#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kmm s ILE 5 N 0.00 4.89 0.47 -1.44 1.01 -1.26 -5.11 121.20 119.76 1kmm s ILE 5 Ca 0.00 0.54 0.06 0.00 0.00 0.00 0.00 60.65 61.25 1kmm s ILE 5 Cb 0.00 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1kmm s ILE 5 CO 0.00 -0.10 0.23 -1.10 0.00 0.00 0.00 174.94 173.97 1kmm s GLN 6 N -2.88 2.25 0.28 2.79 -1.52 -1.26 -5.12 119.66 114.21 1kmm s GLN 6 Ca 0.49 -1.97 -0.21 0.00 -1.95 0.00 0.00 55.36 51.71 1kmm s GLN 6 Cb -0.11 -1.97 -0.09 0.00 -0.22 0.00 0.00 33.01 30.62 1kmm s GLN 6 CO 0.21 -0.31 0.82 0.00 -0.25 0.00 0.00 175.29 175.76 1kmm s ALA 7 N -2.69 3.31 0.32 6.09 0.00 -1.26 -4.98 121.76 122.54 1kmm s ALA 7 Ca 0.34 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 1kmm s ALA 7 Cb 0.01 -2.96 -0.13 0.00 0.00 0.00 0.00 23.12 20.05 1kmm s ALA 7 CO 0.19 0.26 1.32 -0.89 0.00 0.00 0.00 175.76 176.65 1kmm n ILE 8 N 0.47 1.74 -1.74 0.00 5.41 -1.26 -4.85 119.36 119.12 1kmm n ILE 8 Ca 0.00 -0.43 -0.42 0.00 1.00 0.00 0.00 62.75 62.90 1kmm n ILE 8 Cb 0.51 -1.55 -0.01 0.00 -0.71 0.00 0.00 39.64 37.88 1kmm n ILE 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1kmm n ARG 9 N 0.93 2.65 -0.95 0.38 0.63 -1.26 -2.33 116.66 116.71 1kmm n ARG 9 Ca 0.06 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 1kmm n ARG 9 Cb 0.35 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.55 1kmm n ARG 9 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1kmm n GLY 10 N 1.95 0.48 2.92 5.14 0.00 -1.26 -4.82 105.19 109.60 1kmm n GLY 10 Ca 0.08 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1kmm n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kmm s MET 11 N -0.68 1.52 0.39 1.61 -1.94 -0.98 -0.19 119.30 119.02 1kmm s MET 11 Ca 0.00 -0.95 -0.11 0.00 -1.71 0.00 0.00 55.69 52.92 1kmm s MET 11 Cb 0.00 -2.55 -0.07 0.00 2.01 0.00 0.00 34.83 34.23 1kmm s MET 11 CO 0.00 -0.61 0.76 -0.80 -0.01 0.00 0.00 175.02 174.36 1kmm s ASN 12 N 1.43 6.56 -0.06 3.03 0.01 -1.26 -4.62 114.94 120.03 1kmm s ASN 12 Ca -0.05 1.16 0.00 0.00 -0.71 0.00 0.00 52.86 53.26 1kmm s ASN 12 Cb -0.19 -2.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 1kmm s ASN 12 CO -0.07 -0.37 -0.05 -1.81 -1.51 0.00 0.00 177.10 173.30 1kmm s ASP 13 N -3.01 4.82 -0.33 -1.22 1.01 -1.26 -5.10 116.67 111.59 1kmm s ASP 13 Ca 0.52 0.02 -0.03 0.00 0.71 0.00 0.00 52.55 53.76 1kmm s ASP 13 Cb -0.10 -1.25 0.06 0.00 1.01 0.00 0.00 42.92 42.64 1kmm s ASP 13 CO 0.29 0.36 0.06 -0.31 0.21 0.00 0.00 175.17 175.78 1kmm s TYR 14 N -0.86 3.32 0.80 4.23 2.02 -1.26 -5.09 117.35 120.51 1kmm s TYR 14 Ca 0.13 -1.87 -0.11 0.00 -0.37 0.00 0.00 57.07 54.85 1kmm s TYR 14 Cb -0.11 -2.36 0.07 0.00 -0.40 0.00 0.00 41.96 39.16 1kmm s TYR 14 CO 0.02 -0.82 1.09 -0.51 -1.57 0.00 0.00 175.55 173.77 1kmm s LEU 15 N 1.27 2.64 0.17 -1.29 1.43 -1.26 -4.60 118.68 117.04 1kmm s LEU 15 Ca -0.02 1.41 -0.26 0.00 -1.03 0.00 0.00 54.13 54.24 1kmm s LEU 15 Cb -0.20 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 42.00 1kmm s LEU 15 CO -0.01 -2.01 1.47 -2.65 0.23 0.00 0.00 176.35 173.38 1kmm n PRO 16 N -3.47 -0.36 -0.15 1.29 -0.02 -1.26 -0.83 135.00 130.20 1kmm n PRO 16 Ca 0.07 1.45 0.17 0.00 -2.02 0.00 0.00 63.50 63.17 1kmm n PRO 16 Cb 0.55 -2.13 0.55 0.00 -0.02 0.00 0.00 33.50 32.45 1kmm n PRO 16 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1kmm h GLY 17 N 0.00 0.57 1.15 -1.23 0.00 -2.03 -2.53 103.07 99.01 1kmm h GLY 17 Ca 0.21 -0.14 -0.32 0.00 0.00 0.00 0.00 47.33 47.08 1kmm h GLY 17 CO -0.91 0.04 -1.59 -2.09 0.00 0.00 0.00 176.54 171.99 1kmm h GLU 18 N 0.33 0.27 -0.09 4.80 4.57 -1.33 -3.34 114.58 119.78 1kmm h GLU 18 Ca 0.37 -0.45 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1kmm h GLU 18 Cb 0.96 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1kmm h GLU 18 CO -0.10 1.13 0.04 1.79 -1.18 0.00 0.00 179.01 180.68 1kmm h THR 19 N 0.07 1.04 -0.98 0.32 1.35 -0.71 -1.61 112.91 112.39 1kmm h THR 19 Ca -0.27 -0.12 0.02 0.00 -0.55 0.00 0.00 66.41 65.50 1kmm h THR 19 Cb 2.03 0.93 -0.05 0.00 -1.73 0.00 0.00 68.15 69.33 1kmm h THR 19 CO 0.16 0.04 0.65 0.00 -0.25 0.00 0.00 175.52 176.12 1kmm h ALA 20 N 1.92 1.33 -0.30 6.62 0.00 -1.66 0.33 119.26 127.50 1kmm h ALA 20 