#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 1.04 0.80 0.00 3.14 -1.26 -4.16 118.33 117.89 1m4q n VAL 3 Ca 0.00 -0.74 0.13 0.00 -2.96 0.00 0.00 64.34 60.77 1m4q n VAL 3 Cb 0.00 -0.45 0.52 0.00 -1.06 0.00 0.00 33.84 32.84 1m4q n VAL 3 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1m4q n SER 4 N -2.69 0.31 -0.27 6.55 2.88 -1.26 -3.72 113.62 115.43 1m4q n SER 4 Ca -0.20 0.53 0.07 0.00 -1.33 0.00 0.00 58.87 57.94 1m4q n SER 4 Cb 0.95 -0.62 0.21 0.00 -0.75 0.00 0.00 64.21 64.00 1m4q n SER 4 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1m4q h GLU 5 N 0.00 0.37 0.54 -1.46 -0.00 -1.99 1.23 114.58 113.28 1m4q h GLU 5 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.31 1m4q h GLU 5 Cb 0.55 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.22 1m4q h GLU 5 CO 0.00 0.25 -0.28 1.03 -0.00 0.00 0.00 179.01 180.01 1m4q h SER 6 N 0.38 -0.66 0.69 3.06 0.87 -1.86 -1.99 113.55 114.04 1m4q h SER 6 Ca 0.45 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1m4q h SER 6 Cb 0.75 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1m4q h SER 6 CO -0.46 -0.46 0.00 -0.61 -0.53 0.00 0.00 176.83 174.77 1m4q h GLN 7 N -0.75 0.00 -0.12 2.24 5.75 -1.52 -3.07 115.11 117.65 1m4q h GLN 7 Ca -0.07 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1m4q h GLN 7 Cb 0.58 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1m4q h GLN 7 CO 0.11 0.00 0.05 1.25 -2.65 0.00 0.00 178.83 177.59 1m4q h LEU 8 N 0.00 0.07 -1.14 -2.39 6.46 0.23 -2.21 115.31 116.32 1m4q h LEU 8 Ca 0.00 0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.88 1m4q h LEU 8 Cb 0.34 -0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.20 1m4q h LEU 8 CO 0.00 0.06 0.60 0.50 -0.62 0.00 0.00 178.44 178.98 1m4q h LYS 9 N 0.11 0.88 0.00 1.25 3.64 -1.49 -0.12 116.57 120.85 1m4q h LYS 9 Ca 0.05 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1m4q h LYS 9 Cb 0.02 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1m4q h LYS 9 CO -0.05 0.58 -0.35 -0.22 -2.27 0.00 0.00 179.45 177.15 1m4q h LYS 10 N 0.91 0.00 0.00 1.90 3.64 -1.60 -2.81 116.57 118.61 1m4q h LYS 10 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1m4q h LYS 10 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1m4q h LYS 10 CO -0.21 0.35 0.00 0.52 -2.27 0.00 0.00 179.45 177.84 1m4q h MET 11 N 0.00 0.00 0.00 1.90 2.86 -0.42 -3.35 114.93 115.93 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 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1m4q h MET 11 CO 0.05 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.35 1m4q n VAL 12 N -2.88 0.00 -2.16 -2.22 0.24 -1.07 -4.93 118.33 105.31 1m4q n VAL 12 Ca -0.02 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.22 1m4q n VAL 12 Cb 0.12 -0.95 -0.01 0.00 -1.47 0.00 0.00 33.84 31.53 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 -1.40 -2.30 -0.04 -1.34 2.88 -1.18 -4.56 113.62 105.68 1m4q n SER 13 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1m4q n SER 13 Cb 0.00 -2.11 0.00 0.00 -0.75 0.00 0.00 64.21 61.35 1m4q n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1m4q n LYS 14 N -2.36 0.00 -1.84 -1.46 4.76 -1.26 -5.11 118.16 110.89 1m4q n LYS 14 Ca -0.07 -0.16 -0.32 0.00 -2.87 0.00 0.00 58.31 54.89 1m4q n LYS 14 Cb 0.47 -0.15 0.03 0.00 -1.84 0.00 0.00 35.03 33.54 1m4q n LYS 14 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1m4q s TYR 15 N 0.00 3.00 0.49 2.13 1.51 -1.26 -4.93 117.35 118.29 1m4q s TYR 15 Ca 0.00 1.49 0.15 0.00 -1.01 0.00 0.00 57.07 57.70 1m4q s TYR 15 Cb 0.00 -2.97 1.15 0.00 -0.11 0.00 0.00 41.96 40.03 1m4q s TYR 15 CO 0.00 -1.20 2.08 -0.22 -1.11 0.00 0.00 175.55 175.10 1m4q h LYS 16 N -0.03 0.01 -1.42 -0.62 3.11 -1.96 -3.19 116.57 112.47 1m4q h LYS 16 Ca -0.46 -0.00 -0.41 0.00 -2.81 0.00 0.00 60.65 56.97 1m4q h LYS 16 Cb 1.22 -0.00 -0.37 0.00 -1.00 0.00 0.00 32.23 32.08 1m4q h LYS 16 CO 0.57 0.08 -1.09 0.66 -2.81 0.00 0.00 179.45 176.86 1m4q n TYR 17 N -4.45 0.07 -0.30 1.91 4.01 -1.26 -4.98 117.16 112.17 1m4q n TYR 17 Ca -0.03 -3.27 0.10 0.00 -0.16 0.00 0.00 57.90 54.55 1m4q n TYR 17 Cb 0.15 -0.13 0.24 0.00 -0.31 0.00 0.00 39.34 39.30 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 2.95 0.11 0.65 -0.72 2.43 -1.93 0.96 114.38 118.82 1m4q h ARG 18 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1m4q h ARG 18 Cb 1.