9 N 1.12 0.69 0.00 1.25 3.64 -1.39 0.01 116.57 121.89 1m4q h LYS 9 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1m4q h LYS 9 Cb -0.06 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1m4q h LYS 9 CO -0.09 0.46 0.00 0.36 -2.27 0.00 0.00 179.45 177.90 1m4q n LYS 10 N -4.77 0.15 0.26 1.90 2.85 -0.99 -2.64 118.16 114.92 1m4q n LYS 10 Ca 0.09 0.38 0.11 0.00 -1.05 0.00 0.00 58.31 57.84 1m4q n LYS 10 Cb 0.19 -1.78 0.71 0.00 -0.65 0.00 0.00 35.03 33.50 1m4q n LYS 10 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 1m4q h MET 11 N 0.00 0.00 0.00 -1.58 2.86 -0.81 -3.37 114.93 112.03 1m4q h MET 11 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1m4q h MET 11 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1m4q h MET 11 CO 0.00 0.08 0.00 1.33 1.06 0.00 0.00 176.91 179.38 1m4q n VAL 12 N -4.04 0.00 -1.82 -2.22 0.24 -1.08 -4.89 118.33 104.51 1m4q n VAL 12 Ca -0.03 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.13 1m4q n VAL 12 Cb 0.16 -0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 31.68 1m4q n VAL 12 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1m4q n SER 13 N -1.07 -4.12 0.00 -1.34 3.41 -1.24 -4.62 113.62 104.64 1m4q n SER 13 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1m4q n SER 13 Cb 0.00 -3.66 0.00 0.00 -0.26 0.00 0.00 64.21 60.29 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1m4q n LYS 14 N -2.32 0.00 -1.54 4.33 5.02 -1.26 -5.12 118.16 117.26 1m4q n LYS 14 Ca -0.16 -0.05 -0.31 0.00 -2.02 0.00 0.00 58.31 55.77 1m4q n LYS 14 Cb 0.54 -0.15 0.06 0.00 -0.02 0.00 0.00 35.03 35.47 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1m4q s TYR 15 N 0.00 2.86 0.40 2.13 1.51 -1.26 -4.93 117.35 118.05 1m4q s TYR 15 Ca 0.00 1.49 0.07 0.00 -1.01 0.00 0.00 57.07 57.63 1m4q s TYR 15 Cb 0.00 -2.99 0.81 0.00 -0.11 0.00 0.00 41.96 39.67 1m4q s TYR 15 CO 0.00 -1.47 2.01 -0.22 -1.11 0.00 0.00 175.55 174.76 1m4q h LYS 16 N -0.64 0.48 -2.01 -0.62 3.64 -1.98 -3.27 116.57 112.17 1m4q h LYS 16 Ca -0.44 -0.05 -0.51 0.00 -1.27 0.00 0.00 60.65 58.37 1m4q h LYS 16 Cb 1.22 -0.10 -0.40 0.00 -0.41 0.00 0.00 32.23 32.55 1m4q h LYS 16 CO 0.55 0.39 -1.15 0.66 -2.27 0.00 0.00 179.45 177.63 1m4q n TYR 17 N -4.41 0.13 -0.28 1.91 4.01 -1.26 -4.97 117.16 112.29 1m4q n TYR 17 Ca 0.02 -3.74 0.10 0.00 -0.16 0.00 0.00 57.90 54.12 1m4q n TYR 17 Cb 0.13 -0.40 0.25 0.00 -0.31 0.00 0.00 39.34 39.01 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 3.36 0.34 0.73 -0.72 2.43 -1.94 0.74 114.38 119.33 1m4q h ARG 18 Ca 0.09 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1m4q h ARG 18 Cb 0.92 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1m4q h ARG 18 CO 0.50 0.22 -0.41 -0.44 -1.51 0.00 0.00 179.97 178.33 1m4q h ASP 19 N 0.35 -1.01 0.57 -3.80 3.32 -1.93 0.88 116.42 114.80 1m4q h ASP 19 Ca 0.49 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.58 1m4q h ASP 19 Cb 0.89 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1m4q h ASP 19 CO -0.52 -0.66 -0.09 -0.07 -1.72 0.00 0.00 179.24 176.18 1m4q h LEU 20 N -1.06 0.00 0.01 1.55 -0.00 -1.79 -1.37 115.31 112.66 1m4q h LEU 20 Ca -0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.73 1m4q h LEU 20 Cb 0.84 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.50 1m4q h LEU 20 CO 0.12 0.09 -0.26 0.74 -0.00 0.00 0.00 178.44 179.14 1m4q h THR 21 N 0.00 1.65 -0.57 0.22 2.02 0.90 -3.05 112.91 114.08 1m4q h THR 21 Ca -0.00 -2.35 -0.02 0.00 0.77 0.00 0.00 66.41 64.82 1m4q h THR 21 Cb 0.41 3.22 -0.03 0.00 -1.74 0.00 0.00 68.15 70.01 1m4q h THR 21 CO 0.01 0.58 0.29 0.58 0.37 0.00 0.00 175.52 177.36 1m4q h VAL 22 N -0.93 1.20 -0.74 3.16 2.07 0.88 -1.85 116.25 120.03 1m4q h VAL 22 Ca -0.06 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1m4q h VAL 22 Cb 1.11 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1m4q h VAL 22 CO -0.01 0.22 0.48 -0.09 0.02 0.00 0.00 177.57 178.19 1m4q h ARG 23 N 0.77 0.94 -0.54 1.57 2.43 -1.39 -1.10 114.38 117.06 1m4q h ARG 23 Ca 0.20 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1m4q h ARG 23 Cb 0.09 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1m4q h ARG 23 CO -0.03 0.62 0.23 0.93 -1.51 0.00 0.00 179.97 180.22 1m4q h GLU 24 N 0.97 0.79 0.92 0.20 5.08 -1.37 -0.84 114.58 120.32 1m4q h GLU 24 Ca 0.28 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1m4q h GLU 24 Cb -0.06 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.06 1m4q h GLU 24 CO -0.08 0.67 -0.44 1.15 -1.00 0.00 0.00 179.01 179.31 1m4q h THR 25 N 0.72 0.09 -0.77 1.13 2.02 -0.86 -2.14 112.91 113.10 1m4q h THR 25 Ca 0.18 