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1kmm h ALA 20 Cb 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1kmm h ALA 20 CO -0.00 0.59 -0.25 0.82 0.00 0.00 0.00 179.25 180.41 1kmm h ILE 21 N 1.28 1.27 -0.42 0.00 5.03 -1.48 -2.59 117.51 120.60 1kmm h ILE 21 Ca 0.38 -1.31 -0.07 0.00 -0.12 0.00 0.00 64.86 63.73 1kmm h ILE 21 Cb -0.07 1.31 -0.01 0.00 -3.03 0.00 0.00 36.82 35.02 1kmm h ILE 21 CO -0.10 0.42 -0.01 -0.50 -0.68 0.00 0.00 178.15 177.28 1kmm h TRP 22 N 0.52 0.83 -0.25 1.37 4.06 -0.83 -1.51 115.95 120.14 1kmm h TRP 22 Ca 0.07 -0.15 0.01 0.00 2.06 0.00 0.00 58.89 60.88 1kmm h TRP 22 Cb 0.71 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 1kmm h TRP 22 CO 0.03 0.83 0.15 1.96 -3.56 0.00 0.00 178.44 177.85 1kmm h GLN 23 N 0.59 0.31 -0.51 0.49 4.20 -0.33 0.94 115.11 120.79 1kmm h GLN 23 Ca 0.12 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1kmm h GLN 23 Cb 0.51 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1kmm h GLN 23 CO 0.02 0.20 0.20 0.00 -0.67 0.00 0.00 178.83 178.58 1kmm h ARG 24 N 0.31 0.78 -0.36 1.46 2.47 -1.36 -1.36 114.38 116.31 1kmm h ARG 24 Ca 0.10 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1kmm h ARG 24 Cb -0.02 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 1kmm h ARG 24 CO -0.04 0.69 0.16 0.82 0.56 0.00 0.00 179.97 182.17 1kmm h ILE 25 N 0.69 1.17 -0.00 2.04 2.04 -1.06 -2.83 117.51 119.56 1kmm h ILE 25 Ca 0.17 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1kmm h ILE 25 Cb 0.21 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1kmm h ILE 25 CO -0.01 0.19 -0.02 -0.33 0.00 0.00 0.00 178.15 177.98 1kmm h GLU 26 N 0.44 -0.03 -0.61 2.37 5.08 -0.53 -2.61 114.58 118.69 1kmm h GLU 26 Ca 0.12 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.61 1kmm h GLU 26 Cb 0.14 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.28 1kmm h GLU 26 CO -0.01 -0.02 -0.17 0.78 -1.00 0.00 0.00 179.01 178.59 1kmm h GLY 27 N -0.03 0.39 0.75 -3.84 0.00 -1.13 0.13 103.07 99.33 1kmm h GLY 27 Ca 0.01 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1kmm h GLY 27 CO -0.02 -0.24 0.26 -0.84 0.00 0.00 0.00 176.54 175.71 1kmm h THR 28 N -0.02 0.97 -0.36 4.70 2.02 -1.25 0.18 112.91 119.15 1kmm h THR 28 Ca 0.29 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1kmm h THR 28 Cb 0.47 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1kmm h THR 28 CO -0.64 0.09 0.11 -0.07 0.37 0.00 0.00 175.52 175.38 1kmm h LEU 29 N 0.51 0.53 -0.94 2.58 3.38 -0.65 -0.35 115.31 120.37 1kmm h LEU 29 Ca 0.22 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1kmm h LEU 29 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1kmm h LEU 29 CO -0.15 0.60 0.05 0.11 0.09 0.00 0.00 178.44 179.14 1kmm h LYS 30 N 0.43 0.83 0.19 1.13 1.57 -0.54 -1.17 116.57 119.01 1kmm h LYS 30 Ca 0.11 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1kmm h LYS 30 Cb 0.26 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1kmm h LYS 30 CO -0.00 0.80 -0.09 -0.97 -0.57 0.00 0.00 179.45 178.61 1kmm h ASN 31 N 0.78 -0.22 -0.85 0.86 -0.73 -0.38 -1.50 115.58 113.55 1kmm h ASN 31 Ca 0.16 -0.21 0.18 0.00 1.87 0.00 0.00 56.30 58.29 1kmm h ASN 31 Cb 0.40 0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.98 1kmm h ASN 31 CO 0.01 0.10 0.56 0.58 -0.37 0.00 0.00 177.43 178.31 1kmm h VAL 32 N -0.56 0.74 -0.12 2.57 2.07 -0.81 0.40 116.25 120.54 1kmm h VAL 32 Ca -0.03 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 1kmm h VAL 32 Cb 0.42 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1kmm h VAL 32 CO 0.04 0.08 -0.49 -0.07 0.02 0.00 0.00 177.57 177.16 1kmm h LEU 33 N 0.43 0.34 -0.46 2.57 3.38 -0.98 -3.03 115.31 117.57 1kmm h LEU 33 Ca 0.43 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1kmm h LEU 33 Cb 1.