#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 1.60 -0.02 0.00 3.14 -1.26 -3.85 118.33 117.93 1m4q n VAL 3 Ca 0.00 -0.78 -0.16 0.00 -2.96 0.00 0.00 64.34 60.44 1m4q n VAL 3 Cb 0.00 -1.06 -0.13 0.00 -1.06 0.00 0.00 33.84 31.59 1m4q n VAL 3 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1m4q h SER 4 N 0.01 0.20 -0.62 6.55 0.02 -2.05 -3.16 113.55 114.50 1m4q h SER 4 Ca -0.35 -0.94 0.11 0.00 -0.84 0.00 0.00 61.79 59.77 1m4q h SER 4 Cb 2.05 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 64.44 1m4q h SER 4 CO 0.07 1.12 0.18 -0.33 -1.14 0.00 0.00 176.83 176.73 1m4q h GLU 5 N -0.68 0.32 -0.73 3.45 4.39 -2.00 0.10 114.58 119.43 1m4q h GLU 5 Ca -0.05 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1m4q h GLU 5 Cb 1.22 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.76 1m4q h GLU 5 CO 0.06 0.21 0.48 1.03 -1.16 0.00 0.00 179.01 179.63 1m4q h SER 6 N 0.33 0.84 0.37 1.42 0.87 -1.68 -1.36 113.55 114.34 1m4q h SER 6 Ca 0.33 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.74 1m4q h SER 6 Cb 0.46 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1m4q h SER 6 CO -0.37 0.61 -0.50 -0.61 -0.53 0.00 0.00 176.83 175.43 1m4q h GLN 7 N 0.99 0.16 0.57 2.24 5.75 -0.89 -3.06 115.11 120.87 1m4q h GLN 7 Ca 0.27 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 1m4q h GLN 7 Cb -0.10 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.45 1m4q h GLN 7 CO -0.06 0.63 -0.30 1.25 -2.65 0.00 0.00 178.83 177.70 1m4q h LEU 8 N 0.13 -0.74 -0.60 -2.39 5.85 0.25 0.73 115.31 118.54 1m4q h LEU 8 Ca 0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1m4q h LEU 8 Cb 0.93 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 1m4q h LEU 8 CO 0.07 -0.50 0.23 0.50 -0.34 0.00 0.00 178.44 178.41 1m4q h LYS 9 N -0.81 0.40 0.00 1.25 3.64 -1.53 0.12 116.57 119.64 1m4q h LYS 9 Ca -0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1m4q h LYS 9 Cb 0.64 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1m4q h LYS 9 CO 0.11 0.27 -0.07 0.87 -2.27 0.00 0.00 179.45 178.35 1m4q h LYS 10 N 0.42 0.00 0.00 1.90 1.57 -1.41 -3.00 116.57 116.04 1m4q h LYS 10 Ca 0.30 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1m4q h LYS 10 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1m4q h LYS 10 CO -0.29 0.07 -0.11 1.98 -0.57 0.00 0.00 179.45 180.52 1m4q h MET 11 N 0.00 0.00 0.00 3.15 4.05 0.32 -3.38 114.93 119.08 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 0.71 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 1m4q h MET 11 CO 0.01 0.11 0.00 1.33 0.23 0.00 0.00 176.91 178.59 1m4q n VAL 12 N -3.92 0.00 0.00 -5.77 0.24 -1.14 -4.92 118.33 102.82 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 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 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 -0.85 0.00 0.00 -1.34 2.88 -1.19 -4.40 113.62 108.72 1m4q n SER 13 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1m4q n SER 13 Cb 0.00 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 0.97 -2.20 -1.46 4.81 -1.26 -4.81 118.16 114.21 1m4q n LYS 14 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 1m4q n LYS 14 Cb 0.00 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 33.83 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 -2.00 2.70 0.45 5.64 1.51 -1.26 -4.91 117.35 119.48 1m4q s TYR 15 Ca 0.21 1.53 0.11 0.00 -1.01 0.00 0.00 57.07 57.90 1m4q s TYR 15 Cb 0.10 -3.38 1.02 0.00 -0.11 0.00 0.00 41.96 39.59 1m4q s TYR 15 CO 0.16 -1.70 2.09 -0.22 -1.11 0.00 0.00 175.55 174.77 1m4q h LYS 16 N 1.55 0.32 -2.01 -0.62 3.64 -1.88 -3.25 116.57 114.32 1m4q h LYS 16 Ca -0.50 -0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.32 1m4q h LYS 16 Cb 1.26 -0.07 -0.39 0.00 -0.41 0.00 0.00 32.23 32.62 1m4q h LYS 16 CO 0.58 0.22 -1.11 0.66 -2.27 0.00 0.00 179.45 177.52 1m4q n TYR 17 N -4.50 -0.16 -0.18 1.91 4.01 -1.26 -4.97 117.16 112.01 1m4q n TYR 17 Ca 0.01 -3.62 -0.04 0.00 -0.16 0.00 0.00 57.90 54.08 1m4q n TYR 17 Cb 0.07 -0.37 0.02 0.00 -0.31 0.00 0.00 39.34 38.76 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 3.81 -0.13 0.26 -0.72 2.43 -1.87 1.17 114.38 119.34 1m4q h ARG 18 Ca 0.08 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1m4q h ARG 18 Cb 0.89 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1m4q h ARG 18 CO 0.48 -0.08 -0.17 0.22 -1.51 0.00 0.00 179.97 178.91 1m4q h ASP 19 N -0.13 -0.42 0.38 -3.80 1.82 -1.93 0.61 116.42 112.94 1m4q h ASP 19 Ca 0.24 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.88 1m4q h ASP 19 Cb 0.51 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.65 1m4q h ASP 19 CO -0.62 -0.27 -0.10 0.25 -1.61 0.00 0.00 179.24 176.89 1m4q h LEU 20 N -0.42 0.00 0.08 2.28 5.85 -1.75 -1.78 115.31 119.56 1m4q h LEU 20 Ca -0.02 