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.46 1m4q h THR 25 Cb 0.16 0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 66.58 1m4q h THR 25 CO -0.02 0.00 0.39 -0.37 0.37 0.00 0.00 175.52 175.89 1m4q h VAL 26 N -1.24 0.81 -0.73 3.16 -1.51 -1.20 -1.47 116.25 114.06 1m4q h VAL 26 Ca -0.13 -0.21 0.06 0.00 -1.23 0.00 0.00 66.70 65.19 1m4q h VAL 26 Cb 0.95 0.13 -0.06 0.00 -2.13 0.00 0.00 31.29 30.18 1m4q h VAL 26 CO 0.21 0.11 0.42 0.78 -1.23 0.00 0.00 177.57 177.86 1m4q h ASN 27 N 0.62 0.63 0.15 4.19 4.21 -1.03 1.15 115.58 125.51 1m4q h ASN 27 Ca 0.39 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.93 1m4q h ASN 27 Cb 0.47 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1m4q h ASN 27 CO -0.30 0.40 -0.07 0.58 -1.29 0.00 0.00 177.43 176.74 1m4q h VAL 28 N 0.76 0.93 -0.15 2.81 2.07 -0.60 0.04 116.25 122.12 1m4q h VAL 28 Ca 0.33 -0.36 -0.16 0.00 0.82 0.00 0.00 66.70 67.33 1m4q h VAL 28 Cb 0.21 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1m4q h VAL 28 CO -0.19 0.09 -0.58 0.16 0.02 0.00 0.00 177.57 177.07 1m4q h ILE 29 N -0.38 1.34 0.00 4.57 3.07 -1.14 -0.94 117.51 124.03 1m4q h ILE 29 Ca -0.02 -1.87 -0.10 0.00 1.55 0.00 0.00 64.86 64.43 1m4q h ILE 29 Cb 0.30 1.85 -0.01 0.00 -0.27 0.00 0.00 36.82 38.69 1m4q h ILE 29 CO 0.03 0.57 -0.47 0.74 -1.05 0.00 0.00 178.15 177.98 1m4q h THR 30 N 0.36 1.28 0.12 0.16 2.02 0.14 1.28 112.91 118.28 1m4q h THR 30 Ca 0.00 -1.63 -0.26 0.00 0.77 0.00 0.00 66.41 65.29 1m4q h THR 30 Cb 1.12 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1m4q h THR 30 CO 0.10 0.46 -1.31 0.25 0.37 0.00 0.00 175.52 175.39 1m4q h LEU 31 N 0.00 0.39 0.09 2.58 5.85 -0.89 -3.38 115.31 119.95 1m4q h LEU 31 Ca -0.00 -0.87 -0.31 0.00 0.84 0.00 0.00 57.88 57.54 1m4q h LEU 31 Cb 0.85 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1m4q h LEU 31 CO 0.06 1.58 -1.61 1.88 -0.34 0.00 0.00 178.44 180.01 1m4q h TYR 32 N -0.32 0.33 -1.01 1.25 0.05 -1.20 -3.47 116.97 112.60 1m4q h TYR 32 Ca -0.28 -0.24 -0.25 0.00 0.05 0.00 0.00 58.73 58.01 1m4q h TYR 32 Cb 1.74 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 39.36 1m4q h TYR 32 CO 0.14 1.34 -0.23 0.36 -1.05 0.00 0.00 178.16 178.72 1m4q n LYS 33 N -3.36 -1.47 -0.01 4.88 2.85 0.44 -4.69 118.16 116.79 1m4q n LYS 33 Ca -0.18 0.80 0.00 0.00 -1.05 0.00 0.00 58.31 57.88 1m4q n LYS 33 Cb 1.04 -5.02 -0.02 0.00 -0.65 0.00 0.00 35.03 30.38 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 -0.59 4.39 -4.62 -5.58 8.00 -1.26 -4.98 116.55 111.91 1m4q n ASP 34 Ca -0.12 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.96 1m4q n ASP 34 Cb 0.48 0.90 -0.04 0.00 -0.02 0.00 0.00 41.12 42.43 1m4q n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4q s LEU 35 N -3.58 4.07 -0.35 0.64 1.02 -1.26 -2.93 118.68 116.28 1m4q s LEU 35 Ca -0.01 0.75 -0.22 0.00 0.02 0.00 0.00 54.13 54.67 1m4q s LEU 35 Cb 0.01 -3.15 0.00 0.00 0.02 0.00 0.00 46.19 43.08 1m4q s LEU 35 CO 0.11 -0.64 0.71 -0.54 0.02 0.00 0.00 176.35 176.00 1m4q s LYS 36 N 3.04 3.74 0.24 1.70 1.02 0.32 -4.74 119.74 125.06 1m4q s LYS 36 Ca 0.34 0.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.24 1m4q s LYS 36 Cb -0.14 -3.80 -0.10 0.00 -0.52 0.00 0.00 37.83 33.27 1m4q s LYS 36 CO 0.12 -0.77 1.43 -1.25 -0.92 0.00 0.00 175.35 173.96 1m4q s PRO 37 N 2.88 4.28 -0.04 -1.68 0.04 -1.26 -1.83 135.00 137.39 1m4q s PRO 37 Ca 0.28 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.62 1m4q s PRO 37 Cb -0.14 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1m4q s PRO 37 CO 0.15 -0.40 -0.10 0.54 0.04 0.00 0.00 177.00 177.23 1m4q s VAL 38 N 0.01 0.88 -0.87 -0.36 0.11 -0.15 -4.93 120.40 115.08 1m4q s VAL 38 Ca 0.59 -0.39 -0.15 0.00 -2.93 0.00 0.00 61.98 59.10 1m4q s VAL 38 Cb -0.41 -0.79 0.20 0.00 -1.53 0.00 0.00 36.38 33.84 1m4q s VAL 38 CO 0.43 0.28 0.89 -0.22 -3.33 0.00 0.00 175.10 173.14 1m4q s LEU 39 N 0.34 6.29 0.61 2.54 1.98 -1.26 -1.25 118.68 127.93 1m4q s LEU 39 Ca -0.06 -2.58 -0.09 0.00 -2.89 0.00 0.00 54.13 48.51 1m4q s LEU 39 Cb -0.11 -2.26 -0.01 0.00 0.66 0.00 0.00 46.19 44.47 1m4q s LEU 39 CO 0.01 -0.68 0.97 1.51 -1.89 0.00 0.00 176.35 176.27 1m4q s ASP 40 N 2.49 5.89 -0.28 3.68 1.47 -0.68 -4.93 116.67 124.31 1m4q s ASP 40 Ca 0.23 1.09 -0.17 0.00 1.18 0.00 0.00 52.55 54.88 1m4q s ASP 40 Cb -0.09 -2.12 0.11 0.00 -0.34 0.00 0.00 42.92 40.48 1m4q s ASP 40 CO -0.09 -0.98 0.83 -0.55 0.68 0.00 0.00 175.17 175.06 1m4q s SER 41 N -4.24 -0.73 0.17 2.11 0.15 -1.26 -1.12 113.70 108.79 1m4q s SER 41 Ca 0.54 1.20 -0.01 0.00 0.70 0.00 0.00 55.95 58.38 1m4q s SER 41 Cb -0.11 1.29 -0.04 0.00 -1.71 0.00 0.00 66.02 65.45 1m4q s SER 41 