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1kmm h LEU 33 CO -0.16 0.77 0.14 1.23 0.09 0.00 0.00 178.44 180.52 1kmm h GLY 34 N 1.27 0.76 1.87 0.83 0.00 0.83 -2.37 103.07 106.27 1kmm h GLY 34 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1kmm h GLY 34 CO 0.08 0.42 0.00 -1.14 0.00 0.00 0.00 176.54 175.90 1kmm n SER 35 N -4.54 0.00 -0.12 0.19 3.41 -0.58 -1.33 113.62 110.65 1kmm n SER 35 Ca 0.01 0.42 0.08 0.00 -0.26 0.00 0.00 58.87 59.12 1kmm n SER 35 Cb 0.19 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 1kmm n SER 35 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1kmm n TYR 36 N -1.44 0.00 -0.60 7.33 4.02 -0.91 -5.01 117.16 120.55 1kmm n TYR 36 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1kmm n TYR 36 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1kmm n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kmm n GLY 37 N 1.30 0.63 3.73 2.72 0.00 -0.44 -5.06 105.19 108.07 1kmm n GLY 37 Ca 0.04 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1kmm n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kmm s TYR 38 N -2.00 3.64 0.03 1.61 1.51 -1.12 -4.92 117.35 116.10 1kmm s TYR 38 Ca 0.00 1.30 -0.06 0.00 -1.01 0.00 0.00 57.07 57.30 1kmm s TYR 38 Cb 0.00 -2.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.03 1kmm s TYR 38 CO 0.00 0.19 0.28 -1.12 -1.11 0.00 0.00 175.55 173.79 1kmm s SER 39 N 0.39 6.49 0.32 2.29 0.01 -0.60 -4.64 113.70 117.95 1kmm s SER 39 Ca 0.37 0.54 -0.27 0.00 1.31 0.00 0.00 55.95 57.91 1kmm s SER 39 Cb -0.19 -2.08 -0.10 0.00 0.21 0.00 0.00 66.02 63.87 1kmm s SER 39 CO 0.19 0.22 0.97 -0.70 0.41 0.00 0.00 173.24 174.33 1kmm s GLU 40 N -1.95 4.57 -0.07 12.44 2.12 -1.26 -1.80 118.70 132.75 1kmm s GLU 40 Ca 0.30 1.41 0.01 0.00 0.36 0.00 0.00 54.97 57.05 1kmm s GLU 40 Cb -0.13 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.42 1kmm s GLU 40 CO 0.18 0.25 -0.07 -1.50 -0.54 0.00 0.00 175.26 173.59 1kmm s ILE 41 N -1.53 0.79 -0.22 -3.70 2.07 0.14 -4.89 121.20 113.86 1kmm s ILE 41 Ca 0.50 -0.22 -0.08 0.00 -1.41 0.00 0.00 60.65 59.43 1kmm s ILE 41 Cb -0.21 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 1kmm s ILE 41 CO 0.27 0.30 0.10 -0.13 -1.91 0.00 0.00 174.94 173.56 1kmm s ARG 42 N 1.18 3.89 0.14 3.50 0.52 -1.26 -4.35 118.95 122.56 1kmm s ARG 42 Ca -0.06 -0.37 0.10 0.00 -0.52 0.00 0.00 55.73 54.88 1kmm s ARG 42 Cb -0.14 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1kmm s ARG 42 CO -0.02 0.04 -0.23 -0.51 0.02 0.00 0.00 175.30 174.61 1kmm s LEU 43 N 1.03 2.35 0.51 2.53 1.43 -1.26 -5.13 118.68 120.14 1kmm s LEU 43 Ca 0.05 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 52.17 1kmm s LEU 43 Cb -0.14 -1.05 -0.08 0.00 0.03 0.00 0.00 46.19 44.96 1kmm s LEU 43 CO 0.03 0.10 0.99 -2.65 0.23 0.00 0.00 176.35 175.05 1kmm n PRO 44 N 0.77 1.17 0.13 1.29 -0.02 -1.26 -4.95 135.00 132.13 1kmm n PRO 44 Ca -0.17 0.43 0.01 0.00 -2.02 0.00 0.00 63.50 61.75 1kmm n PRO 44 Cb 0.54 -2.12 0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1kmm n PRO 44 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1kmm h ILE 45 N 1.06 1.06 -3.70 4.25 2.04 -1.96 -3.45 117.51 116.81 1kmm h ILE 45 Ca -0.47 -2.37 -0.68 0.00 1.00 0.00 0.00 64.86 62.34 1kmm h ILE 45 Cb 1.35 2.44 -0.18 0.00 -0.74 0.00 0.00 36.82 39.68 1kmm h ILE 45 CO 0.54 0.58 -0.73 -0.69 0.00 0.00 0.00 178.15 177.85 1kmm s VAL 46 N -3.02 3.45 0.28 1.67 1.01 -1.26 -1.79 120.40 120.74 1kmm s VAL 46 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1kmm s VAL 46 Cb 0.09 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1kmm s VAL 46 CO 0.75 0.39 0.23 -1.61 0.00 0.00 0.00 175.10 174.86 1kmm s GLU 47 N -1.39 1.55 0.18 2.72 0.41 -0.57 -4.96 118.70 116.63 1kmm s GLU 47 Ca 0.16 -1.86 -0.30 0.00 -0.41 0.00 0.00 54.97 52.57 1kmm s GLU 47 Cb -0.11 0.31 -0.08 0.00 -1.78 0.00 0.00 34.13 32.47 1kmm s GLU 47 CO 0.07 -0.55 1.05 -0.65 -0.49 0.00 0.00 175.26 174.68 1kmm s GLN 48 N -3.71 4.66 0.31 1.61 -0.21 -1.26 -0.69 119.66 120.36 1kmm s GLN 48 Ca 0.40 1.63 0.05 0.00 0.02 0.00 0.00 55.36 57.46 1kmm s GLN 48 Cb 0.04 -3.29 0.71 0.00 1.00 0.00 0.00 33.01 31.47 1kmm s GLN 48 CO 0.21 0.18 1.80 1.15 -2.12 0.00 0.00 175.29 176.51 1kmm h THR 49 N 3.67 0.77 -0.10 -0.19 2.02 -1.76 -1.00 112.91 116.31 1kmm h THR 49 Ca -0.44 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.49 1kmm h THR 49 Cb 1.21 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1kmm h THR 49 CO 0.71 0.15 0.13 -0.65 0.37 0.00 0.00 175.52 176.23 1kmm h PRO 50 N 0.81 0.00 0.30 6.66 0.11 -1.92 -2.25 132.00 135.70 1kmm h PRO 50 Ca 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.64 1kmm h PRO 50 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1kmm h