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 1m4q h LEU 20 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1m4q h LEU 20 CO 0.02 0.10 -0.73 0.74 -0.34 0.00 0.00 178.44 178.24 1m4q h THR 21 N 0.00 1.44 -0.65 1.05 2.02 0.20 -3.12 112.91 113.85 1m4q h THR 21 Ca -0.00 -2.41 0.03 0.00 0.77 0.00 0.00 66.41 64.79 1m4q h THR 21 Cb 0.32 3.06 -0.04 0.00 -1.74 0.00 0.00 68.15 69.75 1m4q h THR 21 CO 0.01 0.64 0.40 0.58 0.37 0.00 0.00 175.52 177.53 1m4q h VAL 22 N -0.62 1.08 -0.76 3.16 2.07 0.38 -1.40 116.25 120.17 1m4q h VAL 22 Ca -0.15 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1m4q h VAL 22 Cb 1.43 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1m4q h VAL 22 CO 0.05 0.14 0.50 -0.09 0.02 0.00 0.00 177.57 178.19 1m4q h ARG 23 N 0.79 0.98 -0.54 1.57 2.43 -1.46 -1.07 114.38 117.08 1m4q h ARG 23 Ca 0.26 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1m4q h ARG 23 Cb 0.02 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1m4q h ARG 23 CO -0.10 0.65 0.25 0.93 -1.51 0.00 0.00 179.97 180.18 1m4q h GLU 24 N 1.01 0.78 0.96 0.20 3.07 -1.33 0.04 114.58 119.30 1m4q h GLU 24 Ca 0.28 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1m4q h GLU 24 Cb -0.09 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1m4q h GLU 24 CO -0.07 0.65 -0.46 1.15 -1.40 0.00 0.00 179.01 178.87 1m4q h THR 25 N 0.72 0.04 -0.96 1.13 2.02 -0.81 -2.29 112.91 112.76 1m4q h THR 25 Ca 0.18 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 67.47 1m4q h THR 25 Cb 0.13 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.49 1m4q h THR 25 CO -0.02 0.00 0.59 -0.37 0.37 0.00 0.00 175.52 176.09 1m4q h VAL 26 N -1.31 0.87 -0.69 3.16 -1.51 -1.19 -1.40 116.25 114.18 1m4q h VAL 26 Ca -0.13 -0.31 0.07 0.00 -1.23 0.00 0.00 66.70 65.10 1m4q h VAL 26 Cb 0.99 -0.11 -0.06 0.00 -2.13 0.00 0.00 31.29 29.98 1m4q h VAL 26 CO 0.22 0.16 0.38 0.78 -1.23 0.00 0.00 177.57 177.88 1m4q h ASN 27 N 0.90 0.55 -0.06 4.19 4.21 -0.81 1.01 115.58 125.57 1m4q h ASN 27 Ca 0.49 0.04 -0.00 0.00 1.21 0.00 0.00 56.30 58.04 1m4q h ASN 27 Cb 0.54 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1m4q h ASN 27 CO -0.29 0.34 0.03 0.58 -1.29 0.00 0.00 177.43 176.80 1m4q h VAL 28 N 0.68 1.12 -0.16 2.81 2.07 -0.68 -0.81 116.25 121.29 1m4q h VAL 28 Ca 0.32 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.34 1m4q h VAL 28 Cb 0.23 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1m4q h VAL 28 CO -0.20 0.10 -0.58 0.16 0.02 0.00 0.00 177.57 177.06 1m4q h ILE 29 N -0.03 1.33 0.00 4.57 3.07 -1.12 0.49 117.51 125.83 1m4q h ILE 29 Ca 0.02 -1.86 -0.02 0.00 1.55 0.00 0.00 64.86 64.56 1m4q h ILE 29 Cb 0.13 1.84 -0.00 0.00 -0.27 0.00 0.00 36.82 38.52 1m4q h ILE 29 CO -0.00 0.57 -0.08 0.74 -1.05 0.00 0.00 178.15 178.33 1m4q h THR 30 N 0.38 0.25 0.00 0.16 2.02 0.12 0.89 112.91 116.73 1m4q h THR 30 Ca 0.00 -0.63 -0.38 0.00 0.77 0.00 0.00 66.41 66.16 1m4q h THR 30 Cb 1.12 1.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.97 1m4q h THR 30 CO 0.11 0.08 -2.38 -0.11 0.37 0.00 0.00 175.52 173.59 1m4q n LEU 31 N -3.27 2.49 -0.11 2.58 7.94 -0.32 -4.76 117.00 121.56 1m4q n LEU 31 Ca -0.00 0.05 -0.14 0.00 -1.11 0.00 0.00 56.01 54.81 1m4q n LEU 31 Cb 0.30 -0.79 -0.11 0.00 0.53 0.00 0.00 43.42 43.35 1m4q n LEU 31 CO 0.29 0.75 -1.20 -1.22 -1.11 0.00 0.00 177.39 174.90 1m4q n TYR 32 N -3.58 0.00 -2.47 1.96 4.01 0.17 -4.99 117.16 112.26 1m4q n TYR 32 Ca -0.45 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.13 1m4q n TYR 32 Cb 0.91 -0.85 -0.01 0.00 -0.31 0.00 0.00 39.34 39.08 1m4q n TYR 32 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1m4q n LYS 33 N -3.05 -2.15 -0.02 -0.72 2.85 0.31 -4.81 118.16 110.57 1m4q n LYS 33 Ca -0.37 0.74 0.01 0.00 -1.05 0.00 0.00 58.31 57.64 1m4q n LYS 33 Cb 0.95 -5.37 -0.06 0.00 -0.65 0.00 0.00 35.03 29.89 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 -1.91 3.11 -4.64 -5.58 8.00 -1.26 -5.02 116.55 109.25 1m4q n ASP 34 Ca -0.18 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.07 1m4q n ASP 34 Cb 0.64 1.09 0.11 0.00 -0.02 0.00 0.00 41.12 42.93 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 -3.99 2.91 -0.27 0.64 2.01 -1.26 -1.83 118.68 116.89 1m4q s LEU 35 Ca -0.03 -0.02 -0.00 0.00 0.01 0.00 0.00 54.13 54.08 1m4q s LEU 35 Cb 0.04 -2.37 0.15 0.00 0.01 0.00 0.00 46.19 44.02 1m4q s LEU 35 CO 0.33 -1.93 0.38 -0.75 1.01 0.00 0.00 176.35 175.40 1m4q s LYS 36 N -5.29 0.38 0.25 1.70 2.47 0.33 -4.85 119.74 114.74 1m4q s LYS 36 Ca 0.66 0.24 -0.31 0.00 -1.56 0.00 0.00 55.97 55.00 1m4q s LYS 36 Cb -0.07 -0.42 -0.12 0.00 -1.46 0.00 0.00 37.83 35.77 1m4q s LYS 36 CO 0.46 -0.89 1.65 -1.25 0.16 0.00 0.00 175.35 175.48 1m4q s PRO 37 N 2.52 4.12 0.04 4.03 0.04 -1.26 -0.81 135.00 143.68 1m4q s PRO 37 Ca 0.11 2.59 0.02 0.00 0.04 0.00 0.00 