CO 0.50 -0.19 0.11 -0.47 1.20 0.00 0.00 173.24 174.38 1m4q s TYR 42 N 1.32 1.02 0.30 3.44 5.04 -1.18 -4.89 117.35 122.40 1m4q s TYR 42 Ca -0.08 -1.31 -0.15 0.00 -2.44 0.00 0.00 57.07 53.10 1m4q s TYR 42 Cb -0.04 -0.51 -0.09 0.00 0.35 0.00 0.00 41.96 41.67 1m4q s TYR 42 CO -0.15 -0.60 0.71 0.14 -1.34 0.00 0.00 175.55 174.31 1m4q s VAL 43 N -4.11 4.70 0.11 3.14 -7.23 -1.26 -0.39 120.40 115.36 1m4q s VAL 43 Ca 0.33 0.92 0.00 0.00 -1.81 0.00 0.00 61.98 61.42 1m4q s VAL 43 Cb 0.07 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.38 1m4q s VAL 43 CO 0.08 -0.14 0.00 0.49 -0.31 0.00 0.00 175.10 175.21 1m4q n PHE 44 N -0.26 -1.65 -1.57 2.82 3.72 0.34 -4.83 117.46 116.04 1m4q n PHE 44 Ca 0.03 0.26 -0.14 0.00 -0.05 0.00 0.00 57.45 57.55 1m4q n PHE 44 Cb 0.53 0.91 -0.11 0.00 -0.94 0.00 0.00 39.48 39.87 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 1.33 -1.81 4.37 3.02 -1.24 -3.23 115.26 114.92 1m4q n ASN 45 Ca 0.00 -2.38 -0.15 0.00 -0.03 0.00 0.00 54.58 52.01 1m4q n ASN 45 Cb 0.00 -1.72 -0.04 0.00 -0.61 0.00 0.00 39.78 37.41 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 19.83 -4.29 0.00 6.41 8.00 -1.26 -1.17 116.55 144.07 1m4q n ASP 46 Ca 0.41 0.28 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1m4q n ASP 46 Cb 0.47 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 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 1.29 3.65 0.44 0.00 -1.20 -5.09 105.19 103.77 1m4q n GLY 47 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.90 6.99 0.04 1.61 0.15 -0.31 -4.61 113.70 115.67 1m4q s SER 48 Ca 0.00 1.23 -0.30 0.00 0.70 0.00 0.00 55.95 57.58 1m4q s SER 48 Cb 0.00 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1m4q s SER 48 CO 0.00 -0.62 1.19 -0.94 1.20 0.00 0.00 173.24 174.07 1m4q s SER 49 N 1.27 7.09 -0.07 5.45 1.04 -1.26 -0.50 113.70 126.73 1m4q s SER 49 Ca 0.40 1.97 0.04 0.00 0.48 0.00 0.00 55.95 58.85 1m4q s SER 49 Cb -0.15 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.38 1m4q s SER 49 CO 0.07 -0.47 -0.20 -0.60 0.98 0.00 0.00 173.24 173.01 1m4q s ARG 50 N 1.20 2.71 -0.90 4.02 3.52 0.48 -4.93 118.95 125.05 1m4q s ARG 50 Ca 0.58 -0.82 -0.24 0.00 -0.13 0.00 0.00 55.73 55.12 1m4q s ARG 50 Cb -0.28 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.81 1m4q s ARG 50 CO 0.28 0.40 1.67 -1.21 -0.81 0.00 0.00 175.30 175.63 1m4q s GLU 51 N -0.18 3.04 -0.31 5.12 8.01 -1.26 -3.13 118.70 129.98 1m4q s GLU 51 Ca -0.02 -0.50 -0.13 0.00 0.01 0.00 0.00 54.97 54.33 1m4q s GLU 51 Cb -0.14 -5.00 -0.03 0.00 -4.31 0.00 0.00 34.13 24.65 1m4q s GLU 51 CO 0.03 -2.71 0.25 -0.51 0.01 0.00 0.00 175.26 172.33 1m4q s LEU 52 N 7.49 4.28 0.28 1.80 1.43 -0.27 -4.90 118.68 128.79 1m4q s LEU 52 Ca 0.56 -0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.25 1m4q s LEU 52 Cb -0.05 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.90 1m4q s LEU 52 CO -0.00 -0.17 0.85 -0.32 0.23 0.00 0.00 176.35 176.94 1m4q s MET 53 N 1.81 4.45 0.23 1.70 -2.45 -1.25 -1.69 119.30 122.11 1m4q s MET 53 Ca 0.08 1.14 -0.10 0.00 -1.25 0.00 0.00 55.69 55.56 1m4q s MET 53 Cb -0.17 -2.84 -0.01 0.00 1.25 0.00 0.00 34.83 33.06 1m4q s MET 53 CO 0.11 0.33 0.39 0.54 1.05 0.00 0.00 175.02 177.44 1m4q s ASN 54 N -1.62 -0.03 -0.01 1.11 4.22 -0.38 -0.47 114.94 117.77 1m4q s ASN 54 Ca 0.47 -1.04 0.01 0.00 -2.14 0.00 0.00 52.86 50.17 1m4q s ASN 54 Cb -0.18 0.54 -0.00 0.00 1.28 0.00 0.00 41.25 42.89 1m4q s ASN 54 CO 0.23 -1.07 -0.04 -0.76 -2.04 0.00 0.00 177.10 173.42 1m4q s LEU 55 N -3.05 1.93 -0.04 3.54 1.43 -0.88 -0.97 118.68 120.64 1m4q s LEU 55 Ca 0.26 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1m4q s LEU 55 Cb 0.01 -0.23 0.01 0.00 0.03 0.00 0.00 46.19 46.02 1m4q s LEU 55 CO 0.10 0.04 0.20 0.28 0.23 0.00 0.00 176.35 177.19 1m4q s THR 56 N 0.01 0.04 0.00 5.49 -1.32 -0.76 -2.20 115.64 116.91 1m4q s THR 56 Ca 0.00 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1m4q s THR 56 Cb -0.03 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 1m4q s THR 56 CO -0.00 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.82 1m4q n GLY 57 N 2.09 0.89 2.76 6.08 0.00 -0.82 0.12 105.19 116.31 1m4q n GLY 57 Ca -0.18 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 1.07 -0.30 -0.02 2.61 -4.23 -1.15 -2.24 115.64 111.38 1m4q s THR 58 Ca 0.00 -0.05 -0.17 0.00 -1.18 0.00 0.00 61.69 60.29 1m4q s THR 58 Cb 0.00 -0.62 -0.05 0.00 1.34 0.00 0.00 72.50 73.17 1m4q s THR 58 CO 0.00 -0.16 0.46 -0.63 -0.54 0.00 0.00 174.62 173.75 1m4q s ILE 59 N 2.31 5.02 -0.13 2.99 1.01 0.26 -4.66 121.20 128.00 1m4q s ILE 59 Ca 0.06 0.95 -0.29 0.00 0.00 0.00 0.00 60.65 61.37 1m4q s ILE 59 Cb -0.15 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1m4q s ILE 59 CO -0.11 0.50 1.70 -2.16 0.00 0.00 0.00 174.94 174.87 1m4q s PRO 60 N -0.56 3.94 -0.31 2.79 0.04 -1.26 -0.89 135.00 138.75 1m4q s PRO 60 Ca 0.25 1.99 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1m4q s PRO 60 Cb -0.17 -4.05 0.04 0.00 0.04 0.00 0.00 34.50 30.37 1m4q s PRO 60 CO 0.14 -1.13 0.04 0.08 0.04 0.00 0.00 177.00 176.16 1m4q s VAL 61 N 4.87 3.38 0.49 -0.36 1.01 0.28 -4.92 120.40 125.15 1m4q s VAL 61 Ca 0.76 -1.