PRO 50 CO -0.33 0.00 -0.14 1.25 -0.21 0.00 0.00 178.00 178.57 1kmm h LEU 51 N 0.00 -0.34 -1.30 2.35 5.85 -1.57 0.29 115.31 120.59 1kmm h LEU 51 Ca 0.05 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1kmm h LEU 51 Cb 0.32 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1kmm h LEU 51 CO -0.00 -0.22 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.35 1kmm h PHE 52 N -0.43 0.00 0.01 1.25 0.04 -1.55 0.06 116.94 116.32 1kmm h PHE 52 Ca -0.04 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 1kmm h PHE 52 Cb 0.33 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.48 1kmm h PHE 52 CO -0.05 0.27 -0.26 0.87 -0.60 0.00 0.00 178.31 178.55 1kmm h LYS 53 N 0.00 0.16 -0.41 1.51 1.57 -1.17 -2.22 116.57 116.01 1kmm h LYS 53 Ca -0.00 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1kmm h LYS 53 Cb 0.67 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1kmm h LYS 53 CO 0.04 0.95 0.18 0.00 -0.57 0.00 0.00 179.45 180.04 1kmm h ARG 54 N -0.55 0.60 0.25 3.15 2.47 -0.27 -2.66 114.38 117.37 1kmm h ARG 54 Ca -0.03 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 1kmm h ARG 54 Cb 1.04 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 1kmm h ARG 54 CO 0.05 0.54 -0.12 0.00 0.56 0.00 0.00 179.97 181.00 1kmm h ALA 55 N 1.02 -0.37 -0.22 0.04 0.00 -1.09 -3.39 119.26 115.25 1kmm h ALA 55 Ca 0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1kmm h ALA 55 Cb 0.16 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1kmm h ALA 55 CO -0.01 -0.35 -0.39 0.82 0.00 0.00 0.00 179.25 179.32 1kmm h ILE 56 N -0.96 1.30 0.00 0.00 2.04 -1.54 -3.37 117.51 114.97 1kmm h ILE 56 Ca -0.03 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.29 1kmm h ILE 56 Cb 0.26 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1kmm h ILE 56 CO 0.06 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.30 1kmm n GLY 57 N -0.07 3.06 0.21 5.37 0.00 -1.00 -1.12 105.19 111.63 1kmm n GLY 57 Ca -0.01 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 1kmm n GLY 57 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1kmm h GLU 58 N 0.00 0.68 -1.36 1.61 4.39 -1.91 -3.30 114.58 114.69 1kmm h GLU 58 Ca 0.00 -0.39 -0.35 0.00 0.34 0.00 0.00 59.36 58.96 1kmm h GLU 58 Cb 0.00 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 28.52 1kmm h GLU 58 CO 0.00 1.00 0.45 1.33 -1.16 0.00 0.00 179.01 180.63 1kmm n VAL 59 N -4.25 2.74 -4.20 3.13 0.24 -1.26 -4.20 118.33 110.53 1kmm n VAL 59 Ca -0.05 -1.65 -0.27 0.00 -2.04 0.00 0.00 64.34 60.33 1kmm n VAL 59 Cb 0.50 -1.19 -0.08 0.00 -1.47 0.00 0.00 33.84 31.60 1kmm n VAL 59 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1kmm s THR 60 N -2.44 3.71 0.47 3.34 -4.23 -1.24 -5.01 115.64 110.24 1kmm s THR 60 Ca 0.34 -1.36 0.15 0.00 -1.18 0.00 0.00 61.69 59.64 1kmm s THR 60 Cb 0.27 -2.84 0.21 0.00 1.34 0.00 0.00 72.50 71.48 1kmm s THR 60 CO 0.01 -0.06 2.04 0.44 -0.54 0.00 0.00 174.62 176.50 1kmm h ASP 61 N 2.88 0.00 0.36 3.99 3.32 -1.90 0.10 116.42 125.17 1kmm h ASP 61 Ca -0.47 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1kmm h ASP 61 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1kmm h ASP 61 CO 0.58 0.13 -0.17 0.58 -1.72 0.00 0.00 179.24 178.63 1kmm h VAL 62 N 0.00 0.61 -0.37 -1.35 2.07 -1.92 -0.39 116.25 114.89 1kmm h VAL 62 Ca -0.00 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 1kmm h VAL 62 Cb 0.23 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1kmm h VAL 62 CO 0.02 0.09 -0.27 0.58 0.02 0.00 0.00 177.57 178.01 1kmm h VAL 63 N -0.80 1.28 0.43 2.57 2.07 -1.78 -0.03 116.25 120.00 1kmm h VAL 63 Ca -0.05 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1kmm h VAL 63 Cb 0.52 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1kmm h VAL 63 CO 0.08 0.47 -0.21 -0.33 0.02 0.00 0.00 177.57 177.61 1kmm h GLU 64 N 0.62 -0.56 0.00 1.57 5.08 -0.83 -3.40 114.58 117.06 1kmm h GLU 64 Ca 0.07 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1kmm h GLU 64 Cb 0.84 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1kmm h GLU 64 CO 0.07 -0.36 0.00 0.36 -1.00 0.00 0.00 179.01 178.08 1kmm n LYS 65 N -5.33 0.84 -0.02 2.33 2.85 -0.18 -4.93 118.16 113.72 1kmm n LYS 65 Ca -0.11 -0.76 0.00 0.00 -1.05 0.00 0.00 58.31 56.39 1kmm n