61.00 63.76 1m4q s PRO 37 Cb -0.14 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 1m4q s PRO 37 CO -0.25 -0.69 -0.08 0.14 0.04 0.00 0.00 177.00 176.16 1m4q s VAL 38 N 0.53 0.55 0.21 -0.36 -7.23 0.29 -4.92 120.40 109.47 1m4q s VAL 38 Ca 0.68 -1.12 -0.09 0.00 -1.81 0.00 0.00 61.98 59.64 1m4q s VAL 38 Cb -0.49 -0.66 -0.07 0.00 0.56 0.00 0.00 36.38 35.73 1m4q s VAL 38 CO 0.41 -0.40 0.52 -0.22 -0.31 0.00 0.00 175.10 175.10 1m4q s LEU 39 N -1.64 4.20 0.17 1.32 1.98 -1.26 0.78 118.68 124.23 1m4q s LEU 39 Ca -0.09 0.89 -0.19 0.00 -2.89 0.00 0.00 54.13 51.85 1m4q s LEU 39 Cb -0.09 -3.57 0.04 0.00 0.66 0.00 0.00 46.19 43.23 1m4q s LEU 39 CO 0.00 -0.03 0.53 -1.81 -1.89 0.00 0.00 176.35 173.15 1m4q s ASP 40 N -2.29 -0.36 -0.28 3.68 1.11 -0.87 -4.78 116.67 112.88 1m4q s ASP 40 Ca 0.45 -0.28 -0.20 0.00 0.18 0.00 0.00 52.55 52.70 1m4q s ASP 40 Cb -0.12 0.57 0.09 0.00 1.07 0.00 0.00 42.92 44.53 1m4q s ASP 40 CO 0.21 -0.99 0.78 -0.55 1.18 0.00 0.00 175.17 175.80 1m4q s SER 41 N -2.82 -0.77 0.06 0.27 0.15 -1.25 -1.26 113.70 108.09 1m4q s SER 41 Ca 0.05 1.32 0.02 0.00 0.70 0.00 0.00 55.95 58.04 1m4q s SER 41 Cb -0.01 1.33 -0.03 0.00 -1.71 0.00 0.00 66.02 65.60 1m4q s SER 41 CO -0.08 -0.22 -0.06 -0.47 1.20 0.00 0.00 173.24 173.61 1m4q s TYR 42 N 1.04 0.71 0.26 3.44 5.04 -1.19 -4.79 117.35 121.87 1m4q s TYR 42 Ca -0.05 -0.72 -0.19 0.00 -2.44 0.00 0.00 57.07 53.67 1m4q s TYR 42 Cb -0.05 -0.43 -0.09 0.00 0.35 0.00 0.00 41.96 41.75 1m4q s TYR 42 CO -0.11 -0.15 0.75 0.14 -1.34 0.00 0.00 175.55 174.84 1m4q s VAL 43 N -2.50 4.57 0.11 3.14 -7.23 -1.26 0.42 120.40 117.64 1m4q s VAL 43 Ca -0.00 1.24 0.00 0.00 -1.81 0.00 0.00 61.98 61.41 1m4q s VAL 43 Cb -0.02 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1m4q s VAL 43 CO -0.03 0.09 0.00 0.49 -0.31 0.00 0.00 175.10 175.34 1m4q n PHE 44 N 0.40 -1.60 -1.53 2.82 3.72 -1.11 -4.73 117.46 115.43 1m4q n PHE 44 Ca -0.00 0.27 -0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1m4q n PHE 44 Cb 0.52 0.89 -0.10 0.00 -0.94 0.00 0.00 39.48 39.85 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 -2.81 1.20 -1.91 4.37 4.13 -1.26 -3.01 115.26 115.97 1m4q n ASN 45 Ca 0.00 -1.89 -0.12 0.00 1.68 0.00 0.00 54.58 54.25 1m4q n ASN 45 Cb 0.00 -1.58 -0.03 0.00 -1.54 0.00 0.00 39.78 36.63 1m4q n ASN 45 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1m4q n ASP 46 N 17.87 -3.53 -0.22 6.41 8.00 -1.26 -3.51 116.55 140.31 1m4q n ASP 46 Ca 0.43 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.18 1m4q n ASP 46 Cb 0.44 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 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 -0.52 0.57 3.06 0.44 0.00 -1.16 -5.13 105.19 102.46 1m4q n GLY 47 Ca -0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.99 -0.80 0.36 1.61 0.01 -1.23 -4.85 113.70 107.81 1m4q s SER 48 Ca 0.00 0.50 -0.25 0.00 1.31 0.00 0.00 55.95 57.50 1m4q s SER 48 Cb 0.00 1.76 -0.13 0.00 0.21 0.00 0.00 66.02 67.86 1m4q s SER 48 CO 0.00 -0.28 0.80 -1.54 0.41 0.00 0.00 173.24 172.62 1m4q n SER 49 N 5.40 0.26 -4.18 2.44 3.41 -1.25 -2.77 113.62 116.94 1m4q n SER 49 Ca -0.01 1.04 -0.27 0.00 -0.26 0.00 0.00 58.87 59.37 1m4q n SER 49 Cb 0.51 -1.21 -0.16 0.00 -0.26 0.00 0.00 64.21 63.09 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 -1.62 1.90 -0.46 4.33 3.52 0.17 -4.86 118.95 121.94 1m4q s ARG 50 Ca 0.62 -0.69 -0.28 0.00 -0.13 0.00 0.00 55.73 55.25 1m4q s ARG 50 Cb -0.66 -1.67 -0.02 0.00 -1.56 0.00 0.00 34.95 31.05 1m4q s ARG 50 CO 0.58 0.31 1.77 -2.00 -0.81 0.00 0.00 175.30 175.15 1m4q s GLU 51 N -0.11 3.08 -0.15 5.12 2.56 -1.26 -3.15 118.70 124.79 1m4q s GLU 51 Ca -0.01 1.03 -0.04 0.00 0.00 0.00 0.00 54.97 55.94 1m4q s GLU 51 Cb -0.11 -4.25 0.07 0.00 2.00 0.00 0.00 34.13 31.84 1m4q s GLU 51 CO 0.02 -2.17 0.17 -0.51 -0.56 0.00 0.00 175.26 172.21 1m4q s LEU 52 N 7.57 0.01 0.75 2.70 1.43 -0.39 -4.95 118.68 125.80 1m4q s LEU 52 Ca 0.72 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.61 1m4q s LEU 52 Cb -0.17 0.20 0.07 0.00 0.03 0.00 0.00 46.19 46.31 1m4q s LEU 52 CO 0.28 -0.30 1.10 0.00 0.23 0.00 0.00 176.35 177.66 1m4q s MET 53 N 2.27 2.14 -0.07 1.70 0.23 -1.26 -2.05 119.30 122.25 1m4q s MET 53 Ca 0.04 -0.03 -0.17 0.00 -1.03 0.00 0.00 55.69 54.51 1m4q s MET 53 Cb -0.14 -2.06 0.04 0.00 -1.53 0.00 0.00 34.83 31.13 1m4q s MET 53 CO -0.09 -1.39 0.39 0.54 -2.03 0.00 0.00 175.02 172.44 1m4q s ASN 54 N -4.53 -0.34 -0.03 -1.18 4.22 0.23 -0.84 114.94 112.47 1m4q s ASN 54 Ca 0.61 0.45 -0.03 0.00 -2.14 0.00 0.00 52.86 51.74 1m4q s ASN 54 Cb -0.11 0.54 -0.04 0.00 1.28 0.00 0.00 41.25 42.93 1m4q s ASN 54 CO 0.47 -0.35 0.15 -0.76 -2.04 0.00 0.00 177.10 174.58 1m4q s LEU 55 N -0.72 4.27 -0.05 3.54 1.43 -0.96 0.11 118.68 126.30 1m4q s LEU 55 Ca -0.08 