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 1m4q s VAL 61 Cb -0.30 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1m4q s VAL 61 CO 0.31 -0.09 1.16 -2.16 0.00 0.00 0.00 175.10 174.31 1m4q s PRO 62 N 1.34 3.60 -0.08 2.72 0.04 -1.26 -1.09 135.00 140.27 1m4q s PRO 62 Ca -0.03 1.74 0.19 0.00 0.04 0.00 0.00 61.00 62.94 1m4q s PRO 62 Cb -0.19 -2.27 0.40 0.00 0.04 0.00 0.00 34.50 32.49 1m4q s PRO 62 CO 0.01 -0.68 1.18 0.98 0.04 0.00 0.00 177.00 178.53 1m4q n TYR 63 N -0.78 0.00 -2.21 0.56 9.36 0.08 -4.53 117.16 119.64 1m4q n TYR 63 Ca 0.09 -0.88 -0.01 0.00 3.32 0.00 0.00 57.90 60.43 1m4q n TYR 63 Cb 0.49 -0.18 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 1m4q n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1m4q n ARG 64 N -0.20 -0.70 0.00 2.98 5.12 -1.26 -4.52 116.66 118.08 1m4q n ARG 64 Ca 0.11 1.02 0.00 0.00 -1.93 0.00 0.00 57.85 57.05 1m4q n ARG 64 Cb 0.94 -3.49 0.00 0.00 -1.16 0.00 0.00 32.46 28.75 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m4q n GLY 65 N -1.20 1.36 2.18 -0.13 0.00 -1.26 -5.08 105.19 101.05 1m4q n GLY 65 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1m4q n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m4q n ASN 66 N 0.00 -0.53 -3.65 1.61 3.02 -1.26 -5.17 115.26 109.28 1m4q n ASN 66 Ca 0.00 -2.46 -0.02 0.00 -0.03 0.00 0.00 54.58 52.07 1m4q n ASN 66 Cb 0.00 1.20 -0.05 0.00 -0.61 0.00 0.00 39.78 40.32 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1m4q s THR 67 N -2.89 -0.90 0.28 3.41 2.01 -1.26 -0.75 115.64 115.54 1m4q s THR 67 Ca 0.26 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1m4q s THR 67 Cb 0.01 -0.96 0.05 0.00 0.01 0.00 0.00 72.50 71.61 1m4q s THR 67 CO 0.18 0.01 0.39 -1.22 -0.69 0.00 0.00 174.62 173.29 1m4q n TYR 68 N 5.38 -2.84 -3.95 4.92 4.02 -0.25 -4.77 117.16 119.67 1m4q n TYR 68 Ca -0.12 -0.89 -0.31 0.00 -0.01 0.00 0.00 57.90 56.56 1m4q n TYR 68 Cb 0.50 -0.27 -0.14 0.00 -0.02 0.00 0.00 39.34 39.41 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 -2.67 4.56 0.06 7.72 0.01 -1.26 -0.55 114.94 122.80 1m4q s ASN 69 Ca 0.28 -2.71 -0.31 0.00 -0.71 0.00 0.00 52.86 49.42 1m4q s ASN 69 Cb -0.02 -1.66 -0.06 0.00 0.41 0.00 0.00 41.25 39.92 1m4q s ASN 69 CO 0.18 -0.30 1.20 -0.51 -1.51 0.00 0.00 177.10 176.16 1m4q s ILE 70 N 0.14 4.04 0.42 0.60 1.10 -0.07 -4.70 121.20 122.73 1m4q s ILE 70 Ca 0.15 1.46 -0.23 0.00 -0.51 0.00 0.00 60.65 61.52 1m4q s ILE 70 Cb -0.23 -3.94 -0.09 0.00 0.15 0.00 0.00 42.46 38.36 1m4q s ILE 70 CO -0.03 0.11 1.08 -2.16 -2.11 0.00 0.00 174.94 171.83 1m4q s PRO 71 N 1.09 4.03 -0.01 3.50 0.04 -1.26 -0.57 135.00 141.83 1m4q s PRO 71 Ca 0.59 1.56 -0.07 0.00 0.04 0.00 0.00 61.00 63.12 1m4q s PRO 71 Cb -0.29 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1m4q s PRO 71 CO 0.29 -0.27 0.14 0.42 0.04 0.00 0.00 177.00 177.63 1m4q s ILE 72 N -1.66 0.07 -0.29 0.56 -1.09 -0.95 -4.51 121.20 113.33 1m4q s ILE 72 Ca 0.60 -0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 1m4q s ILE 72 Cb -0.23 -0.41 0.18 0.00 -1.58 0.00 0.00 42.46 40.42 1m4q s ILE 72 CO 0.29 -0.33 0.57 0.00 -1.23 0.00 0.00 174.94 174.23 1m4q s LEU 74 N 2.82 2.04 0.82 0.00 2.34 -0.93 0.10 118.68 125.87 1m4q s LEU 74 Ca 0.19 -0.12 -0.12 0.00 0.06 0.00 0.00 54.13 54.14 1m4q s LEU 74 Cb -0.15 -0.15 0.09 0.00 -0.56 0.00 0.00 46.19 45.41 1m4q s LEU 74 CO -0.21 0.00 1.18 0.26 -1.06 0.00 0.00 176.35 176.53 1m4q s TRP 75 N -0.26 2.90 -0.25 3.48 0.52 -1.07 -2.06 118.94 122.19 1m4q s TRP 75 Ca -0.01 0.74 -0.03 0.00 0.02 0.00 0.00 56.10 56.83 1m4q s TRP 75 Cb -0.02 -3.51 0.11 0.00 -1.15 0.00 0.00 33.47 28.89 1m4q s TRP 75 CO -0.00 -1.83 0.22 -1.17 0.02 0.00 0.00 176.95 174.19 1m4q s LEU 76 N -5.61 0.04 1.07 2.99 2.96 0.38 -4.69 118.68 115.83 1m4q s LEU 76 Ca 0.62 -0.72 -0.15 0.00 -0.22 0.00 0.00 54.13 53.66 1m4q s LEU 76 Cb -0.11 0.20 0.22 0.00 0.50 0.00 0.00 46.19 47.00 1m4q s LEU 76 CO 0.49 -0.38 1.11 -0.76 -1.32 0.00 0.00 176.35 175.49 1m4q s LEU 77 N 2.27 1.29 0.06 -0.68 1.02 -1.26 -3.80 118.68 117.58 1m4q s LEU 77 Ca 0.08 0.93 -0.25 0.00 0.02 0.00 0.00 