LYS 65 Cb 0.25 -0.76 -0.06 0.00 -0.65 0.00 0.00 35.03 33.81 1kmm n LYS 65 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1kmm n GLU 66 N -0.17 1.56 -1.83 -1.58 1.02 -0.09 -4.79 120.64 114.77 1kmm n GLU 66 Ca 0.00 -0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.71 1kmm n GLU 66 Cb 0.28 -1.18 0.02 0.00 -0.02 0.00 0.00 31.44 30.54 1kmm n GLU 66 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1kmm s MET 67 N -2.35 3.55 -0.97 3.49 -1.94 -0.81 -0.17 119.30 120.10 1kmm s MET 67 Ca -0.03 2.32 -0.14 0.00 -1.71 0.00 0.00 55.69 56.13 1kmm s MET 67 Cb 0.03 -2.54 0.20 0.00 2.01 0.00 0.00 34.83 34.54 1kmm s MET 67 CO 0.30 -0.89 1.04 0.71 -0.01 0.00 0.00 175.02 176.17 1kmm s TYR 68 N -1.25 3.64 0.17 -0.03 1.51 -1.26 -4.81 117.35 115.32 1kmm s TYR 68 Ca 0.64 -1.98 0.02 0.00 -1.01 0.00 0.00 57.07 54.74 1kmm s TYR 68 Cb -0.42 -4.04 -0.04 0.00 -0.11 0.00 0.00 41.96 37.36 1kmm s TYR 68 CO 0.52 -1.19 0.32 0.99 -1.11 0.00 0.00 175.55 175.08 1kmm s THR 69 N 0.84 5.29 0.17 -0.71 2.01 -1.26 -2.02 115.64 119.96 1kmm s THR 69 Ca 0.29 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.43 1kmm s THR 69 Cb -0.07 -3.75 0.06 0.00 0.01 0.00 0.00 72.50 68.75 1kmm s THR 69 CO -0.08 -0.14 0.92 0.72 -0.69 0.00 0.00 174.62 175.36 1kmm s PHE 70 N -1.80 -0.15 -0.10 4.92 -0.71 -0.45 -5.00 117.98 114.68 1kmm s PHE 70 Ca 0.36 -0.18 -0.04 0.00 -1.04 0.00 0.00 56.93 56.03 1kmm s PHE 70 Cb -0.11 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1kmm s PHE 70 CO 0.29 -0.88 0.04 -1.21 -1.34 0.00 0.00 175.22 172.12 1kmm s GLU 71 N -3.37 3.18 0.39 1.99 2.02 -1.26 -0.66 118.70 120.98 1kmm s GLU 71 Ca 0.12 -0.34 -0.05 0.00 0.02 0.00 0.00 54.97 54.72 1kmm s GLU 71 Cb -0.02 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 1kmm s GLU 71 CO 0.03 0.68 0.68 0.34 0.02 0.00 0.00 175.26 177.00 1kmm s ASP 72 N -0.80 6.38 0.61 -0.19 2.15 -0.30 -4.95 116.67 119.57 1kmm s ASP 72 Ca 0.12 0.83 0.26 0.00 0.43 0.00 0.00 52.55 54.20 1kmm s ASP 72 Cb -0.12 -2.20 1.12 0.00 -0.30 0.00 0.00 42.92 41.42 1kmm s ASP 72 CO 0.03 -0.38 1.53 0.03 -0.17 0.00 0.00 175.17 176.21 1kmm h ARG 73 N 0.96 0.00 -0.61 4.34 3.08 -2.00 0.34 114.38 120.49 1kmm h ARG 73 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1kmm h ARG 73 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1kmm h ARG 73 CO 0.63 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.80 1kmm n ASN 74 N -3.35 3.53 0.00 7.04 2.04 -1.26 -4.94 115.26 118.32 1kmm n ASN 74 Ca 0.15 -2.15 0.00 0.00 -0.44 0.00 0.00 54.58 52.15 1kmm n ASN 74 Cb 1.14 -0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.94 1kmm n ASN 74 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1kmm n GLY 75 N 1.27 3.17 3.74 4.83 0.00 0.12 -5.02 105.19 113.31 1kmm n GLY 75 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1kmm n GLY 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kmm s ASP 76 N -0.87 4.96 -0.24 1.61 1.01 -1.26 -4.71 116.67 117.18 1kmm s ASP 76 Ca 0.00 2.55 -0.16 0.00 0.71 0.00 0.00 52.55 55.65 1kmm s ASP 76 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1kmm s ASP 76 CO 0.00 -1.76 0.41 -0.55 0.21 0.00 0.00 175.17 173.48 1kmm s SER 77 N -1.40 6.38 -0.07 0.27 0.15 -1.26 -1.15 113.70 116.62 1kmm s SER 77 Ca 0.79 0.44 0.02 0.00 0.70 0.00 0.00 55.95 57.90 1kmm s SER 77 Cb -0.35 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1kmm s SER 77 CO 0.38 -0.16 -0.10 -0.76 1.20 0.00 0.00 173.24 173.80 1kmm s LEU 78 N 1.77 2.95 -0.05 3.45 1.02 0.17 -2.27 118.68 125.71 1kmm s LEU 78 Ca 0.18 -0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.23 1kmm s LEU 78 Cb -0.15 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.44 1kmm s LEU 78 CO 0.09 0.33 -0.12 -0.89 0.02 0.00 0.00 176.35 175.78 1kmm s THR 79 N -0.65 1.06 -0.13 5.49 2.01 0.14 -1.35 115.64 122.22 1kmm s THR 79 Ca 0.10 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1kmm s THR 79 Cb -0.11 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 1kmm s THR 79 CO 0.01 0.33 1.26 -0.76 -0.69 0.00 0.00 174.62 174.78 1kmm s LEU 80 N 0.47 4.21 0.13 4.42 1.02 -0.85 -1.52 118.68 126.57 1kmm s LEU 80 Ca -0.10 1.75 -0.35 0.00 0.02 0.00 0.00 54.13 55.45 1kmm s LEU 80 Cb -0.13 -3.54 -0.15 0.00 0.02 0.00 