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1m4q h ARG 18 CO 0.44 0.07 -0.41 0.22 -1.51 0.00 0.00 179.97 178.78 1m4q h ASP 19 N 0.11 -1.03 0.54 -3.80 1.82 -1.93 0.79 116.42 112.91 1m4q h ASP 19 Ca 0.51 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 57.20 1m4q h ASP 19 Cb 1.00 0.30 -0.00 0.00 0.68 0.00 0.00 39.33 41.31 1m4q h ASP 19 CO -0.74 -0.63 -0.05 -0.07 -1.61 0.00 0.00 179.24 176.14 1m4q h LEU 20 N -1.00 0.00 0.05 2.28 4.07 -1.60 -2.47 115.31 116.64 1m4q h LEU 20 Ca -0.08 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.79 1m4q h LEU 20 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1m4q h LEU 20 CO 0.08 0.05 -0.41 0.74 -1.08 0.00 0.00 178.44 177.81 1m4q h THR 21 N 0.00 1.61 -0.56 0.22 2.02 0.15 -3.13 112.91 113.22 1m4q h THR 21 Ca -0.00 -2.40 0.05 0.00 0.77 0.00 0.00 66.41 64.83 1m4q h THR 21 Cb 0.33 3.22 -0.05 0.00 -1.74 0.00 0.00 68.15 69.92 1m4q h THR 21 CO 0.01 0.63 0.29 0.58 0.37 0.00 0.00 175.52 177.40 1m4q h VAL 22 N -0.77 0.96 -0.93 3.16 2.07 0.75 -1.62 116.25 119.86 1m4q h VAL 22 Ca -0.08 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1m4q h VAL 22 Cb 1.26 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 1m4q h VAL 22 CO 0.03 0.10 0.62 -0.09 0.02 0.00 0.00 177.57 178.25 1m4q h ARG 23 N 0.56 1.19 -0.55 1.57 9.65 -1.58 -2.08 114.38 123.14 1m4q h ARG 23 Ca 0.25 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.03 1m4q h ARG 23 Cb 0.14 -0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 1m4q h ARG 23 CO -0.16 0.79 0.25 0.93 2.80 0.00 0.00 179.97 184.58 1m4q h GLU 24 N 1.23 0.80 0.82 0.20 5.08 -1.27 -0.44 114.58 121.00 1m4q h GLU 24 Ca 0.35 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1m4q h GLU 24 Cb -0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1m4q h GLU 24 CO -0.09 0.67 -0.44 1.15 -1.00 0.00 0.00 179.01 179.30 1m4q h THR 25 N 0.74 0.00 -0.67 1.13 2.02 -0.74 -1.11 112.91 114.29 1m4q h THR 25 Ca 0.19 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.46 1m4q h THR 25 Cb 0.15 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.48 1m4q h THR 25 CO -0.02 0.00 0.30 -0.37 0.37 0.00 0.00 175.52 175.80 1m4q h VAL 26 N -1.16 0.81 -0.71 3.16 -1.51 -1.40 -1.64 116.25 113.80 1m4q h VAL 26 Ca -0.11 -0.17 0.06 0.00 -1.23 0.00 0.00 66.70 65.25 1m4q h VAL 26 Cb 0.91 0.25 -0.06 0.00 -2.13 0.00 0.00 31.29 30.26 1m4q h VAL 26 CO 0.15 0.09 0.41 0.78 -1.23 0.00 0.00 177.57 177.77 1m4q h ASN 27 N 0.51 0.61 0.05 4.19 2.35 -0.96 0.96 115.58 123.29 1m4q h ASN 27 Ca 0.33 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1m4q h ASN 27 Cb 0.38 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1m4q h ASN 27 CO -0.29 0.39 -0.02 0.58 -1.65 0.00 0.00 177.43 176.43 1m4q h VAL 28 N 0.74 1.04 -0.30 2.81 2.07 -0.29 0.10 116.25 122.43 1m4q h VAL 28 Ca 0.32 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 67.39 1m4q h VAL 28 Cb 0.20 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1m4q h VAL 28 CO -0.19 0.07 -0.47 0.16 0.02 0.00 0.00 177.57 177.16 1m4q h ILE 29 N -0.19 1.28 0.00 4.57 3.07 -1.08 0.51 117.51 125.67 1m4q h ILE 29 Ca -0.01 -1.66 -0.06 0.00 1.55 0.00 0.00 64.86 64.68 1m4q h ILE 29 Cb 0.17 1.56 -0.01 0.00 -0.27 0.00 0.00 36.82 38.27 1m4q h ILE 29 CO 0.01 0.54 -0.27 0.74 -1.05 0.00 0.00 178.15 178.12 1m4q h THR 30 N 0.63 0.84 0.04 0.16 2.02 0.10 0.84 112.91 117.55 1m4q h THR 30 Ca 0.03 -1.06 -0.36 0.00 0.77 0.00 0.00 66.41 65.79 1m4q h THR 30 Cb 1.05 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 1m4q h THR 30 CO 0.10 0.26 -2.04 -0.11 0.37 0.00 0.00 175.52 174.10 1m4q n LEU 31 N -3.72 2.37 -0.11 2.58 7.94 0.35 -4.69 117.00 121.73 1m4q n LEU 31 Ca -0.01 0.21 -0.21 0.00 -1.11 0.00 0.00 56.01 54.89 1m4q n LEU 31 Cb 0.38 -0.97 -0.10 0.00 0.53 0.00 0.00 43.42 43.26 1m4q n LEU 31 CO 0.35 0.67 -0.62 -1.22 -1.11 0.00 0.00 177.39 175.45 1m4q n TYR 32 N -3.84 0.87 -0.95 1.96 4.01 0.18 -4.98 117.16 114.41 1m4q n TYR 32 Ca -0.40 0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1m4q n TYR 32 Cb 0.91 -1.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 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 -4.43 -0.22 -0.01 -0.72 -0.00 0.29 -4.80 118.16 108.28 1m4q n LYS 33 Ca -0.32 0.05 0.01 0.00 -0.00 0.00 0.00 58.31 58.05 1m4q n LYS 33 Cb 0.66 -3.18 -0.05 0.00 -0.00 0.00 0.00 35.03 32.46 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 -0.11 3.53 -4.46 -5.58 8.00 -1.26 -4.90 116.55 111.77 1m4q n ASP 34 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1m4q n ASP 34 Cb 0.05 1.02 -0.04 0.00 -0.02 0.00 0.00 41.12 42.13 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 -3.87 4.39 -0.38 0.64 1.02 -1.26 -3.32 118.68 115.90 1m4q s LEU 35 Ca -0.03 -1.09 -0.21 0.00 0.02 0.00 0.00 54.13 52.83 1m4q s LEU 35 Cb 0.03 -2.42 0.01 0.00 0.02 0.00 0.00 46.19 43.82 1m4q s LEU 35 CO 0.26 -1.42 0.65 -1.59 0.02 0.00 0.00 176.35 174.26 1m4q s LYS 36 N 4.00 3.58 0.59 1.70 -2.85 0.11 -4.38 119.74 122.50 1m4q s LYS 36 Ca 0.24 -0.04 -0.19 0.00 -1.00 0.00 0.00 55.97 54.98 1m4q s LYS 36 Cb -0.15 -3.85 -0.04 0.00 -2.06 0.00 0.00 37.83 31.74 1m4q s LYS 36 CO 0.08 -0.82 1.21 -1.25 0.10 0.00 0.00 175.35 174.68 1m4q s PRO 37 N 2.77 3.01 0.05 1.78 0.04 -1.26 -2.77 135.00 138.62 1m4q s PRO 37 Ca 