54.13 54.91 1m4q s LEU 77 Cb -0.15 -2.94 -0.17 0.00 0.02 0.00 0.00 46.19 42.95 1m4q s LEU 77 CO -0.26 -3.47 1.60 0.44 0.02 0.00 0.00 176.35 174.68 1m4q h ASP 78 N -2.13 -0.13 0.00 2.29 5.19 -1.97 -3.44 116.42 116.23 1m4q h ASP 78 Ca -0.51 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 55.81 1m4q h ASP 78 Cb 1.32 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.86 1m4q h ASP 78 CO 0.49 0.01 -0.00 1.07 -3.12 0.00 0.00 179.24 177.69 1m4q n THR 79 N -5.11 0.00 -4.39 0.35 5.66 -1.26 -4.33 114.28 105.21 1m4q n THR 79 Ca -0.08 -0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.69 1m4q n THR 79 Cb 0.13 0.42 -0.16 0.00 -1.55 0.00 0.00 70.33 69.17 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 1.10 -0.01 1.09 5.04 -1.26 -3.87 117.35 119.44 1m4q s TYR 80 Ca 0.00 -0.36 0.15 0.00 -2.44 0.00 0.00 57.07 54.41 1m4q s TYR 80 Cb 0.00 -0.85 0.21 0.00 0.35 0.00 0.00 41.96 41.67 1m4q s TYR 80 CO -0.00 -0.22 1.51 -1.00 -1.34 0.00 0.00 175.55 174.50 1m4q h PRO 81 N 6.99 0.00 0.00 4.97 0.13 -2.01 -3.43 132.00 138.66 1m4q h PRO 81 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1m4q h PRO 81 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1m4q h PRO 81 CO 0.48 0.55 0.00 0.98 -0.23 0.00 0.00 178.00 179.78 1m4q n TYR 82 N -3.35 0.00 -3.93 1.56 9.36 -1.25 -5.15 117.16 114.40 1m4q n TYR 82 Ca 0.01 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.14 1m4q n TYR 82 Cb 0.70 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.34 1m4q n TYR 82 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1m4q s ASN 83 N -1.06 0.09 -0.42 2.98 -0.87 -1.26 -4.89 114.94 109.51 1m4q s ASN 83 Ca 0.00 -0.80 -0.29 0.00 -1.57 0.00 0.00 52.86 50.19 1m4q s ASN 83 Cb 0.00 0.39 -0.09 0.00 -0.02 0.00 0.00 41.25 41.53 1m4q s ASN 83 CO 0.00 -0.81 2.33 -0.81 -2.57 0.00 0.00 177.10 175.24 1m4q n PRO 84 N -0.14 1.23 0.00 -0.60 -0.04 -1.26 -4.84 135.00 129.35 1m4q n PRO 84 Ca -0.10 0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 63.37 1m4q n PRO 84 Cb 0.63 -2.96 -0.14 0.00 -0.04 0.00 0.00 33.50 30.99 1m4q n PRO 84 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1m4q h PRO 85 N 15.76 0.23 -6.41 0.54 0.13 -1.88 -3.46 132.00 136.91 1m4q h PRO 85 Ca -0.28 -0.39 -0.53 0.00 -0.87 0.00 0.00 66.00 63.93 1m4q h PRO 85 Cb 1.28 0.14 0.02 0.00 0.13 0.00 0.00 31.00 32.57 1m4q h PRO 85 CO 1.08 1.18 1.12 0.42 -0.23 0.00 0.00 178.00 181.58 1m4q s ILE 86 N -2.47 2.98 -0.08 -3.56 -1.09 -1.26 -4.96 121.20 110.76 1m4q s ILE 86 Ca -0.20 0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.42 1m4q s ILE 86 Cb 0.04 -3.16 0.04 0.00 -1.58 0.00 0.00 42.46 37.81 1m4q s ILE 86 CO 0.76 -0.01 0.19 0.00 -1.23 0.00 0.00 174.94 174.64 1m4q n PHE 88 N 4.18 -0.07 -3.84 0.00 3.72 0.29 -2.35 117.46 119.39 1m4q n PHE 88 Ca -0.26 -0.26 -0.12 0.00 -0.05 0.00 0.00 57.45 56.77 1m4q n PHE 88 Cb 0.52 0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.98 1m4q n PHE 88 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1m4q s VAL 89 N -2.09 0.04 -0.48 -4.37 0.11 -1.02 -1.06 120.40 111.53 1m4q s VAL 89 Ca 0.04 -0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 58.59 1m4q s VAL 89 Cb 0.00 -0.33 0.07 0.00 -1.53 0.00 0.00 36.38 34.59 1m4q s VAL 89 CO 0.02 -0.18 0.45 -0.54 -3.33 0.00 0.00 175.10 171.52 1m4q s LYS 90 N -0.63 3.01 -0.16 1.54 1.02 -1.26 -4.71 119.74 118.54 1m4q s LYS 90 Ca -0.07 -1.25 -0.22 0.00 0.02 0.00 0.00 55.97 54.44 1m4q s LYS 90 Cb -0.04 -4.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.11 1m4q s LYS 90 CO 0.01 -1.07 0.68 -1.25 -0.92 0.00 0.00 175.35 172.80 1m4q s PRO 91 N 1.86 4.28 0.71 -1.68 0.04 -1.26 -4.78 135.00 134.17 1m4q s PRO 91 Ca 0.06 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 1m4q s PRO 91 Cb -0.23 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.77 1m4q s PRO 91 CO 0.08 -0.19 1.08 0.95 0.04 0.00 0.00 177.00 178.96 1m4q s THR 92 N 1.71 3.66 0.24 1.26 -4.23 -1.26 -4.91 115.64 112.11 1m4q s THR 92 Ca 0.32 0.54 -0.05 0.00 -1.18 0.00 0.00 61.69 61.33 1m4q s THR 92 Cb -0.16 -3.47 0.21 0.00 1.34 0.00 0.00 72.50 70.41 1m4q s THR 92 CO 0.12 -0.70 1.80 0.28 -0.54 0.00 0.00 174.62 175.58 1m4q h SER 93 N -0.67 0.62 -0.01 3.99 0.02 -2.06 0.10 113.55 115.54 1m4q h SER 93 Ca -0.45 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1m4q h SER 93 Cb 1.24 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1m4q h SER 93 CO 0.62 0.35 0.00 -0.24 -1.14 0.00 0.00 176.83 176.42 1m4q n SER 94 N -4.78 0.34 -4.95 3.07 2.88 -1.26 -4.85 113.62 104.06 1m4q n SER 94 Ca 0.13 -1.14 -0.23 0.00 -1.33 0.00 0.00 58.87 56.30 1m4q n SER 94 Cb 0.29 -0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.76 1m4q n SER 94 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1m4q s MET 95 N -2.00 3.02 -0.11 -1.46 0.00 0.36 -3.10 119.30 116.01 1m4q s MET 95 Ca 0.44 -0.50 -0.03 0.00 0.00 0.00 0.00 55.69 55.61 1m4q s MET 95 Cb 0.21 -2.54 0.04 0.00 0.00 0.00 0.00 34.83 32.54 1m4q s MET 95 CO 0.35 -0.32 0.05 0.99 0.00 0.00 0.00 175.02 176.09 1m4q s THR 96 N -2.59 0.15 0.13 10.11 2.01 -1.18 -4.79 115.64 119.48 1m4q s THR 96 Ca 0.49 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 62.22 1m4q s THR 96 Cb -0.10 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 71.82 1m4q s THR 96 CO 0.38 0.03 1.30 -0.63 -0.69 0.00 0.00 174.62 175.01 1m4q s ILE 97 N 2.05 3.50 -0.25 1.82 1.01 -1.26 -2.22 121.20 125.85 1m4q s ILE 97 Ca 0.03 1.13 -0.06 0.00 0.00 0.00 0.00 60.65 61.75 1m4q s ILE 97 Cb -0.14 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1m4q s ILE 97 CO -0.06 0.12 0.04 -0.75 0.00 0.00 0.00 174.94 174.29 1m4q s LYS 98 N 0.64 3.51 0.18 2.79 2.36 0.11 -4.93 119.74 124.41 1m4q s LYS 98 Ca 0.60 -0.56 -0.30 0.00 -2.55 0.00 0.00 55.97 53.15 1m4q s LYS 98 Cb -0.34 -3.24 -0.09 0.00 -1.05 0.00 0.00 37.83 33.11 1m4q s LYS 98 CO 0.33 -0.22 1.33 0.95 1.55 0.00 0.00 175.35 179.29 1m4q s THR 99 N 1.56 3.23 0.16 3.43 -4.23 -1.26 -4.55 115.64 113.99 1m4q s THR 99 Ca 0.06 0.98 -0.13 0.00 -1.18 0.00 0.00 61.69 61.41 1m4q s THR 99 Cb -0.15 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.11 1m4q s THR 99 CO 0.02 0.13 0.66 0.61 -0.54 0.00 0.00 174.62 175.50 1m4q n GLY 100 N 2.62 0.95 0.35 3.99 0.00 0.05 -4.94 105.19 108.22 1m4q n GLY 100 Ca 0.07 -1.10 0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.99 -3.05 116.57 114.93 1m4q h LYS 101 Ca -0.20 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.25 1m4q h LYS 101 Cb 0.82 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1m4q h LYS 101 CO 0.26 0.00 -0.83 0.72 -1.08 0.00 0.00 179.45 178.52 1m4q n HIS 102 N -3.84 0.50 -2.94 -1.35 8.25 -1.26 -3.04 115.22 111.54 1m4q n HIS 102 Ca 0.04 0.22 -0.38 0.00 -0.26 0.00 0.00 57.72 57.33 1m4q n HIS 102 Cb 0.43 -0.68 -0.06 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.55 4.34 -0.10 1.59 1.01 -1.15 0.78 120.40 124.32 1m4q s VAL 103 Ca -0.22 1.69 -0.06 0.00 0.00 0.00 0.00 61.98 63.39 1m4q s VAL 103 Cb 0.04 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1m4q s VAL 103 CO 0.33 0.40 -0.11 0.44 0.00 0.00 0.00 175.10 176.16 1m4q h ASP 104 N 3.93 0.00 0.00 3.32 5.19 -1.71 0.18 116.42 127.34 1m4q h ASP 104 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1m4q h ASP 104 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1m4q h ASP 104 CO 0.66 0.54 0.00 0.00 -3.12 0.00 0.00 179.24 177.32 1m4q n ALA 105 N -3.19 0.00 1.04 3.45 0.00 -1.26 -4.61 120.51 115.94 1m4q n ALA 105 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1m4q n ALA 105 Cb 0.17 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.70 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 1.11 0.00 0.00 4.13 -1.26 -4.90 115.26 114.35 1m4q n ASN 106 Ca 0.00 -0.91 0.00 0.00 1.68 0.00 0.00 54.58 55.35 1m4q n ASN 106 Cb 0.00 0.55 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 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 1.45 1.76 3.76 7.41 0.00 -1.26 -4.92 105.19 113.40 1m4q n GLY 107 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.06 4.44 0.09 1.61 3.01 -1.26 -2.43 119.74 125.14 1m4q s LYS 108 Ca 0.00 2.08 -0.27 0.00 -1.01 0.00 0.00 55.97 56.76 1m4q s LYS 108 Cb 0.00 -3.13 -0.06 0.00 -1.01 0.00 0.00 37.83 33.64 1m4q s LYS 108 CO 0.00 -0.10 0.86 0.42 0.51 0.00 0.00 175.35 177.05 1m4q s ILE 109 N -0.90 4.57 -0.27 2.17 1.01 -0.99 -2.66 121.20 124.14 1m4q s ILE 109 Ca 0.49 1.86 -0.11 0.00 0.00 0.00 0.00 60.65 62.89 1m4q s ILE 109 Cb -0.37 -4.22 -0.14 0.00 0.01 0.00 0.00 42.46 37.74 1m4q s ILE 109 CO 0.47 0.36 -0.28 0.00 0.00 0.00 0.00 174.94 175.49 1m4q n TYR 110 N 2.66 0.09 -1.44 3.97 9.36 0.23 -4.86 117.16 127.17 1m4q n TYR 110 Ca -0.00 0.03 -0.47 0.00 3.32 0.00 0.00 57.90 60.78 1m4q n TYR 110 Cb 0.49 -1.01 -0.10 0.00 -0.63 0.00 0.00 39.34 38.10 1m4q n TYR 110 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1m4q n LEU 111 N -4.04 1.32 -4.55 2.98 -0.00 -1.17 -4.83 117.00 106.71 1m4q n LEU 111 Ca -0.51 0.22 -0.40 0.00 -0.00 0.00 0.00 56.01 55.32 1m4q n LEU 111 Cb 0.90 -1.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.15 1m4q n LEU 111 CO 0.10 -0.88 1.35 -2.16 -0.00 0.00 0.00 177.39 175.79 1m4q s PRO 112 N 7.43 3.00 0.14 1.96 0.04 -1.26 -4.85 135.00 141.46 1m4q s PRO 112 Ca 1.18 -0.