0.00 46.19 42.38 1kmm s LEU 80 CO 0.02 -0.72 1.45 -2.11 0.02 0.00 0.00 176.35 175.02 1kmm n ARG 81 N 6.21 1.68 0.02 1.70 1.85 -0.74 -4.28 116.66 123.10 1kmm n ARG 81 Ca 0.13 0.60 0.11 0.00 -1.00 0.00 0.00 57.85 57.70 1kmm n ARG 81 Cb 0.45 -2.30 -0.01 0.00 -1.05 0.00 0.00 32.46 29.55 1kmm n ARG 81 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1kmm n PRO 82 N 2.89 0.31 -3.78 2.89 -0.04 -1.25 0.18 135.00 136.20 1kmm n PRO 82 Ca 0.17 -0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 1kmm n PRO 82 Cb 0.25 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 1kmm n PRO 82 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1kmm s GLU 83 N -3.22 1.51 -0.03 0.54 4.04 -1.26 -4.60 118.70 115.68 1kmm s GLU 83 Ca 0.03 -0.92 0.21 0.00 0.04 0.00 0.00 54.97 54.33 1kmm s GLU 83 Cb 0.14 0.54 -0.32 0.00 0.02 0.00 0.00 34.13 34.52 1kmm s GLU 83 CO 0.82 -0.66 0.46 0.41 -1.84 0.00 0.00 175.26 174.46 1kmm n GLY 84 N -0.38 -0.95 0.31 -3.83 0.00 -1.26 -4.63 105.19 94.45 1kmm n GLY 84 Ca -0.08 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1kmm n GLY 84 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1kmm h THR 85 N 0.00 0.38 -0.49 2.61 2.02 -1.99 -2.13 112.91 113.32 1kmm h THR 85 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1kmm h THR 85 Cb 0.94 0.38 -0.10 0.00 -1.74 0.00 0.00 68.15 67.63 1kmm h THR 85 CO 0.00 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.67 1kmm h ALA 86 N 0.21 0.14 -0.32 6.16 0.00 -1.97 0.60 119.26 124.07 1kmm h ALA 86 Ca 0.03 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1kmm h ALA 86 Cb 0.53 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1kmm h ALA 86 CO -0.17 -0.56 0.09 0.78 0.00 0.00 0.00 179.25 179.39 1kmm h GLY 87 N -0.11 0.49 0.68 0.00 0.00 -1.82 0.19 103.07 102.50 1kmm h GLY 87 Ca 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1kmm h GLY 87 CO -0.56 0.23 -0.33 0.00 0.00 0.00 0.00 176.54 175.89 1kmm h VAL 89 N -1.06 0.66 0.20 0.00 2.07 -0.74 0.26 116.25 117.63 1kmm h VAL 89 Ca -0.09 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1kmm h VAL 89 Cb 0.70 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1kmm h VAL 89 CO 0.15 0.08 -0.09 -0.09 0.02 0.00 0.00 177.57 177.64 1kmm h ARG 90 N 0.43 -0.26 -0.11 1.57 2.43 -0.59 0.21 114.38 118.07 1kmm h ARG 90 Ca 0.50 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.64 1kmm h ARG 90 Cb 1.21 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1kmm h ARG 90 CO -0.21 0.04 -0.12 0.00 -1.51 0.00 0.00 179.97 178.17 1kmm h ALA 91 N 0.18 1.60 0.49 2.80 0.00 0.10 0.59 119.26 125.02 1kmm h ALA 91 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1kmm h ALA 91 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1kmm h ALA 91 CO 0.04 0.29 -0.24 0.78 0.00 0.00 0.00 179.25 180.13 1kmm h GLY 92 N 0.63 -0.69 1.58 0.00 0.00 -0.24 -1.34 103.07 103.02 1kmm h GLY 92 Ca 0.03 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1kmm h GLY 92 CO 0.02 -0.25 0.23 -2.22 0.00 0.00 0.00 176.54 174.32 1kmm h ILE 93 N -0.95 1.13 -0.28 2.60 2.04 -0.77 -1.47 117.51 119.81 1kmm h ILE 93 Ca -0.07 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 1kmm h ILE 93 Cb 0.60 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1kmm h ILE 93 CO 0.11 0.14 -0.31 -0.08 0.00 0.00 0.00 178.15 178.01 1kmm h GLU 94 N 0.56 0.59 -0.63 2.37 4.81 -0.68 -3.00 114.58 118.60 1kmm h GLU 94 Ca 0.15 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1kmm h GLU 94 Cb 0.01 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1kmm h GLU 94 CO -0.03 0.83 0.00 0.72 -0.73 0.00 0.00 179.01 179.81 1kmm n HIS 95 N -4.08 0.84 -3.41 0.92 8.25 -0.52 -4.98 115.22 112.24 1kmm n HIS 95 Ca -0.01 -0.46 -0.18 0.00 -0.26 0.00 0.00 57.72 56.81 1kmm n HIS 95 Cb 0.46 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.65 1kmm n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kmm n GLY 96 N 1.47 -0.36 0.58 -1.41 0.00 -0.63 -4.93 105.19 99.91 1kmm n GLY 96 Ca 0.22 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.46 1kmm n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kmm n LEU 97 N -4.21 2.20 -0.08 0.99 4.77 -0.75 -4.62 117.00 115.30 1kmm n LEU 97 Ca -0.18 -0.81 -0.09 0.00 -0.03 0.00 0.00 56.01 54.90 