0.24 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.16 1m4q s PRO 37 Cb -0.14 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1m4q s PRO 37 CO 0.16 -1.18 -0.10 0.14 0.04 0.00 0.00 177.00 176.06 1m4q s VAL 38 N -1.57 0.72 -0.05 -0.36 -7.23 0.56 -4.93 120.40 107.53 1m4q s VAL 38 Ca 0.77 -1.12 -0.19 0.00 -1.81 0.00 0.00 61.98 59.63 1m4q s VAL 38 Cb -0.31 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 1m4q s VAL 38 CO 0.34 -0.31 0.52 -0.76 -0.31 0.00 0.00 175.10 174.57 1m4q s LEU 39 N -1.57 4.36 0.17 1.32 2.01 -1.26 -0.33 118.68 123.39 1m4q s LEU 39 Ca -0.07 0.98 -0.18 0.00 0.01 0.00 0.00 54.13 54.87 1m4q s LEU 39 Cb -0.10 -2.77 0.03 0.00 0.01 0.00 0.00 46.19 43.36 1m4q s LEU 39 CO 0.01 0.09 0.50 1.51 1.01 0.00 0.00 176.35 179.47 1m4q s ASP 40 N 0.04 -0.28 -0.30 2.29 -4.77 -1.10 -4.93 116.67 107.62 1m4q s ASP 40 Ca 0.28 -0.40 -0.11 0.00 -3.30 0.00 0.00 52.55 49.02 1m4q s ASP 40 Cb -0.17 0.55 0.13 0.00 -1.09 0.00 0.00 42.92 42.35 1m4q s ASP 40 CO 0.14 -0.99 0.68 -0.55 0.70 0.00 0.00 175.17 175.14 1m4q s SER 41 N -2.85 -1.08 0.16 2.11 0.15 -1.26 0.04 113.70 110.97 1m4q s SER 41 Ca 0.07 1.51 -0.01 0.00 0.70 0.00 0.00 55.95 58.22 1m4q s SER 41 Cb -0.00 2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 66.44 1m4q s SER 41 CO -0.06 -0.21 0.06 -0.47 1.20 0.00 0.00 173.24 173.76 1m4q s TYR 42 N 2.75 1.00 0.23 3.44 5.04 -1.14 -4.77 117.35 123.89 1m4q s TYR 42 Ca -0.06 -1.23 -0.17 0.00 -2.44 0.00 0.00 57.07 53.16 1m4q s TYR 42 Cb -0.11 -0.55 -0.08 0.00 0.35 0.00 0.00 41.96 41.57 1m4q s TYR 42 CO -0.19 -0.49 0.69 0.14 -1.34 0.00 0.00 175.55 174.37 1m4q s VAL 43 N -4.00 4.65 0.09 3.14 -7.23 -1.26 -0.90 120.40 114.89 1m4q s VAL 43 Ca 0.27 1.11 0.00 0.00 -1.81 0.00 0.00 61.98 61.56 1m4q s VAL 43 Cb 0.07 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1m4q s VAL 43 CO 0.05 0.12 0.00 0.49 -0.31 0.00 0.00 175.10 175.44 1m4q n PHE 44 N 0.47 -1.23 -1.52 2.82 3.72 -1.20 -4.72 117.46 115.81 1m4q n PHE 44 Ca -0.01 0.19 -0.13 0.00 -0.05 0.00 0.00 57.45 57.45 1m4q n PHE 44 Cb 0.52 0.74 -0.10 0.00 -0.94 0.00 0.00 39.48 39.69 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 -2.75 1.02 -1.83 4.37 4.13 -1.26 -3.01 115.26 115.92 1m4q n ASN 45 Ca 0.00 -1.80 -0.11 0.00 1.68 0.00 0.00 54.58 54.35 1m4q n ASN 45 Cb 0.00 -1.51 -0.03 0.00 -1.54 0.00 0.00 39.78 36.70 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 17.01 -3.24 -0.11 6.41 9.92 -1.26 -3.57 116.55 141.71 1m4q n ASP 46 Ca 0.43 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 1m4q n ASP 46 Cb 0.43 -2.94 0.00 0.00 -0.64 0.00 0.00 41.12 37.97 1m4q n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1m4q n GLY 47 N -0.46 0.64 3.00 0.44 0.00 -1.17 -5.12 105.19 102.52 1m4q n GLY 47 Ca -0.12 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 1m4q n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4q s SER 48 N -0.50 -0.38 0.15 1.61 0.15 -1.23 -4.86 113.70 108.64 1m4q s SER 48 Ca 0.00 -0.31 -0.33 0.00 0.70 0.00 0.00 55.95 56.01 1m4q s SER 48 Cb 0.00 1.45 -0.13 0.00 -1.71 0.00 0.00 66.02 65.63 1m4q s SER 48 CO 0.00 -0.32 1.68 -1.54 1.20 0.00 0.00 173.24 174.26 1m4q n SER 49 N 5.23 3.53 -4.12 5.45 3.41 -1.26 -3.20 113.62 122.66 1m4q n SER 49 Ca 0.04 1.06 -0.26 0.00 -0.26 0.00 0.00 58.87 59.44 1m4q n SER 49 Cb 0.51 -1.49 -0.16 0.00 -0.26 0.00 0.00 64.21 62.82 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 1.45 1.75 -0.58 4.33 3.00 -0.07 -4.87 118.95 123.95 1m4q s ARG 50 Ca 0.79 -0.58 -0.28 0.00 -1.00 0.00 0.00 55.73 54.66 1m4q s ARG 50 Cb -0.60 -1.52 0.01 0.00 0.00 0.00 0.00 34.95 32.84 1m4q s ARG 50 CO 0.37 0.22 1.48 -2.00 0.00 0.00 0.00 175.30 175.36 1m4q s GLU 51 N 0.10 3.20 -0.07 5.12 2.12 -1.26 -2.90 118.70 125.00 1m4q s GLU 51 Ca -0.05 0.44 -0.04 0.00 0.36 0.00 0.00 54.97 55.67 1m4q s GLU 51 Cb -0.12 -4.17 0.03 0.00 0.26 0.00 0.00 34.13 30.13 1m4q s GLU 51 CO 0.02 -2.07 0.17 -0.48 -0.54 0.00 0.00 175.26 172.37 1m4q s LEU 52 N 6.47 0.87 0.92 2.70 -0.00 0.11 -4.97 118.68 124.78 1m4q s LEU 52 Ca 0.53 0.36 -0.14 0.00 -0.00 0.00 0.00 54.13 54.88 1m4q s LEU 52 Cb -0.11 0.52 0.17 0.00 -0.00 0.00 0.00 46.19 46.76 1m4q s LEU 52 CO 0.24 -0.12 1.28 0.00 -0.00 0.00 0.00 176.35 177.74 1m4q s MET 53 N 0.82 0.98 0.20 1.48 0.23 -1.24 -2.70 119.30 119.06 1m4q s MET 53 Ca -0.06 -0.32 -0.10 0.00 -1.03 0.00 0.00 55.69 54.18 1m4q s MET 53 Cb -0.08 -1.89 -0.01 0.00 -1.53 0.00 0.00 34.83 31.32 1m4q s MET 53 CO -0.04 -2.19 0.35 0.54 -2.03 0.00 0.00 175.02 171.64 1m4q s ASN 54 N -4.81 -0.01 -0.14 -1.18 2.20 0.56 0.38 114.94 111.92 1m4q s ASN 54 Ca 0.71 -0.92 -0.03 0.00 -0.94 0.00 0.00 52.86 51.68 1m4q s ASN 54 Cb -0.05 0.49 -0.03 0.00 -2.00 0.00 0.00 41.25 39.66 1m4q s ASN 54 CO 0.52 -0.98 -0.03 -0.76 -2.94 0.00 0.00 177.10 172.90 1m4q s LEU 55 N -3.00 3.29 -0.07 3.54 2.01 -0.50 -0.32 118.68 123.63 1m4q s LEU 55 Ca 0.21 -0.09 -0.06 0.00 0.01 0.00 0.00 54.13 54.21 1m4q s LEU 55 Cb 0.02 -1.78 0.02 0.00 0.01 0.00 0.00 46.19 44.46 1m4q s LEU 55 CO 0.04 0.21 0.17 0.28 1.01 0.00 0.00 176.35 178.06 1m4q s THR 56 N 0.12 -0.01 -3.02 5.49 -1.32 -1.11 -2.53 115.64 113.25 1m4q s THR 56 Ca -0.01 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1m4q s THR 56 Cb -0.14 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 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 3.16 -0.50 3.09 6.08 0.00 -1.23 0.10 105.19 115.89 1m4q n GLY 57 Ca -0.14 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.00 -0.48 0.05 2.61 -4.23 -1.21 -3.39 115.64 104.99 1m4q s THR 58 Ca 0.00 0.24 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 1m4q s THR 58 Cb 0.00 -0.51 -0.06 0.00 1.34 0.00 0.00 72.50 73.27 1m4q s THR 58 CO 0.00 0.10 0.43 0.27 -0.54 0.00 0.00 174.62 174.89 1m4q s ILE 59 N 2.46 5.01 -0.19 2.99 -4.36 -1.00 -4.64 121.20 121.47 1m4q s ILE 59 Ca 0.00 0.72 -0.29 0.00 -0.26 0.00 0.00 60.65 60.82 1m4q s ILE 59 Cb -0.12 -3.70 -0.03 0.00 1.25 0.00 0.00 42.46 39.86 1m4q s ILE 59 CO -0.10 0.43 1.57 -2.16 0.24 0.00 0.00 174.94 174.92 1m4q s PRO 60 N -1.49 3.91 -0.41 0.37 0.04 -1.26 -1.70 135.00 134.47 1m4q s PRO 60 Ca 0.29 1.73 -0.09 0.00 0.04 0.00 0.00 61.00 62.97 1m4q s PRO 60 Cb -0.16 -3.99 0.07 0.00 0.04 0.00 0.00 34.50 30.46 1m4q s PRO 60 CO 0.16 -1.15 0.24 0.08 0.04 0.00 0.00 177.00 176.37 1m4q s VAL 61 N 4.79 4.21 0.02 -0.36 1.01 0.17 -4.92 120.40 125.32 1m4q s VAL 61 Ca 0.69 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1m4q s VAL 61 Cb -0.26 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1m4q s VAL 61 CO 0.27 -0.46 1.08 -2.16 0.00 0.00 0.00 175.10 173.83 1m4q s PRO 62 N 1.43 4.50 0.00 2.72 0.04 -1.26 -0.84 135.00 141.59 1m4q s PRO 62 Ca 0.03 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1m4q s PRO 62 Cb -0.22 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1m4q s PRO 62 CO 0.02 -0.16 0.00 0.98 0.04 0.00 0.00 177.00 177.89 1m4q n TYR 63 N 3.99 -0.40 0.11 0.56 9.36 0.14 -4.38 117.16 126.54 1m4q n TYR 63 Ca 0.07 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.48 1m4q n TYR 63 Cb 0.49 0.00 0.75 0.00 -0.63 0.00 0.00 39.34 39.95 1m4q n TYR 63 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1m4q h ARG 64 N 0.00 0.00 0.00 2.98 2.43 -1.97 -3.32 114.38 114.51 1m4q h ARG 64 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1m4q h ARG 64 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1m4q h ARG 64 CO 0.00 0.00 -0.08 0.41 -1.51 0.00 0.00 179.97 178.79 1m4q n GLY 65 N -1.51 0.63 0.05 2.80 0.00 -1.26 -5.15 105.19 100.75 1m4q n GLY 65 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 1m4q n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m4q n ASN 66 N 0.00 -0.02 -3.17 1.61 0.23 -1.25 -5.16 115.26 107.51 1m4q n ASN 66 Ca -0.07 -1.03 0.03 0.00 -0.53 0.00 0.00 54.58 52.97 1m4q n ASN 66 Cb 0.47 0.03 -0.01 0.00 -2.08 0.00 0.00 39.78 38.19 1m4q n ASN 66 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1m4q s THR 67 N -2.20 -0.96 0.16 5.53 2.01 -1.26 0.24 115.64 119.17 1m4q s THR 67 Ca 0.01 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1m4q s THR 67 Cb 0.00 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.55 1m4q s THR 67 CO 0.00 -0.02 0.22 -1.22 -0.69 0.00 0.00 174.62 172.91 1m4q n TYR 68 N 5.42 -2.91 -3.91 4.92 4.02 -0.02 -4.76 117.16 119.91 1m4q n TYR 68 Ca 0.02 -0.54 -0.31 0.00 -0.01 0.00 0.00 57.90 57.07 1m4q n TYR 68 Cb 0.52 -0.16 -0.15 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 -1.97 4.49 0.16 7.72 0.01 -1.26 0.42 114.94 124.51 1m4q s ASN 69 Ca 0.16 -1.96 -0.30 0.00 -0.71 0.00 0.00 52.86 50.05 1m4q s ASN 69 Cb -0.01 -1.34 -0.07 0.00 0.41 0.00 0.00 41.25 40.23 1m4q s ASN 69 CO 0.10 -0.39 1.14 -0.51 -1.51 0.00 0.00 177.10 175.93 1m4q s ILE 70 N 1.17 3.81 0.18 0.60 1.10 -0.69 -4.78 121.20 122.60 1m4q s ILE 70 Ca 0.10 1.51 -0.27 0.00 -0.51 0.00 0.00 60.65 61.48 1m4q s ILE 70 Cb -0.18 -3.96 -0.08 0.00 0.15 0.00 0.00 42.46 38.38 1m4q s ILE 70 CO -0.14 0.23 0.85 -2.16 -2.11 0.00 0.00 174.94 171.61 1m4q s PRO 71 N -0.13 4.69 0.01 3.50 0.04 -1.26 -2.38 135.00 139.46 1m4q s PRO 71 Ca 0.52 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 1m4q s PRO 71 Cb -0.30 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1m4q s PRO 71 CO 0.35 0.51 0.24 0.42 0.04 0.00 0.00 177.00 178.56 1m4q s ILE 72 N -1.02 0.08 -0.27 0.56 1.09 -1.22 -3.25 121.20 117.16 1m4q s ILE 72 Ca 0.39 -0.65 -0.05 0.00 -1.10 0.00 0.00 60.65 59.24 1m4q s ILE 72 Cb -0.24 -0.69 0.15 0.00 -1.06 0.00 0.00 42.46 40.61 1m4q s ILE 72 CO 0.29 -0.36 0.53 0.00 -0.10 0.00 0.00 174.94 175.30 1m4q s LEU 74 N 2.76 2.03 0.09 0.00 2.34 -1.05 -2.09 