0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.27 1m4q s LEU 55 Cb -0.04 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.75 1m4q s LEU 55 CO 0.04 0.29 0.19 0.28 0.23 0.00 0.00 176.35 177.38 1m4q s THR 56 N -1.24 0.02 -3.36 5.49 -1.32 0.01 -3.17 115.64 112.07 1m4q s THR 56 Ca 0.24 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1m4q s THR 56 Cb -0.12 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1m4q s THR 56 CO 0.15 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1m4q n GLY 57 N 2.50 -0.59 2.85 6.08 0.00 -1.19 0.12 105.19 114.97 1m4q n GLY 57 Ca -0.16 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.88 -0.47 0.21 2.61 -4.23 -0.76 -2.40 115.64 106.72 1m4q s THR 58 Ca 0.00 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.33 1m4q s THR 58 Cb 0.00 -0.74 -0.07 0.00 1.34 0.00 0.00 72.50 73.03 1m4q s THR 58 CO 0.00 -0.15 0.54 0.27 -0.54 0.00 0.00 174.62 174.74 1m4q s ILE 59 N 2.44 4.92 -0.11 2.99 -4.36 -0.76 -4.74 121.20 121.60 1m4q s ILE 59 Ca 0.10 0.53 -0.29 0.00 -0.26 0.00 0.00 60.65 60.72 1m4q s ILE 59 Cb -0.15 -3.64 -0.05 0.00 1.25 0.00 0.00 42.46 39.87 1m4q s ILE 59 CO -0.14 -0.01 1.73 -2.16 0.24 0.00 0.00 174.94 174.60 1m4q s PRO 60 N -2.65 3.98 -0.31 0.37 0.04 -1.25 -1.62 135.00 133.55 1m4q s PRO 60 Ca 0.45 2.07 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 1m4q s PRO 60 Cb -0.12 -4.05 0.06 0.00 0.04 0.00 0.00 34.50 30.43 1m4q s PRO 60 CO 0.21 -1.09 0.02 0.08 0.04 0.00 0.00 177.00 176.25 1m4q s VAL 61 N 4.78 2.84 0.08 -0.36 1.01 0.20 -4.89 120.40 124.06 1m4q s VAL 61 Ca 0.77 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1m4q s VAL 61 Cb -0.32 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 1m4q s VAL 61 CO 0.31 -0.23 1.19 -2.16 0.00 0.00 0.00 175.10 174.22 1m4q s PRO 62 N 1.18 4.45 -0.33 2.72 0.04 -1.26 -0.36 135.00 141.43 1m4q s PRO 62 Ca -0.02 1.78 0.07 0.00 0.04 0.00 0.00 61.00 62.87 1m4q s PRO 62 Cb -0.20 -3.33 0.54 0.00 0.04 0.00 0.00 34.50 31.55 1m4q s PRO 62 CO -0.03 -0.22 1.56 0.98 0.04 0.00 0.00 177.00 179.33 1m4q n TYR 63 N 3.68 1.56 -2.14 0.56 9.36 -0.99 -4.43 117.16 124.76 1m4q n TYR 63 Ca 0.08 -1.71 -0.14 0.00 3.32 0.00 0.00 57.90 59.45 1m4q n TYR 63 Cb 0.46 -0.60 -0.01 0.00 -0.63 0.00 0.00 39.34 38.55 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 -1.12 -1.10 0.00 2.98 1.74 -1.26 -4.52 116.66 113.38 1m4q n ARG 64 Ca 0.40 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 1m4q n ARG 64 Cb 1.16 -4.98 0.00 0.00 -1.02 0.00 0.00 32.46 27.62 1m4q n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4q n GLY 65 N -1.05 -0.00 2.91 -0.13 0.00 -1.26 -5.13 105.19 100.52 1m4q n GLY 65 Ca -0.16 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.32 -0.05 -0.35 1.61 2.20 -1.26 -5.12 114.94 110.64 1m4q s ASN 66 Ca 0.00 0.29 -0.27 0.00 -0.94 0.00 0.00 52.86 51.94 1m4q s ASN 66 Cb 0.00 0.18 0.02 0.00 -2.00 0.00 0.00 41.25 39.44 1m4q s ASN 66 CO 0.00 -0.15 0.98 -0.89 -2.94 0.00 0.00 177.10 174.09 1m4q s THR 67 N 1.24 4.56 0.64 0.54 2.01 -1.26 -2.35 115.64 121.01 1m4q s THR 67 Ca -0.08 1.38 0.06 0.00 0.31 0.00 0.00 61.69 63.36 1m4q s THR 67 Cb -0.12 -4.36 0.11 0.00 0.01 0.00 0.00 72.50 68.15 1m4q s THR 67 CO -0.06 -0.52 0.88 -1.22 -0.69 0.00 0.00 174.62 173.02 1m4q n TYR 68 N 6.81 -2.51 -3.87 4.92 4.02 0.51 -4.74 117.16 122.29 1m4q n TYR 68 Ca 0.09 -2.01 -0.32 0.00 -0.01 0.00 0.00 57.90 55.65 1m4q n TYR 68 Cb 0.48 -0.62 -0.12 0.00 -0.02 0.00 0.00 39.34 39.06 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 -4.80 4.68 0.07 7.72 0.01 -1.26 0.58 114.94 121.95 1m4q s ASN 69 Ca 0.63 -3.11 -0.31 0.00 -0.71 0.00 0.00 52.86 49.37 1m4q s ASN 69 Cb -0.04 -1.71 -0.06 0.00 0.41 0.00 0.00 41.25 39.85 1m4q s ASN 69 CO 0.41 -0.25 1.24 -0.51 -1.51 0.00 0.00 177.10 176.48 1m4q s ILE 70 N -0.43 3.87 0.56 0.60 1.10 -0.64 -4.70 121.20 121.56 1m4q s ILE 70 Ca 0.18 1.35 -0.18 0.00 -0.51 0.00 0.00 60.65 61.49 1m4q s ILE 70 Cb -0.21 -3.86 -0.05 0.00 0.15 0.00 0.00 42.46 38.49 1m4q s ILE 70 CO -0.03 0.11 1.10 -2.16 -2.11 0.00 0.00 174.94 171.85 1m4q s PRO 71 N 1.06 3.33 -0.01 3.50 0.04 -1.26 -1.83 135.00 139.82 1m4q s PRO 71 Ca 0.60 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 63.08 1m4q s PRO 71 Cb -0.31 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1m4q s PRO 71 CO 0.29 -0.85 0.11 0.42 0.04 0.00 0.00 177.00 177.02 1m4q s ILE 72 N -1.98 0.05 -0.29 0.56 -1.09 -1.01 -4.39 121.20 113.06 1m4q s ILE 72 Ca 0.70 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 58.69 1m4q s ILE 72 Cb -0.21 -0.31 0.19 0.00 -1.58 0.00 0.00 42.46 40.55 1m4q s ILE 72 CO 0.29 -0.25 0.55 0.00 -1.23 0.00 0.00 174.94 174.31 1m4q s LEU 74 N 2.78 2.18 0.26 0.00 2.34 -1.19 0.13 118.68 125.19 1m4q s LEU 74 Ca 0.14 -0.41 -0.28 0.00 0.06 0.00 0.00 54.13 53.63 1m4q s LEU 74 Cb -0.12 -0.21 -0.09 0.00 -0.56 0.00 0.00 46.19 45.21 1m4q s LEU 74 CO -0.24 -0.12 0.93 0.26 -1.06 0.00 0.00 176.35 176.12 1m4q s TRP 75 N -1.00 3.87 -0.03 3.48 0.52 -1.19 -2.27 118.94 122.32 1m4q s TRP 75 Ca -0.06 1.84 -0.06 0.00 0.02 0.00 0.00 56.10 57.84 1m4q s TRP 75 Cb -0.08 -2.94 -0.04 0.00 -1.15 0.00 0.00 33.47 29.26 1m4q s TRP 75 CO 0.00 0.37 0.22 -1.17 0.02 0.00 0.00 176.95 176.39 1m4q s LEU 76 N -1.51 4.38 0.00 2.99 2.96 -0.02 -4.57 118.68 122.92 1m4q s LEU 76 Ca 0.44 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 1m4q s LEU 76 Cb -0.23 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1m4q s LEU 76 CO 0.28 0.30 0.00 -0.11 -1.32 0.00 0.00 176.35 175.51 1m4q n LEU 77 N 1.34 0.00 -2.05 -0.68 0.00 -1.26 -4.33 117.00 110.02 1m4q n LEU 77 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.86 1m4q n LEU 77 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 43.42 44.01 1m4q n LEU 77 CO 0.39 -0.20 0.43 -0.90 0.00 0.00 0.00 177.39 177.11 1m4q n ASP 78 N 0.00 -0.69 0.09 1.96 5.75 -1.26 -4.77 116.55 117.63 1m4q n ASP 78 Ca 0.00 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1m4q n ASP 78 Cb 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1m4q n ASP 78 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1m4q n THR 79 N -0.66 0.00 -1.65 2.12 -1.04 -1.26 -3.20 114.28 108.59 1m4q n THR 79 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1m4q n THR 79 Cb 0.67 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1m4q n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m4q n TYR 80 N -2.91 -4.36 -3.00 -1.42 9.36 -1.26 -4.74 117.16 108.83 1m4q n TYR 80 Ca 0.00 2.33 -0.41 0.00 3.32 0.00 0.00 57.90 63.14 1m4q n TYR 80 Cb 0.00 -3.50 -0.05 0.00 -0.63 0.00 0.00 39.34 35.15 1m4q n TYR 80 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1m4q s PRO 81 N -4.15 3.98 0.00 2.98 0.04 -1.26 -5.05 135.00 131.54 1m4q s PRO 81 Ca 0.00 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1m4q s PRO 81 Cb 0.00 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1m4q s PRO 81 CO 0.00 -0.60 0.00 0.98 0.04 0.00 0.00 177.00 177.42 1m4q n TYR 82 N 6.04 0.00 -0.88 0.56 9.36 -1.26 -4.99 117.16 125.99 1m4q n TYR 82 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1m4q n TYR 82 Cb 0.48 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 1m4q n TYR 82 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1m4q n ASN 83 N -0.73 -5.14 -4.62 2.98 4.05 -1.26 -4.81 115.26 105.72 1m4q n ASN 83 Ca 0.00 0.73 -0.43 0.00 0.45 0.00 0.00 54.58 55.33 1m4q n ASN 83 Cb 0.00 -2.23 -0.02 0.00 1.23 0.00 0.00 39.78 38.76 1m4q n ASN 83 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1m4q s PRO 84 N -4.77 3.77 -1.39 1.20 0.04 -1.26 -4.90 135.00 127.69 1m4q s PRO 84 Ca 0.00 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.26 1m4q s PRO 84 Cb 0.00 -3.98 -0.09 0.00 0.04 0.00 0.00 34.50 30.48 1m4q s PRO 84 CO 0.00 -1.32 2.79 -0.35 0.04 0.00 0.00 177.00 178.16 1m4q n PRO 85 N 7.65 3.25 -3.64 0.56 -0.04 -1.26 -4.75 135.00 136.78 1m4q n PRO 85 Ca 0.17 -1.97 -0.06 0.00 -0.04 0.00 0.00 63.50 61.60 1m4q n PRO 85 Cb 0.46 -2.68 -0.07 0.00 -0.04 0.00 0.00 33.50 31.18 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 2.41 -0.06 -0.05 0.52 -1.09 -1.26 -5.11 121.20 116.56 1m4q s ILE 86 Ca 0.62 0.00 -0.08 0.00 -2.23 0.00 0.00 60.65 58.96 1m4q s ILE 86 Cb 0.17 -1.00 0.01 0.00 -1.58 0.00 0.00 42.46 40.06 1m4q s ILE 86 CO -0.05 0.00 0.20 0.00 -1.23 0.00 0.00 174.94 173.86 1m4q n PHE 88 N 2.32 -0.94 -3.99 0.00 3.72 0.36 -2.47 117.46 116.46 1m4q n PHE 88 Ca -0.17 -1.55 -0.08 0.00 -0.05 0.00 0.00 57.45 55.60 1m4q n PHE 88 Cb 0.57 0.31 -0.10 0.00 -0.94 0.00 0.00 39.48 39.33 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 -2.71 0.16 -0.77 -4.37 0.11 -0.78 -1.76 120.40 110.28 1m4q s VAL 89 Ca 0.20 -1.33 -0.09 0.00 -2.93 0.00 0.00 61.98 57.83 1m4q s VAL 89 Cb -0.00 -1.05 0.20 0.00 -1.53 0.00 0.00 36.38 34.00 1m4q s VAL 89 CO 0.14 -0.73 0.66 -0.54 -3.33 0.00 0.00 175.10 171.31 1m4q s LYS 90 N -2.98 3.25 -0.13 1.54 1.02 -1.26 -4.81 119.74 116.36 1m4q s LYS 90 Ca -0.02 -2.55 -0.29 0.00 0.02 0.00 0.00 55.97 53.13 1m4q s LYS 90 Cb 0.01 -4.17 -0.01 0.00 -0.52 0.00 0.00 37.83 33.14 1m4q s LYS 90 CO -0.06 -1.25 1.05 -1.25 -0.92 0.00 0.00 175.35 172.91 1m4q s PRO 91 N -0.04 4.37 0.64 -1.68 0.04 -1.26 -4.70 135.00 132.38 1m4q s PRO 91 Ca 0.18 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1m4q s PRO 91 Cb -0.14 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 1m4q s PRO 91 CO -0.07 -0.41 1.04 0.95 0.04 0.00 0.00 177.00 178.55 1m4q s THR 92 N 2.34 4.49 0.47 1.26 -4.23 -1.26 -4.89 115.64 113.82 1m4q s THR 92 Ca 0.49 0.82 0.21 0.00 -1.18 0.00 0.00 61.69 62.02 1m4q s THR 92 Cb -0.18 -3.72 0.38 0.00 1.34 0.00 0.00 72.50 