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 1m4q s PRO 112 Cb -0.98 -4.36 -0.04 0.00 0.04 0.00 0.00 34.50 29.16 1m4q s PRO 112 CO 0.48 -2.40 1.48 1.88 0.04 0.00 0.00 177.00 178.48 1m4q h TYR 113 N 11.75 1.13 -0.11 0.56 0.05 -1.93 -2.64 116.97 125.78 1m4q h TYR 113 Ca -0.23 -0.33 -0.09 0.00 0.05 0.00 0.00 58.73 58.13 1m4q h TYR 113 Cb 1.08 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.59 1m4q h TYR 113 CO 1.11 1.16 -0.29 -0.07 -1.05 0.00 0.00 178.16 179.03 1m4q h LEU 114 N 0.77 0.44 -2.43 3.88 4.07 -1.93 -0.64 115.31 119.48 1m4q h LEU 114 Ca 0.07 -0.59 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1m4q h LEU 114 Cb 0.96 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1m4q h LEU 114 CO 0.09 0.95 0.00 -0.74 -1.08 0.00 0.00 178.44 177.67 1m4q h HIS 115 N -0.04 0.00 0.00 1.13 2.76 -1.96 -3.29 115.15 113.74 1m4q h HIS 115 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1m4q h HIS 115 Cb 0.90 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.86 1m4q h HIS 115 CO 0.11 0.00 -0.14 -1.91 -1.30 0.00 0.00 177.93 174.69 1m4q n GLU 116 N -2.98 0.09 0.00 5.26 2.13 -1.00 -4.97 120.64 119.17 1m4q n GLU 116 Ca -0.02 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1m4q n GLU 116 Cb 0.13 -0.79 0.00 0.00 0.27 0.00 0.00 31.44 31.05 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 -2.78 0.00 -3.38 4.31 -0.00 -0.26 -4.94 117.44 110.39 1m4q n TRP 117 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.50 57.30 1m4q n TRP 117 Cb 0.07 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.43 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 -1.71 0.06 5.87 4.81 -1.24 -4.94 118.16 121.01 1m4q n LYS 118 Ca 0.00 0.86 -0.13 0.00 -0.87 0.00 0.00 58.31 58.17 1m4q n LYS 118 Cb 0.00 -5.10 -0.03 0.00 0.02 0.00 0.00 35.03 29.92 1m4q n LYS 118 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1m4q h HIS 119 N -1.00 0.63 0.20 5.64 2.76 -1.92 -3.47 115.15 118.00 1m4q h HIS 119 Ca -0.51 -0.33 -0.01 0.00 -2.20 0.00 0.00 60.37 57.32 1m4q h HIS 119 Cb 1.27 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1m4q h HIS 119 CO 0.29 1.14 -0.09 -1.00 -1.30 0.00 0.00 177.93 176.96 1m4q h PRO 120 N 0.26 -0.25 0.00 5.26 0.13 -2.02 -3.50 132.00 131.87 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 1.52 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.70 1m4q h PRO 120 CO 0.16 0.14 0.00 1.04 -0.23 0.00 0.00 178.00 179.11 1m4q n GLN 121 N -4.99 0.00 -2.98 0.86 1.13 -1.26 -4.83 117.38 105.31 1m4q n GLN 121 Ca -0.08 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.65 1m4q n GLN 121 Cb 0.26 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.55 1m4q n GLN 121 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1m4q s SER 122 N 0.00 6.78 0.53 1.08 0.15 -1.26 -5.08 113.70 115.90 1m4q s SER 122 Ca 0.00 1.39 0.02 0.00 0.70 0.00 0.00 55.95 58.06 1m4q s SER 122 Cb 0.00 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.91 1m4q s SER 122 CO 0.00 -0.29 0.17 0.47 1.20 0.00 0.00 173.24 174.79 1m4q n ASP 123 N -0.62 3.15 -0.34 5.45 8.00 -1.26 -4.91 116.55 126.02 1m4q n ASP 123 Ca 0.04 -3.11 0.21 0.00 0.71 0.00 0.00 54.79 52.64 1m4q n ASP 123 Cb 0.53 0.19 0.44 0.00 -0.02 0.00 0.00 41.12 42.27 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1m4q h LEU 124 N 0.00 0.59 -0.25 0.64 5.85 -1.98 0.27 115.31 120.42 1m4q h LEU 124 Ca -0.40 0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1m4q h LEU 124 Cb 1.29 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 1m4q h LEU 124 CO 0.64 0.01 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.53 1m4q h LEU 125 N 0.46 0.56 -1.49 2.25 4.07 -1.95 -3.04 115.31 116.17 1m4q h LEU 125 Ca 0.68 -0.42 -0.05 0.00 0.08 0.00 0.00 57.88 58.16 1m4q h LEU 125 Cb 1.46 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 1m4q h LEU 125 CO -0.50 0.86 -0.26 1.23 -1.08 0.00 0.00 178.44 178.69 1m4q h GLY 126 N 0.26 0.00 0.76 0.83 0.00 -1.00 -3.00 103.07 100.93 1m4q h GLY 126 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1m4q h GLY 126 CO 0.04 0.00 -0.49 -2.00 0.00 0.00 0.00 176.54 174.10 1m4q h LEU 127 N 0.00 -1.24 -1.99 3.11 6.46 -0.58 -2.33 115.31 118.75 1m4q h LEU 127 Ca -0.00 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1m4q h LEU 127 Cb 0.52 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1m4q h LEU 127 CO 0.03 -0.74 0.17 0.40 -0.62 0.00 0.00 178.44 177.69 1m4q h ILE 128 N -1.17 0.89 -0.79 4.05 5.03 -1.57 -1.47 117.51 122.47 1m4q h ILE 128 Ca -0.10 -0.01 0.05 0.00 -0.12 0.00 0.00 64.86 64.68 1m4q h ILE 128 Cb 0.95 0.87 -0.06 0.00 -3.03 0.00 0.00 36.82 35.55 1m4q h