118.68 122.76 1m4q s LEU 74 Ca 0.09 -0.15 -0.30 0.00 0.06 0.00 0.00 54.13 53.83 1m4q s LEU 74 Cb -0.14 -0.30 -0.05 0.00 -0.56 0.00 0.00 46.19 45.14 1m4q s LEU 74 CO -0.18 0.05 1.04 0.26 -1.06 0.00 0.00 176.35 176.46 1m4q s TRP 75 N -0.24 3.66 -0.90 3.48 0.52 -1.03 -1.41 118.94 123.01 1m4q s TRP 75 Ca 0.01 1.65 -0.17 0.00 0.02 0.00 0.00 56.10 57.61 1m4q s TRP 75 Cb -0.03 -3.18 0.17 0.00 -1.15 0.00 0.00 33.47 29.28 1m4q s TRP 75 CO -0.00 -0.27 1.01 -1.17 0.02 0.00 0.00 176.95 176.53 1m4q s LEU 76 N 0.39 5.70 1.12 2.99 2.96 0.16 -4.26 118.68 127.73 1m4q s LEU 76 Ca 0.51 -2.33 -0.17 0.00 -0.22 0.00 0.00 54.13 51.92 1m4q s LEU 76 Cb -0.25 -2.33 0.25 0.00 0.50 0.00 0.00 46.19 44.36 1m4q s LEU 76 CO 0.30 -0.86 1.11 -0.76 -1.32 0.00 0.00 176.35 174.82 1m4q s LEU 77 N 1.67 1.11 0.10 -0.68 2.01 -1.26 -3.72 118.68 117.91 1m4q s LEU 77 Ca 0.28 0.80 -0.19 0.00 0.01 0.00 0.00 54.13 55.02 1m4q s LEU 77 Cb -0.07 -2.71 -0.07 0.00 0.01 0.00 0.00 46.19 43.35 1m4q s LEU 77 CO -0.09 -3.69 1.67 -2.24 1.01 0.00 0.00 176.35 173.00 1m4q h ASP 78 N -2.28 0.29 0.00 2.29 3.04 -1.96 -3.44 116.42 114.37 1m4q h ASP 78 Ca -0.48 -0.13 0.00 0.00 -3.24 0.00 0.00 57.03 53.17 1m4q h ASP 78 Cb 1.31 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1m4q h ASP 78 CO 0.43 0.34 0.00 1.07 -2.04 0.00 0.00 179.24 179.05 1m4q n THR 79 N -4.84 0.00 -4.92 1.15 5.66 -1.26 -4.36 114.28 105.71 1m4q n THR 79 Ca -0.03 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.64 1m4q n THR 79 Cb 0.10 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.74 1m4q n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1m4q s TYR 80 N 0.00 2.69 -0.21 1.09 1.51 -1.26 -2.44 117.35 118.73 1m4q s TYR 80 Ca 0.00 -0.49 0.28 0.00 -1.01 0.00 0.00 57.07 55.85 1m4q s TYR 80 Cb 0.00 -1.72 0.87 0.00 -0.11 0.00 0.00 41.96 41.01 1m4q s TYR 80 CO 0.00 -0.07 1.80 -1.00 -1.11 0.00 0.00 175.55 175.16 1m4q h PRO 81 N 6.09 0.00 0.00 -1.71 0.13 -1.98 -3.39 132.00 131.14 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1m4q h PRO 81 CO 0.52 0.00 0.00 0.98 -0.23 0.00 0.00 178.00 179.27 1m4q n TYR 82 N -3.00 -1.52 0.13 1.56 9.36 -1.02 -5.06 117.16 117.61 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 0.40 0.35 0.00 0.00 -0.63 0.00 0.00 39.34 39.46 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 -2.20 -1.73 -4.60 2.98 5.15 -1.26 -4.76 115.26 108.84 1m4q n ASN 83 Ca 0.00 0.49 -0.43 0.00 -0.60 0.00 0.00 54.58 54.04 1m4q n ASN 83 Cb 0.00 1.77 -0.02 0.00 -0.53 0.00 0.00 39.78 41.00 1m4q n ASN 83 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1m4q s PRO 84 N -2.00 3.61 0.00 1.20 0.02 -1.26 -4.85 135.00 131.72 1m4q s PRO 84 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1m4q s PRO 84 Cb 0.00 -3.99 0.00 0.00 0.02 0.00 0.00 34.50 30.53 1m4q s PRO 84 CO 0.00 -1.53 0.00 -0.35 -0.33 0.00 0.00 177.00 174.79 1m4q n PRO 85 N 8.04 1.42 -1.76 5.54 -0.04 -1.26 -4.29 135.00 142.64 1m4q n PRO 85 Ca 0.15 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 1m4q n PRO 85 Cb 0.48 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.93 1m4q n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1m4q s ILE 86 N 0.75 2.03 -0.02 0.52 1.09 -1.26 -4.92 121.20 119.40 1m4q s ILE 86 Ca 0.00 0.02 -0.00 0.00 -1.10 0.00 0.00 60.65 59.57 1m4q s ILE 86 Cb 0.00 -3.02 0.02 0.00 -1.06 0.00 0.00 42.46 38.40 1m4q s ILE 86 CO 0.00 0.00 0.03 0.00 -0.10 0.00 0.00 174.94 174.87 1m4q s PHE 88 N 0.63 0.24 0.04 0.00 -0.71 -0.89 -1.80 117.98 115.49 1m4q s PHE 88 Ca -0.05 -0.69 -0.08 0.00 -1.04 0.00 0.00 56.93 55.06 1m4q s PHE 88 Cb -0.08 -0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.56 1m4q s PHE 88 CO -0.02 -0.52 0.33 0.54 -1.34 0.00 0.00 175.22 174.21 1m4q s VAL 89 N -3.88 5.20 -0.69 -2.49 0.11 0.27 -1.15 120.40 117.77 1m4q s VAL 89 Ca 0.06 0.33 -0.12 0.00 -2.93 0.00 0.00 61.98 59.32 1m4q s VAL 89 Cb 0.05 -3.61 0.18 0.00 -1.53 0.00 0.00 36.38 31.48 1m4q s VAL 89 CO -0.10 0.34 0.60 -0.54 -3.33 0.00 0.00 175.10 172.08 1m4q s LYS 90 N -1.79 3.15 -0.13 1.54 -0.14 -1.20 -4.73 119.74 116.45 1m4q s LYS 90 Ca 0.30 -2.25 -0.29 0.00 -1.36 0.00 0.00 55.97 52.37 1m4q s LYS 90 Cb -0.14 -4.21 -0.01 0.00 -1.68 0.00 0.00 37.83 31.79 1m4q s LYS 90 CO 0.17 -1.26 0.99 -1.25 -0.76 0.00 0.00 175.35 173.24 1m4q s PRO 91 N 0.54 4.39 0.88 -1.68 0.04 -1.26 -4.62 135.00 133.30 1m4q s PRO 91 Ca 0.13 1.35 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 1m4q s PRO 91 Cb -0.18 -3.56 0.13 0.00 0.04 0.00 0.00 34.50 30.93 1m4q s PRO 91 CO -0.05 -0.36 1.18 0.95 0.04 0.00 0.00 177.00 178.77 1m4q s THR 92 N 2.17 1.98 0.25 1.26 -4.23 -1.26 -4.87 115.64 110.94 1m4q s THR 92 Ca 0.47 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 1m4q s THR 92 Cb -0.18 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 71.00 