70.32 1m4q s THR 92 CO 0.16 -1.05 1.94 -1.28 -0.54 0.00 0.00 174.62 173.85 1m4q h SER 93 N -0.41 0.21 -0.33 3.99 0.87 -2.07 0.39 113.55 116.21 1m4q h SER 93 Ca -0.44 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1m4q h SER 93 Cb 1.20 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1m4q h SER 93 CO 0.60 0.11 0.00 -1.20 -0.53 0.00 0.00 176.83 175.81 1m4q n SER 94 N -4.42 2.60 -4.95 6.23 7.64 -1.26 -4.94 113.62 114.52 1m4q n SER 94 Ca 0.13 -1.89 -0.23 0.00 1.01 0.00 0.00 58.87 57.89 1m4q n SER 94 Cb 0.60 -0.21 0.03 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.58 2.71 -0.18 1.43 0.00 0.14 -2.51 119.30 119.31 1m4q s MET 95 Ca 0.35 -0.46 -0.04 0.00 0.00 0.00 0.00 55.69 55.54 1m4q s MET 95 Cb 0.20 -2.41 0.06 0.00 0.00 0.00 0.00 34.83 32.67 1m4q s MET 95 CO 0.28 -0.67 0.07 0.99 0.00 0.00 0.00 175.02 175.69 1m4q s THR 96 N -2.83 0.13 0.20 10.11 2.01 -0.93 -4.82 115.64 119.51 1m4q s THR 96 Ca 0.55 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.95 1m4q s THR 96 Cb -0.10 -0.73 -0.08 0.00 0.01 0.00 0.00 72.50 71.59 1m4q s THR 96 CO 0.41 -0.25 1.19 -0.63 -0.69 0.00 0.00 174.62 174.65 1m4q s ILE 97 N 2.04 3.54 -0.95 1.82 1.01 -1.26 -2.35 121.20 125.05 1m4q s ILE 97 Ca 0.01 1.32 -0.04 0.00 0.00 0.00 0.00 60.65 61.94 1m4q s ILE 97 Cb -0.16 -3.84 0.24 0.00 0.01 0.00 0.00 42.46 38.70 1m4q s ILE 97 CO -0.09 0.22 0.86 -1.59 0.00 0.00 0.00 174.94 174.35 1m4q s LYS 98 N -0.39 3.54 0.53 2.79 -2.85 -1.21 -4.97 119.74 117.17 1m4q s LYS 98 Ca 0.52 -3.20 -0.20 0.00 -1.00 0.00 0.00 55.97 52.09 1m4q s LYS 98 Cb -0.33 -4.15 -0.06 0.00 -2.06 0.00 0.00 37.83 31.23 1m4q s LYS 98 CO 0.37 -1.25 1.12 0.95 0.10 0.00 0.00 175.35 176.64 1m4q s THR 99 N -1.21 3.27 0.00 3.79 -4.23 -1.26 -4.59 115.64 111.42 1m4q s THR 99 Ca 0.28 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1m4q s THR 99 Cb -0.09 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1m4q s THR 99 CO -0.11 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1m4q n GLY 100 N 0.11 1.35 0.00 3.99 0.00 -0.82 -4.90 105.19 104.93 1m4q n GLY 100 Ca 0.11 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1m4q n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m4q n LYS 101 N 0.60 0.00 0.00 1.61 5.02 -1.26 -4.68 118.16 119.46 1m4q n LYS 101 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1m4q n LYS 101 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1m4q n LYS 101 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1m4q n HIS 102 N -0.26 0.00 -3.46 2.13 -0.00 -1.26 -4.72 115.22 107.65 1m4q n HIS 102 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 1m4q n HIS 102 Cb 0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 29.99 29.88 1m4q n HIS 102 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1m4q s VAL 103 N 0.00 0.00 -0.03 3.57 -7.23 -1.26 -2.16 120.40 113.29 1m4q s VAL 103 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 1m4q s VAL 103 Cb 0.00 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 1m4q s VAL 103 CO 0.00 0.00 -0.04 0.47 -0.31 0.00 0.00 175.10 175.22 1m4q n ASP 104 N 0.16 0.32 0.00 4.85 9.92 -1.26 -1.93 116.55 128.62 1m4q n ASP 104 Ca -0.18 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1m4q n ASP 104 Cb 0.62 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1m4q n ASP 104 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1m4q n ALA 105 N -2.62 0.00 -1.25 2.24 0.00 -1.26 -4.69 120.51 112.93 1m4q n ALA 105 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1m4q n ALA 105 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 0.00 0.00 3.02 -1.26 -4.99 115.26 112.03 1m4q n ASN 106 Ca 0.00 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1m4q n ASN 106 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 0.00 1.49 3.75 7.41 0.00 -1.26 -4.84 105.19 111.74 1m4q n GLY 107 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1m4q n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4q s LYS 108 N -0.48 4.45 0.04 1.61 -2.85 -1.26 -1.86 119.74 119.40 1m4q s LYS 108 Ca 0.00 2.02 -0.28 0.00 -1.00 0.00 0.00 55.97 56.71 1m4q s LYS 108 Cb 0.00 -3.16 -0.04 0.00 -2.06 0.00 0.00 37.83 32.57 1m4q s LYS 108 CO 0.00 -0.10 0.91 0.42 0.10 0.00 0.00 175.35 176.68 1m4q s ILE 109 N -0.63 4.73 0.00 3.79 1.01 -1.03 -4.05 121.20 125.02 1m4q s ILE 109 Ca 0.51 1.92 0.00 0.00 0.00 0.00 0.00 60.65 63.08 1m4q s ILE 109 Cb -0.36 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 37.85 1m4q s ILE 109 CO 0.43 0.26 0.00 0.00 0.00 0.00 0.00 174.94 175.64 1m4q n TYR 110 N 3.30 0.00 -1.16 3.97 9.36 -0.92 -4.78 117.16 126.93 1m4q n TYR 110 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1m4q n TYR 110 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1m4q n TYR 110 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1m4q