ILE 128 CO 0.09 0.00 0.48 -0.61 -0.68 0.00 0.00 178.15 177.44 1m4q h GLN 129 N 0.02 0.87 -0.14 2.37 -0.00 -1.28 0.75 115.11 117.70 1m4q h GLN 129 Ca 0.11 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.70 1m4q h GLN 129 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.70 1m4q h GLN 129 CO -0.00 0.57 0.03 0.28 0.00 0.00 0.00 178.83 179.71 1m4q h VAL 130 N 0.90 1.20 -0.47 2.39 2.07 -0.94 -0.49 116.25 120.91 1m4q h VAL 130 Ca 0.34 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1m4q h VAL 130 Cb 0.13 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1m4q h VAL 130 CO -0.16 0.19 0.31 -0.03 0.02 0.00 0.00 177.57 177.90 1m4q h MET 131 N 0.02 0.47 -0.31 1.57 1.85 -1.33 0.11 114.93 117.31 1m4q h MET 131 Ca 0.04 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 58.95 1m4q h MET 131 Cb 0.26 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 1m4q h MET 131 CO 0.00 0.31 -0.43 0.82 -0.40 0.00 0.00 176.91 177.20 1m4q h ILE 132 N 0.48 1.29 0.15 1.77 2.04 -0.43 -0.20 117.51 122.61 1m4q h ILE 132 Ca 0.19 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1m4q h ILE 132 Cb 0.17 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1m4q h ILE 132 CO -0.05 0.53 -0.07 0.58 0.00 0.00 0.00 178.15 179.13 1m4q h VAL 133 N 0.62 0.97 0.12 1.67 2.07 0.42 0.22 116.25 122.35 1m4q h VAL 133 Ca 0.04 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1m4q h VAL 133 Cb 1.00 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1m4q h VAL 133 CO 0.10 0.14 -0.07 0.58 0.02 0.00 0.00 177.57 178.34 1m4q h VAL 134 N -0.51 0.85 0.00 2.57 2.07 -1.06 -1.89 116.25 118.28 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 0.39 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1m4q h VAL 134 CO 0.03 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.36 1m4q h PHE 135 N -0.18 0.00 -0.87 1.57 0.04 -1.05 0.18 116.94 116.63 1m4q h PHE 135 Ca -0.01 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.78 1m4q h PHE 135 Cb 0.15 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 1m4q h PHE 135 CO -0.08 0.00 0.57 0.78 -0.60 0.00 0.00 178.31 178.98 1m4q h GLY 136 N 1.31 1.25 0.00 -1.45 0.00 0.31 -3.34 103.07 101.15 1m4q h GLY 136 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 47.33 46.67 1m4q h GLY 136 CO 0.00 0.40 -1.82 1.22 0.00 0.00 0.00 176.54 176.34 1m4q n ASP 137 N -4.52 2.76 -4.51 0.19 9.92 -1.12 -4.43 116.55 114.85 1m4q n ASP 137 Ca 0.10 -0.06 -0.43 0.00 -0.53 0.00 0.00 54.79 53.87 1m4q n ASP 137 Cb 0.06 -0.24 -0.05 0.00 -0.64 0.00 0.00 41.12 40.25 1m4q n ASP 137 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1m4q s GLU 138 N -2.29 3.30 -0.32 -1.24 2.02 0.62 -5.01 118.70 115.78 1m4q s GLU 138 Ca -0.20 -0.36 -0.29 0.00 0.02 0.00 0.00 54.97 54.15 1m4q s GLU 138 Cb 0.05 -4.04 -0.01 0.00 0.10 0.00 0.00 34.13 30.23 1m4q s GLU 138 CO 0.33 -1.37 1.67 -1.25 0.02 0.00 0.00 175.26 174.66 1m4q s PRO 139 N 3.57 3.49 0.10 0.39 0.04 -1.26 -3.99 135.00 137.34 1m4q s PRO 139 Ca 0.27 1.37 0.11 0.00 0.04 0.00 0.00 61.00 62.79 1m4q s PRO 139 Cb -0.14 -4.12 -0.16 0.00 0.04 0.00 0.00 34.50 30.12 1m4q s PRO 139 CO 0.18 -1.67 1.12 -1.00 0.04 0.00 0.00 177.00 175.68 1m4q h PRO 140 N 11.91 0.00 -1.38 0.56 0.13 -1.86 -3.44 132.00 137.92 1m4q h PRO 140 Ca -0.32 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.60 1m4q h PRO 140 Cb 1.15 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.05 1m4q h PRO 140 CO 1.04 0.73 -0.57 0.54 -0.23 0.00 0.00 178.00 179.51 1m4q s VAL 141 N -2.75 -0.70 -0.11 1.56 0.11 -1.26 -0.71 120.40 116.54 1m4q s VAL 141 Ca -0.00 -0.69 -0.20 0.00 -2.93 0.00 0.00 61.98 58.16 1m4q s VAL 141 Cb 0.09 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1m4q s VAL 141 CO 0.81 -0.27 0.55 0.72 -3.33 0.00 0.00 175.10 173.58 1m4q s PHE 142 N 1.39 3.52 0.55 1.54 -0.71 -0.94 -4.71 117.98 118.62 1m4q s PHE 142 Ca 0.20 0.99 -0.03 0.00 -1.04 0.00 0.00 56.93 57.05 1m4q s PHE 142 Cb -0.06 -2.64 0.01 0.00 -1.21 0.00 0.00 43.02 39.12 1m4q s PHE 142 CO -0.06 0.12 0.83 0.45 -1.34 0.00 0.00 175.22 175.22 1m4q s SER 143 N 0.71 5.58 0.32 1.98 0.15 -1.26 -3.11 113.70 118.07 1m4q s SER 143 Ca 0.29 0.50 -0.28 0.00 0.70 0.00 0.00 55.95 57.17 1m4q s SER 143 Cb -0.16 -1.54 -0.09 0.00 -1.71 0.00 0.00 66.02 62.52 1m4q s SER 143 CO 0.13 -1.00 1.06 0.00 1.20 0.00 0.00 173.24 174.63 1m4q s ARG 144 N -4.85 4.51 0.00 5.44 1.70 -1.18 -4.90 118.95 119.67 1m4q s ARG 144 Ca 0.53 1.65 0.20 0.00 -0.47 0.00 0.00 55.73 57.64 1m4q s ARG 144 Cb -0.10 -2.97 1.19 0.00 -0.57 0.00 0.00 34.95 32.49 1m4q s ARG 144 CO 0.42 0.14 1.58 -0.35 -1.08 0.00 0.00 175.30 176.01