1m4q s THR 92 CO 0.16 0.00 1.82 0.28 -0.54 0.00 0.00 174.62 176.34 1m4q h SER 93 N -1.36 0.73 0.64 3.99 0.02 -2.06 -0.03 113.55 115.50 1m4q h SER 93 Ca -0.47 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1m4q h SER 93 Cb 1.32 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1m4q h SER 93 CO 0.60 0.42 -0.20 -1.20 -1.14 0.00 0.00 176.83 175.31 1m4q n SER 94 N -4.71 0.31 -4.93 3.07 7.64 -1.26 -4.87 113.62 108.87 1m4q n SER 94 Ca 0.14 -0.07 -0.25 0.00 1.01 0.00 0.00 58.87 59.70 1m4q n SER 94 Cb 0.28 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.34 1m4q n SER 94 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1m4q s MET 95 N -2.84 3.51 -0.02 1.43 0.00 -0.02 -2.93 119.30 118.42 1m4q s MET 95 Ca 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 55.69 55.65 1m4q s MET 95 Cb 0.19 -2.61 0.03 0.00 0.00 0.00 0.00 34.83 32.43 1m4q s MET 95 CO 0.57 0.10 0.03 -0.08 0.00 0.00 0.00 175.02 175.64 1m4q s THR 96 N -2.37 -0.05 0.23 10.11 -1.32 -1.24 -4.55 115.64 116.44 1m4q s THR 96 Ca 0.42 0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.83 1m4q s THR 96 Cb -0.10 -0.10 -0.09 0.00 -1.51 0.00 0.00 72.50 70.70 1m4q s THR 96 CO 0.37 0.10 1.20 -0.63 -2.21 0.00 0.00 174.62 173.46 1m4q s ILE 97 N 1.18 3.39 -0.28 5.08 1.01 -1.26 -3.22 121.20 127.10 1m4q s ILE 97 Ca -0.08 1.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.74 1m4q s ILE 97 Cb -0.13 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 1m4q s ILE 97 CO -0.03 0.23 0.09 -0.75 0.00 0.00 0.00 174.94 174.48 1m4q s LYS 98 N -0.70 3.40 0.73 2.79 2.36 -0.00 -4.97 119.74 123.34 1m4q s LYS 98 Ca 0.51 -0.65 -0.12 0.00 -2.55 0.00 0.00 55.97 53.16 1m4q s LYS 98 Cb -0.34 -3.39 0.03 0.00 -1.05 0.00 0.00 37.83 33.09 1m4q s LYS 98 CO 0.40 -0.32 1.09 0.95 1.55 0.00 0.00 175.35 179.02 1m4q s THR 99 N 1.58 3.39 -5.00 3.43 -4.23 -1.26 -4.40 115.64 109.14 1m4q s THR 99 Ca 0.05 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1m4q s THR 99 Cb -0.16 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1m4q s THR 99 CO 0.04 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 1m4q n GLY 100 N -1.08 -0.18 0.33 3.99 0.00 0.19 -4.80 105.19 103.64 1m4q n GLY 100 Ca 0.09 -1.71 0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 4.35 0.00 0.00 1.61 1.57 -1.98 0.11 116.57 122.23 1m4q h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1m4q h LYS 101 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1m4q h LYS 101 CO 0.00 0.00 -1.01 0.72 -0.57 0.00 0.00 179.45 178.59 1m4q n HIS 102 N -2.93 0.28 -3.61 -1.35 8.25 -1.26 -3.70 115.22 110.90 1m4q n HIS 102 Ca -0.02 0.08 -0.16 0.00 -0.26 0.00 0.00 57.72 57.36 1m4q n HIS 102 Cb 0.24 -0.45 -0.07 0.00 1.12 0.00 0.00 29.99 30.83 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 -3.20 0.02 -0.03 1.59 1.01 0.37 -3.20 120.40 116.97 1m4q s VAL 103 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1m4q s VAL 103 Cb 0.14 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1m4q s VAL 103 CO 0.80 -0.10 -0.03 0.44 0.00 0.00 0.00 175.10 176.21 1m4q h ASP 104 N 3.31 0.00 0.00 3.32 5.19 -1.73 0.56 116.42 127.08 1m4q h ASP 104 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1m4q h ASP 104 Cb 1.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1m4q h ASP 104 CO 0.39 0.18 0.00 0.00 -3.12 0.00 0.00 179.24 176.70 1m4q n ALA 105 N -2.45 0.00 0.82 3.45 0.00 -1.26 -4.53 120.51 116.54 1m4q n ALA 105 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1m4q n ALA 105 Cb 0.04 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.55 1m4q n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1m4q n ASN 106 N 0.00 0.67 0.00 0.00 2.85 -1.26 -4.95 115.26 112.57 1m4q n ASN 106 Ca 0.00 -0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.05 1m4q n ASN 106 Cb 0.00 0.68 0.00 0.00 1.24 0.00 0.00 39.78 41.70 1m4q n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m4q n GLY 107 N 1.44 1.77 3.77 8.20 0.00 -1.26 -4.92 105.19 114.19 1m4q n GLY 107 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.03 3.76 -0.05 1.61 0.00 -1.26 0.98 119.74 124.75 1m4q s LYS 108 Ca 0.00 1.90 -0.29 0.00 0.00 0.00 0.00 55.97 57.58 1m4q s LYS 108 Cb 0.00 -2.49 -0.02 0.00 0.00 0.00 0.00 37.83 35.32 1m4q s LYS 108 CO 0.00 -0.58 0.97 0.42 0.00 0.00 0.00 175.35 176.15 1m4q s ILE 109 N -1.45 4.85 -0.30 3.79 1.01 -0.75 -3.46 121.20 124.89 1m4q s ILE 109 Ca 0.62 1.99 0.22 0.00 0.00 0.00 0.00 60.65 63.49 1m4q s ILE 109 Cb -0.32 -4.29 -0.20 0.00 0.01 0.00 0.00 42.46 37.66 1m4q s ILE 109 CO 0.39 0.10 0.78 0.00 0.00 0.00 0.00 174.94 176.21 1m4q n TYR 110 N 4.40 0.29 -1.65 3.97 9.36 -1.19 -4.95 117.16 127.37 1m4q n TYR 110 Ca 0.07 0.08 -0.53 0.00 3.32 0.00 0.00 57.90 60.83 1m4q n TYR 110 Cb 0.50 -0.55 -0.06 0.00 -0.63 0.00 0.00 39.34 38.60 