n LEU 111 N 0.00 -1.32 -2.94 2.98 7.99 -1.26 -4.40 117.00 118.05 1m4q n LEU 111 Ca 0.00 2.12 -0.24 0.00 -0.01 0.00 0.00 56.01 57.88 1m4q n LEU 111 Cb 0.00 -2.04 -0.05 0.00 -0.11 0.00 0.00 43.42 41.22 1m4q n LEU 111 CO 0.00 -0.48 2.46 -0.81 -1.51 0.00 0.00 177.39 177.04 1m4q n PRO 112 N -2.14 2.50 0.00 3.23 -0.04 -1.26 -4.73 135.00 132.55 1m4q n PRO 112 Ca 0.00 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1m4q n PRO 112 Cb 0.31 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1m4q n PRO 112 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1m4q n TYR 113 N 3.57 0.00 -0.01 0.54 4.19 -1.26 0.59 117.16 124.77 1m4q n TYR 113 Ca 0.53 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.63 1m4q n TYR 113 Cb 0.32 -0.48 0.01 0.00 0.49 0.00 0.00 39.34 39.68 1m4q n TYR 113 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1m4q h LEU 114 N 0.00 0.72 0.00 2.98 -0.00 -1.95 -2.90 115.31 114.16 1m4q h LEU 114 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 1m4q h LEU 114 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.45 1m4q h LEU 114 CO 0.00 1.16 0.00 1.57 -0.00 0.00 0.00 178.44 181.17 1m4q n HIS 115 N -3.95 0.00 0.00 1.13 -0.00 -1.03 -3.62 115.22 107.75 1m4q n HIS 115 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 1m4q n HIS 115 Cb 0.64 -0.17 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1m4q n HIS 115 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1m4q n GLU 116 N -1.17 0.00 0.00 1.57 2.13 0.20 -4.95 120.64 118.42 1m4q n GLU 116 Ca 0.05 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1m4q n GLU 116 Cb 0.06 -0.36 0.00 0.00 0.27 0.00 0.00 31.44 31.40 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 -1.75 0.00 -3.92 4.31 -0.00 -1.24 -4.93 117.44 109.91 1m4q n TRP 117 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.24 1m4q n TRP 117 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.30 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 -0.14 -3.00 0.02 5.87 4.81 -1.24 -4.90 118.16 119.59 1m4q n LYS 118 Ca 0.00 0.41 -0.17 0.00 -0.87 0.00 0.00 58.31 57.68 1m4q n LYS 118 Cb 0.00 -4.44 -0.07 0.00 0.02 0.00 0.00 35.03 30.54 1m4q n LYS 118 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1m4q h HIS 119 N -1.86 0.95 0.33 5.64 3.86 -1.92 -3.47 115.15 118.67 1m4q h HIS 119 Ca -0.64 -0.47 -0.02 0.00 -1.16 0.00 0.00 60.37 58.09 1m4q h HIS 119 Cb 1.37 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1m4q h HIS 119 CO 0.47 1.29 -0.16 -1.35 0.86 0.00 0.00 177.93 179.04 1m4q h PRO 120 N 0.42 -0.42 0.00 2.45 0.11 -1.94 -3.50 132.00 129.11 1m4q h PRO 120 Ca -0.08 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1m4q h PRO 120 Cb 1.53 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.74 1m4q h PRO 120 CO 0.17 -0.28 0.00 0.94 -0.21 0.00 0.00 178.00 178.62 1m4q n GLN 121 N -4.56 0.00 -2.87 1.05 -0.06 -1.26 -4.90 117.38 104.77 1m4q n GLN 121 Ca -0.05 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.55 1m4q n GLN 121 Cb 0.17 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.30 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 7.44 0.55 1.69 0.15 -1.26 -5.07 113.70 117.21 1m4q s SER 122 Ca 0.00 1.71 0.05 0.00 0.70 0.00 0.00 55.95 58.41 1m4q s SER 122 Cb 0.00 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 1m4q s SER 122 CO 0.00 0.11 0.38 -0.90 1.20 0.00 0.00 173.24 174.03 1m4q n ASP 123 N 2.02 2.83 -0.33 5.45 5.75 -1.26 -4.89 116.55 126.11 1m4q n ASP 123 Ca -0.03 -2.93 0.24 0.00 -0.01 0.00 0.00 54.79 52.07 1m4q n ASP 123 Cb 0.49 -0.01 0.53 0.00 -1.03 0.00 0.00 41.12 41.10 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1m4q h LEU 124 N 0.00 0.40 0.39 -2.12 7.12 -1.97 0.18 115.31 119.31 1m4q h LEU 124 Ca -0.36 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 57.72 1m4q h LEU 124 Cb 1.28 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 1m4q h LEU 124 CO 0.56 0.06 -0.19 -0.07 -0.13 0.00 0.00 178.44 178.68 1m4q h LEU 125 N 0.35 -0.44 -2.04 2.25 4.07 -1.94 -3.12 115.31 114.43 1m4q h LEU 125 Ca 0.61 0.02 0.12 0.00 0.08 0.00 0.00 57.88 58.70 1m4q h LEU 125 Cb 1.62 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 43.46 1m4q h LEU 125 CO -0.29 -0.17 0.33 1.23 -1.08 0.00 0.00 178.44 178.46 1m4q h GLY 126 N -0.81 0.00 0.81 0.83 0.00 -1.79 -2.17 103.07 99.94 1m4q h GLY 126 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1m4q h GLY 126 CO 0.09 0.00 -0.25 -2.00 0.00 0.00 0.00 176.54 174.38 1m4q h LEU 127 N 0.00 -0.65 -1.81 3.11 6.46 -0.66 -2.05 115.31 119.71 1m4q h LEU 127 Ca 0.20 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 58.07 1m4q h LEU 127 Cb 0.85 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.97 1m4q h LEU 127 CO -0.00 -0.38 0.25 0.40 -0.62 0.00 0.00 178.44 178.09 1m4q h ILE 128 N -0.59 0.93 -0.75 4.05 1.08 -1.33 -1.74 117.51 119.16 1m4q h ILE 128 Ca -0.03 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1m4q h ILE 128 Cb 0.51 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.88 1m4q h ILE 128 CO -0.00 0.04 0.45 -0.61 -0.69 0.00 0.00 178.15 177.34 1m4q h GLN 129 N 0.23 0.81 -0.06 2.37 4.15 -1.20 0.74 115.11 122.14 1m4q h GLN 129 Ca 0.17 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1m4q h GLN 129 Cb 0.36 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1m4q h GLN 129 CO -0.03 0.53 0.02 0.28 -1.93 0.00 0.00 178.83 177.70 1m4q h VAL 130 N 0.83 1.18 -0.50 2.39 2.07 -1.09 0.31 116.25 121.44 1m4q h VAL 130 Ca 0.33 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1m4q h VAL 130 Cb 0.15 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1m4q h VAL 130 CO -0.16 0.15 0.33 -0.03 0.02 0.00 0.00 177.57 177.88 1m4q h MET 131 N -0.10 0.53 -0.32 1.57 1.85 -1.36 0.55 114.93 117.65 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 0.22 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1m4q h MET 131 CO -0.00 0.35 -0.43 0.82 -0.40 0.00 0.00 176.91 177.25 1m4q h ILE 132 N 0.55 1.28 0.16 1.77 2.04 -0.46 0.79 117.51 123.64 1m4q h ILE 132 Ca 0.20 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 1m4q h ILE 132 Cb 0.13 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1m4q h ILE 132 CO -0.05 0.53 -0.08 0.58 0.00 0.00 0.00 178.15 179.13 1m4q h VAL 133 N 0.66 0.96 0.13 1.67 2.07 0.43 0.33 116.25 122.50 1m4q h VAL 133 Ca 0.05 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1m4q h VAL 133 Cb 1.00 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1m4q h VAL 133 CO 0.10 0.14 -0.06 0.58 0.02 0.00 0.00 177.57 178.35 1m4q h VAL 134 N -0.53 0.89 0.00 2.57 2.07 -0.98 -2.22 116.25 118.06 1m4q h VAL 134 Ca -0.02 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1m4q h VAL 134 Cb 0.40 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1m4q h VAL 134 CO 0.04 0.02 -0.04 -0.26 0.02 0.00 0.00 177.57 177.35 1m4q h PHE 135 N -0.22 0.00 -0.22 1.57 -1.00 -0.87 0.47 116.94 116.67 1m4q h PHE 135 Ca -0.02 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 1m4q h PHE 135 Cb 0.17 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1m4q h PHE 135 CO -0.06 0.04 0.03 0.78 -1.61 0.00 0.00 178.31 177.49 1m4q h GLY 136 N 1.29 0.40 0.07 -1.45 0.00 0.30 -3.37 103.07 100.30 1m4q h GLY 136 Ca -0.00 -0.27 -0.40 0.00 0.00 0.00 0.00 47.33 46.66 1m4q h GLY 136 CO 0.00 0.25 -2.28 1.22 0.00 0.00 0.00 176.54 175.73 1m4q n ASP 137 N -4.72 1.97 -4.55 0.19 9.92 -1.13 -4.32 116.55 113.91 1m4q n ASP 137 Ca -0.04 0.19 -0.43 0.00 -0.53 0.00 0.00 54.79 53.99 1m4q n ASP 137 Cb 0.20 -0.72 -0.05 0.00 -0.64 0.00 0.00 41.12 39.90 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 -2.50 3.43 -0.30 -1.24 2.02 0.16 -5.01 118.70 115.28 1m4q s GLU 138 Ca -0.34 -0.05 -0.28 0.00 0.02 0.00 0.00 54.97 54.31 1m4q s GLU 138 Cb 0.11 -3.93 -0.03 0.00 0.10 0.00 0.00 34.13 30.37 1m4q s GLU 138 CO 0.57 -1.13 1.99 -1.25 0.02 0.00 0.00 175.26 175.46 1m4q s PRO 139 N 3.37 3.20 0.09 0.39 0.04 -1.26 -3.84 135.00 136.99 1m4q s PRO 139 Ca 0.31 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 1m4q s PRO 139 Cb -0.12 -4.28 -0.14 0.00 0.04 0.00 0.00 34.50 30.00 1m4q s PRO 139 CO 0.23 -2.02 1.33 -1.00 0.04 0.00 0.00 177.00 175.58 1m4q h PRO 140 N 14.01 0.74 -1.30 0.56 0.13 -1.90 -3.43 132.00 140.79 1m4q h PRO 140 Ca -0.36 -0.53 -0.11 0.00 -0.87 0.00 0.00 66.00 64.13 1m4q h PRO 140 Cb 1.20 0.09 -0.24 0.00 0.13 0.00 0.00 31.00 32.18 1m4q h PRO 140 CO 1.01 1.15 -0.49 0.54 -0.23 0.00 0.00 178.00 179.98 1m4q s VAL 141 N -3.92 -0.81 -0.06 1.56 0.11 -1.26 -3.35 120.40 112.66 1m4q s VAL 141 Ca -0.11 -0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 58.51 1m4q s VAL 141 Cb 0.08 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1m4q s VAL 141 CO 0.87 -0.16 0.58 0.72 -3.33 0.00 0.00 175.10 173.79 1m4q s PHE 142 N 2.20 3.59 0.59 1.54 -0.12 -0.99 -4.69 117.98 120.09 1m4q s PHE 142 Ca 0.13 1.10 -0.04 0.00 -0.05 0.00 0.00 56.93 58.07 1m4q s PHE 142 Cb -0.09 -2.64 0.02 0.00 -0.63 0.00 0.00 43.02 39.68 1m4q s PHE 142 CO -0.17 0.22 0.87 0.45 -0.05 0.00 0.00 175.22 176.54 1m4q s SER 143 N 0.36 5.43 0.38 1.98 0.15 -1.26 -2.19 113.70 118.55 1m4q s SER 143 Ca 0.31 0.50 -0.24 0.00 0.70 0.00 0.00 55.95 57.22 1m4q s SER 143 Cb -0.17 -1.45 -0.09 0.00 -1.71 0.00 0.00 66.02 62.60 1m4q s SER 143 CO 0.15 -1.13 1.04 0.00 1.20 0.00 0.00 173.24 174.50 1m4q s ARG 144 N -4.94 4.24 0.00 5.44 1.70 -1.05 -4.86 118.95 119.48 1m4q s ARG 144 Ca 0.55 1.50 0.19 0.00 -0.47 0.00 0.00 55.73 57.49 1m4q s ARG 144 Cb -0.10 -2.60 1.11 0.00 -0.57 0.00 0.00 34.95 32.78 1m4q s ARG 144 CO 0.43 -0.07 1.50 -0.35 -1.08 0.00 0.00 175.30 175.73