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 -2.22 2.23 -2.16 2.98 4.77 -1.24 -4.82 117.00 116.55 1m4q n LEU 111 Ca -0.01 1.08 -0.16 0.00 -0.03 0.00 0.00 56.01 56.90 1m4q n LEU 111 Cb 0.51 -1.21 -0.14 0.00 -2.33 0.00 0.00 43.42 40.25 1m4q n LEU 111 CO 0.43 -0.64 1.72 -0.81 -1.33 0.00 0.00 177.39 176.76 1m4q n PRO 112 N 4.15 2.18 -0.37 3.23 -0.04 -1.26 -4.58 135.00 138.30 1m4q n PRO 112 Ca 0.22 -1.29 0.03 0.00 -0.04 0.00 0.00 63.50 62.42 1m4q n PRO 112 Cb 0.18 -2.07 0.17 0.00 -0.04 0.00 0.00 33.50 31.75 1m4q n PRO 112 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1m4q h TYR 113 N 3.13 1.21 0.09 0.54 -0.00 -1.99 -0.80 116.97 119.15 1m4q h TYR 113 Ca 0.26 0.03 -0.00 0.00 0.00 0.00 0.00 58.73 59.02 1m4q h TYR 113 Cb 1.32 -0.40 0.00 0.00 0.00 0.00 0.00 36.73 37.65 1m4q h TYR 113 CO 1.75 0.63 -0.04 1.25 -0.00 0.00 0.00 178.16 181.74 1m4q h LEU 114 N 1.19 -0.10 0.00 0.10 5.85 -1.96 -3.03 115.31 117.35 1m4q h LEU 114 Ca 0.43 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1m4q h LEU 114 Cb 0.16 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1m4q h LEU 114 CO -0.17 0.43 0.00 1.41 -0.34 0.00 0.00 178.44 179.77 1m4q n HIS 115 N -4.89 0.00 0.00 1.25 8.25 -1.07 -3.64 115.22 115.12 1m4q n HIS 115 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1m4q n HIS 115 Cb 0.27 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1m4q n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1m4q n GLU 116 N -1.30 0.00 0.00 -0.41 -0.58 -0.33 -4.95 120.64 113.07 1m4q n GLU 116 Ca 0.03 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1m4q n GLU 116 Cb 0.06 -0.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 1m4q n GLU 116 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1m4q n TRP 117 N -1.44 0.00 -3.74 -0.32 -0.00 -1.16 -4.94 117.44 105.85 1m4q n TRP 117 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.27 1m4q n TRP 117 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.34 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 -0.16 -5.17 -0.03 5.87 4.81 -1.24 -4.92 118.16 117.32 1m4q n LYS 118 Ca 0.00 0.63 -0.16 0.00 -0.87 0.00 0.00 58.31 57.91 1m4q n LYS 118 Cb 0.00 -5.28 -0.08 0.00 0.02 0.00 0.00 35.03 29.69 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 -1.94 0.69 0.11 5.64 2.76 -1.92 -3.48 115.15 117.01 1m4q h HIS 119 Ca -0.60 -0.29 -0.01 0.00 -2.20 0.00 0.00 60.37 57.27 1m4q h HIS 119 Cb 1.36 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1m4q h HIS 119 CO 0.49 1.06 -0.05 -1.00 -1.30 0.00 0.00 177.93 177.13 1m4q h PRO 120 N 0.12 -0.15 0.00 5.26 0.13 -2.01 -3.50 132.00 131.86 1m4q h PRO 120 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1m4q h PRO 120 Cb 1.10 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1m4q h PRO 120 CO 0.10 -0.10 0.00 0.94 -0.23 0.00 0.00 178.00 178.71 1m4q n GLN 121 N -3.47 0.00 -2.91 0.86 -0.06 -1.26 -4.93 117.38 105.61 1m4q n GLN 121 Ca -0.02 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.60 1m4q n GLN 121 Cb 0.06 -0.05 -0.06 0.00 -4.06 0.00 0.00 30.24 26.12 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 7.32 0.53 1.69 0.15 -1.26 -5.07 113.70 117.06 1m4q s SER 122 Ca 0.00 1.69 0.03 0.00 0.70 0.00 0.00 55.95 58.37 1m4q s SER 122 Cb 0.00 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.82 1m4q s SER 122 CO 0.00 0.06 0.22 -0.90 1.20 0.00 0.00 173.24 173.82 1m4q n ASP 123 N 0.97 3.07 -0.40 5.45 5.68 -1.26 -4.90 116.55 125.16 1m4q n ASP 123 Ca -0.02 -3.06 0.32 0.00 -0.50 0.00 0.00 54.79 51.54 1m4q n ASP 123 Cb 0.50 0.14 0.62 0.00 -1.14 0.00 0.00 41.12 41.24 1m4q n ASP 123 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1m4q h LEU 124 N 0.00 0.27 0.41 -2.12 5.85 -1.94 0.11 115.31 117.89 1m4q h LEU 124 Ca -0.39 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1m4q h LEU 124 Cb 1.28 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1m4q h LEU 124 CO 0.62 -0.04 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.41 1m4q h LEU 125 N 0.18 -0.47 -1.64 2.25 4.07 -1.94 -2.94 115.31 114.82 1m4q h LEU 125 Ca 0.70 -0.11 0.07 0.00 0.08 0.00 0.00 57.88 58.62 1m4q h LEU 125 Cb 2.20 0.12 -0.03 0.00 1.08 0.00 0.00 40.66 44.03 1m4q h LEU 125 CO -0.29 -0.06 0.35 1.23 -1.08 0.00 0.00 178.44 178.60 1m4q h GLY 126 N -0.99 0.56 0.39 0.83 0.00 -1.44 -1.36 103.07 101.06 1m4q h GLY 126 Ca -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1m4q h GLY 126 CO 0.09 0.13 -0.23 -2.00 0.00 0.00 0.00 176.54 174.53 1m4q h LEU 127 N 0.44 -0.58 -2.00 3.11 6.46 -0.86 -2.46 115.31 119.42 1m4q h LEU 127 Ca 0.23 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 58.09 1m4q h LEU 127 Cb 0.35 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1m4q h LEU 127 CO -0.06 -0.36 0.17 0.40 -0.62 0.00 0.00 178.44 177.96 1m4q h ILE 128 N -0.58 0.88 -0.90 4.05 2.04 -1.38 -1.21 117.51 120.42 1m4q h ILE 128 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1m4q h ILE 128 Cb 0.46 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1m4q h ILE 128 CO 0.06 0.00 0.56 -0.61 0.00 0.00 0.00 178.15 178.16 1m4q h GLN 129 N 0.00 0.99 -0.06 2.37 4.15 -0.94 0.21 115.11 121.83 1m4q h GLN 129 Ca 0.11 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1m4q h GLN 129 Cb 0.44 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1m4q h GLN 129 CO -0.00 0.66 0.01 0.28 -1.93 0.00 0.00 178.83 177.85 1m4q h VAL 130 N 1.02 1.20 -0.60 2.39 2.07 -0.76 0.11 116.25 121.68 1m4q h VAL 130 Ca 0.39 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1m4q h VAL 130 Cb 0.18 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1m4q h VAL 130 CO -0.18 0.17 0.40 -0.03 0.02 0.00 0.00 177.57 177.95 1m4q h MET 131 N -0.12 0.68 -0.30 1.57 1.85 -1.32 0.22 114.93 117.50 1m4q h MET 131 Ca 0.02 -0.04 -0.13 0.00 -0.61 0.00 0.00 59.70 58.93 1m4q h MET 131 Cb 0.25 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 32.13 1m4q h MET 131 CO 0.00 0.45 -0.34 0.82 -0.40 0.00 0.00 176.91 177.44 1m4q h ILE 132 N 0.70 1.29 0.15 1.77 2.04 -0.26 0.59 117.51 123.79 1m4q h ILE 132 Ca 0.24 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1m4q h ILE 132 Cb 0.10 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1m4q h ILE 132 CO -0.07 0.49 -0.07 0.58 0.00 0.00 0.00 178.15 179.08 1m4q h VAL 133 N 0.52 0.99 0.11 1.67 2.07 0.15 0.39 116.25 122.14 1m4q h VAL 133 Ca 0.04 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1m4q h VAL 133 Cb 0.92 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1m4q h VAL 133 CO 0.08 0.15 -0.07 0.58 0.02 0.00 0.00 177.57 178.33 1m4q h VAL 134 N -0.51 0.85 0.00 2.57 2.07 -0.66 -1.72 116.25 118.85 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 0.40 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1m4q h VAL 134 CO 0.03 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.36 1m4q h PHE 135 N -0.18 0.00 -0.73 1.57 -1.00 -0.90 0.55 116.94 116.25 1m4q h PHE 135 Ca -0.01 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 1m4q h PHE 135 Cb 0.15 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 1m4q h PHE 135 CO -0.09 0.00 0.27 0.78 -1.61 0.00 0.00 178.31 177.67 1m4q h GLY 136 N 1.40 1.19 0.00 -1.45 0.00 0.05 -3.35 103.07 100.91 1m4q h GLY 136 Ca 0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 47.33 46.36 1m4q h GLY 136 CO 0.00 0.63 -2.11 1.22 0.00 0.00 0.00 176.54 176.28 1m4q n ASP 137 N -4.32 2.16 -4.50 0.19 9.92 -1.09 -4.16 116.55 114.76 1m4q n ASP 137 Ca 0.06 0.01 -0.43 0.00 -0.53 0.00 0.00 54.79 53.90 1m4q n ASP 137 Cb 0.20 -0.40 -0.05 0.00 -0.64 0.00 0.00 41.12 40.22 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 -2.38 3.26 -0.36 -1.24 -6.30 0.17 -5.02 118.70 106.83 1m4q s GLU 138 Ca -0.27 -0.48 -0.29 0.00 -2.50 0.00 0.00 54.97 51.44 1m4q s GLU 138 Cb 0.08 -4.06 -0.01 0.00 0.00 0.00 0.00 34.13 30.15 1m4q s GLU 138 CO 0.42 -1.36 1.59 -1.25 0.02 0.00 0.00 175.26 174.68 1m4q s PRO 139 N 3.42 3.50 0.20 4.30 0.04 -1.26 -4.03 135.00 141.17 1m4q s PRO 139 Ca 0.25 1.22 0.15 0.00 0.04 0.00 0.00 61.00 62.66 1m4q s PRO 139 Cb -0.15 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.28 1m4q s PRO 139 CO 0.17 -1.65 1.23 -1.00 0.04 0.00 0.00 177.00 175.79 1m4q h PRO 140 N 11.59 0.00 -1.31 0.56 0.13 -1.89 -3.43 132.00 137.64 1m4q h PRO 140 Ca -0.31 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.64 1m4q h PRO 140 Cb 1.14 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.04 1m4q h PRO 140 CO 1.05 0.44 -0.55 0.54 -0.23 0.00 0.00 178.00 179.26 1m4q s VAL 141 N -2.95 -0.76 -0.12 1.56 0.11 -1.26 -0.82 120.40 116.16 1m4q s VAL 141 Ca 0.02 -0.63 -0.18 0.00 -2.93 0.00 0.00 61.98 58.26 1m4q s VAL 141 Cb 0.08 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 1m4q s VAL 141 CO 0.77 -0.22 0.46 0.72 -3.33 0.00 0.00 175.10 173.50 1m4q s PHE 142 N 1.41 3.51 0.57 1.54 -0.71 -1.20 -4.75 117.98 118.34 1m4q s PHE 142 Ca 0.21 0.86 -0.04 0.00 -1.04 0.00 0.00 56.93 56.92 1m4q s PHE 142 Cb -0.05 -2.53 0.01 0.00 -1.21 0.00 0.00 43.02 39.24 1m4q s PHE 142 CO -0.06 0.18 0.86 0.45 -1.34 0.00 0.00 175.22 175.30 1m4q s SER 143 N 0.60 5.56 0.62 1.98 0.15 -1.26 -3.73 113.70 117.62 1m4q s SER 143 Ca 0.25 0.57 -0.14 0.00 0.70 0.00 0.00 55.95 57.33 1m4q s SER 143 Cb -0.15 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.56 1m4q s SER 143 CO 0.10 -1.04 1.05 0.00 1.20 0.00 0.00 173.24 174.55 1m4q s ARG 144 N -4.91 3.30 0.00 5.44 1.70 -1.15 -4.96 118.95 118.37 1m4q s ARG 144 Ca 0.53 1.07 0.16 0.00 -0.47 0.00 0.00 55.73 57.02 1m4q s ARG 144 Cb -0.10 -2.03 0.94 0.00 -0.57 0.00 0.00 34.95 33.19 1m4q s ARG 144 CO 0.43 -0.82 1.36 -0.35 -1.08 0.00 0.00 175.30 174.84