1kmm n LEU 97 Cb 0.63 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1kmm n LEU 97 CO 0.59 0.40 -1.01 0.18 -1.33 0.00 0.00 177.39 176.21 1kmm n LEU 98 N 0.25 1.08 -4.66 2.23 4.77 -1.26 -4.62 117.00 114.80 1kmm n LEU 98 Ca 0.10 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 1kmm n LEU 98 Cb 0.49 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1kmm n LEU 98 CO 0.25 0.52 1.62 0.00 -1.33 0.00 0.00 177.39 178.45 1kmm n TYR 99 N -2.71 2.45 -1.25 -1.77 9.36 -1.26 -2.18 117.16 119.80 1kmm n TYR 99 Ca -0.27 -0.32 -0.09 0.00 3.32 0.00 0.00 57.90 60.54 1kmm n TYR 99 Cb 0.92 -2.79 -0.04 0.00 -0.63 0.00 0.00 39.34 36.80 1kmm n TYR 99 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1kmm n ASN 100 N 7.82 -5.48 -4.53 2.98 5.03 -1.26 -4.95 115.26 114.86 1kmm n ASN 100 Ca 0.21 0.23 -0.25 0.00 0.87 0.00 0.00 54.58 55.64 1kmm n ASN 100 Cb 0.40 -3.97 -0.10 0.00 -1.02 0.00 0.00 39.78 35.09 1kmm n ASN 100 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1kmm s GLN 101 N -2.75 1.81 -0.00 3.52 -0.21 -0.93 -5.14 119.66 115.97 1kmm s GLN 101 Ca 0.00 -1.86 0.04 0.00 0.02 0.00 0.00 55.36 53.55 1kmm s GLN 101 Cb 0.00 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.22 1kmm s GLN 101 CO 0.00 0.20 -0.10 -2.00 -2.12 0.00 0.00 175.29 171.27 1kmm s GLU 102 N -3.59 2.48 -0.09 2.91 2.12 -1.26 -4.07 118.70 117.20 1kmm s GLU 102 Ca 0.32 -0.75 -0.07 0.00 0.36 0.00 0.00 54.97 54.83 1kmm s GLU 102 Cb -0.00 -2.44 0.03 0.00 0.26 0.00 0.00 34.13 31.98 1kmm s GLU 102 CO 0.16 0.60 0.23 -0.65 -0.54 0.00 0.00 175.26 175.06 1kmm s GLN 103 N -1.29 0.25 -0.37 4.30 -1.52 -0.86 -4.96 119.66 115.21 1kmm s GLN 103 Ca 0.16 0.35 0.00 0.00 -1.95 0.00 0.00 55.36 53.92 1kmm s GLN 103 Cb -0.11 0.08 0.12 0.00 -0.22 0.00 0.00 33.01 32.89 1kmm s GLN 103 CO 0.06 -0.05 0.19 1.03 -0.25 0.00 0.00 175.29 176.26 1kmm s ARG 104 N 0.32 0.80 0.43 2.91 0.52 -1.26 -0.85 118.95 121.82 1kmm s ARG 104 Ca -0.02 -1.42 0.07 0.00 -0.52 0.00 0.00 55.73 53.85 1kmm s ARG 104 Cb -0.03 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 1kmm s ARG 104 CO -0.01 -1.12 0.24 -0.51 0.02 0.00 0.00 175.30 173.92 1kmm s LEU 105 N 1.06 3.12 0.08 2.53 2.01 0.20 -1.56 118.68 126.12 1kmm s LEU 105 Ca 0.15 -1.03 -0.16 0.00 0.01 0.00 0.00 54.13 53.09 1kmm s LEU 105 Cb -0.22 -1.54 0.03 0.00 0.01 0.00 0.00 46.19 44.48 1kmm s LEU 105 CO -0.09 -0.63 0.38 -1.66 1.01 0.00 0.00 176.35 175.36 1kmm s TRP 106 N -2.59 -0.20 -0.05 0.29 1.48 -0.74 -1.69 118.94 115.44 1kmm s TRP 106 Ca 0.41 0.03 -0.19 0.00 -1.06 0.00 0.00 56.10 55.29 1kmm s TRP 106 Cb 0.02 0.20 0.04 0.00 -1.16 0.00 0.00 33.47 32.57 1kmm s TRP 106 CO 0.23 -0.61 0.42 1.52 -4.06 0.00 0.00 176.95 174.45 1kmm s TYR 107 N -3.04 -0.34 -0.04 1.66 -0.85 -0.78 -0.68 117.35 113.26 1kmm s TYR 107 Ca -0.02 0.62 0.01 0.00 -0.52 0.00 0.00 57.07 57.16 1kmm s TYR 107 Cb 0.00 0.18 0.02 0.00 0.38 0.00 0.00 41.96 42.55 1kmm s TYR 107 CO -0.06 -0.42 -0.04 -1.50 -1.52 0.00 0.00 175.55 172.01 1kmm s ILE 108 N -1.06 0.49 -0.82 -3.49 2.07 -1.26 -1.47 121.20 115.65 1kmm s ILE 108 Ca -0.11 -0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.04 1kmm s ILE 108 Cb -0.04 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 42.03 1kmm s ILE 108 CO 0.05 0.21 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 1kmm n GLY 109 N 4.05 -1.29 3.80 1.50 0.00 -0.76 -5.00 105.19 107.49 1kmm n GLY 109 Ca -0.25 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 1kmm n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kmm s PRO 110 N -0.72 4.37 0.04 1.61 0.02 -1.26 -1.23 135.00 137.82 1kmm s PRO 110 Ca 0.00 1.04 0.04 0.00 0.02 0.00 0.00 61.00 62.10 1kmm s PRO 110 Cb 0.00 -2.83 -0.02 0.00 0.02 0.00 0.00 34.50 31.67 1kmm s PRO 110 CO 0.00 0.34 -0.13 -1.64 -0.33 0.00 0.00 177.00 175.24 1kmm s MET 111 N -2.04 0.88 -0.09 5.54 -1.94 0.13 -4.92 119.30 116.87 1kmm s MET 111 Ca 0.46 -0.72 0.04 0.00 -1.71 0.00 0.00 55.69 53.76 1kmm s MET 111 Cb -0.17 -0.87 0.00 0.00 2.01 0.00 0.00 34.83 35.80 1kmm s MET 111 CO 0.22 0.21 -0.21 -0.06 -0.01 0.00 0.00 175.02 175.17 1kmm s PHE 112 N -0.84 2.29 -0.01 -0.03 0.40 0.13 -1.22 117.98 118.70 1kmm s PHE 112 Ca 0.01 -0.89 0.00 0.00 -0.60 0.00 0.00 56.93 55.45 1kmm s PHE 112 Cb -0.08 -1.55 0.02 0.00 0.51 0.00 0.00 43.02 41.92 1kmm s PHE 112 CO 0.01 -0.36 0.02 1.03 0.70 0.00 0.00 175.22 176.62 1kmm s ARG 113 N 0.34 -0.02 -1.02 0.44 0.52 0.07 -3.85 118.95 115.43 1kmm s ARG 113 Ca -0.16 0.10 -0.23 0.00 -0.52 0.00 0.00 55.73 54.92 1kmm s ARG 113 Cb -0.17 -0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.21 1kmm s ARG 113 CO 0.07 -0.09 1.46 -1.58 0.02 0.00 0.00 175.30 175.18 1kmm s HIS 114 N 0.59 2.52 0.21 -0.53 5.65 0.76 -4.17 115.29 120.33 1kmm s HIS 114 Ca -0.05 -0.83 0.03 0.00 0.25 0.00 0.00 55.06 54.46 1kmm s HIS 114 Cb -0.07 -4.69 -0.05 0.00 -1.18 0.00 0.00 32.58 26.59 1kmm s HIS 114 CO -0.02 -1.94 -0.00 -1.21 -0.65 0.00 0.00 174.74 170.93 1kmm s GLU 115 N 5.00 1.26 -0.05 2.88 2.02 -1.26 -4.62 118.70 123.93 1kmm s GLU 115 Ca 0.46 -1.63 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 1kmm s GLU 115 Cb -0.00 -0.50 -0.05 0.00 0.10 0.00 0.00 34.13 33.68 1kmm s GLU 115 CO -0.10 -0.11 1.45 0.50 0.02 0.00 0.00 175.26 177.03 1kmm s ARG 116 N -3.88 4.24 0.16 1.61 3.52 -1.26 -4.77 118.95 118.56 1kmm s ARG 116 Ca 0.27 1.98 -0.31 0.00 -0.13 0.00 0.00 55.73 57.53 1kmm s ARG 116 Cb 0.06 -3.74 -0.09 0.00 -1.56 0.00 0.00 34.95 29.61 1kmm s ARG 116 CO 0.07 -0.69 1.51 -2.14 -0.81 0.00 0.00 175.30 173.24 1kmm s PRO 117 N 3.13 4.25 0.32 5.12 0.02 -1.26 -4.85 135.00 141.73 1kmm s PRO 117 Ca 0.65 2.27 0.04 0.00 0.02 0.00 0.00 61.00 63.98 1kmm s PRO 117 Cb -0.30 -3.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.01 1kmm s PRO 117 CO 0.25 -0.54 0.18 -0.65 -0.33 0.00 0.00 177.00 175.90 1kmm s GLN 118 N 1.02 1.66 0.51 5.54 -1.52 -1.02 -5.00 119.66 120.86 1kmm s GLN 118 Ca 0.68 -1.96 0.21 0.00 -1.95 0.00 0.00 55.36 52.34 1kmm s GLN 118 Cb -0.42 -0.08 1.31 0.00 -0.22 0.00 0.00 33.01 33.60 1kmm s GLN 118 CO 0.32 -0.49 2.04 -0.22 -0.25 0.00 0.00 175.29 176.69 1kmm h LYS 119 N 2.15 0.06 -0.25 2.91 3.64 -1.98 -1.78 116.57 121.32 1kmm h LYS 119 Ca -0.32 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1kmm h LYS 119 Cb 1.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1kmm h LYS 119 CO 0.50 0.04 0.00 0.41 -2.27 0.00 0.00 179.45 178.13 1kmm n GLY 120 N -1.59 1.43 3.10 5.01 0.00 -1.26 -4.94 105.19 106.93 1kmm n GLY 120 Ca 0.06 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 1kmm n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kmm s ARG 121 N -1.10 1.89 0.31 1.61 0.52 -0.67 -4.58 118.95 116.93 1kmm s ARG 121 Ca 0.24 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 1kmm s ARG 121 Cb 0.14 -1.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.99 1kmm s ARG 121 CO 0.20 0.15 0.12 0.71 0.02 0.00 0.00 175.30 176.49 1kmm s TYR 122 N 0.32 1.67 -0.10 -0.53 2.02 -1.26 -2.43 117.35 117.04 1kmm s TYR 122 Ca -0.10 -1.23 0.22 0.00 -0.37 0.00 0.00 57.07 55.59 1kmm s TYR 122 Cb -0.14 -0.98 -0.23 0.00 -0.40 0.00 0.00 41.96 40.21 1kmm s TYR 122 CO 0.04 -0.34 0.63 0.54 -1.57 0.00 0.00 175.55 174.85 1kmm n ARG 123 N -0.61 0.64 -3.95 -0.62 1.74 0.73 -4.64 116.66 109.96 1kmm n ARG 123 Ca -0.01 -0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.69 1kmm n ARG 123 Cb 0.66 -1.62 -0.16 0.00 -1.02 0.00 0.00 32.46 30.32 1kmm n ARG 123 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1kmm s GLN 124 N -3.40 1.73 0.28 5.56 0.74 -1.20 -0.75 119.66 122.62 1kmm s GLN 124 Ca -0.06 -0.82 0.03 0.00 0.05 0.00 0.00 55.36 54.56 1kmm s GLN 124 Cb 0.12 -2.39 -0.06 0.00 1.10 0.00 0.00 33.01 31.79 1kmm s GLN 124 CO 0.87 -0.49 0.06 -0.59 -0.55 0.00 0.00 175.29 174.59 1kmm s PHE 125 N 1.45 1.73 -0.03 1.67 -0.71 -0.36 -4.64 117.98 117.10 1kmm s PHE 125 Ca -0.03 -1.04 0.06 0.00 -1.04 0.00 0.00 56.93 54.88 1kmm s PHE 125 Cb -0.17 -1.07 -0.01 0.00 -1.21 0.00 0.00 43.02 40.56 1kmm s PHE 125 CO -0.07 -0.14 -0.22 -1.01 -1.34 0.00 0.00 175.22 172.44 1kmm s HIS 126 N -3.50 2.00 0.18 3.49 3.76 -1.26 0.23 115.29 120.18 1kmm s HIS 126 Ca 0.36 -0.44 0.10 0.00 -0.15 0.00 0.00 55.06 54.93 1kmm s HIS 126 Cb 0.08 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.43 1kmm s HIS 126 CO 0.14 -0.08 -0.21 -0.65 -0.85 0.00 0.00 174.74 173.09 1kmm s GLN 127 N -0.39 1.37 -0.18 1.40 -0.21 -0.36 -1.37 119.66 119.92 1kmm s GLN 127 Ca 0.05 -1.45 0.01 0.00 0.02 0.00 0.00 55.36 53.99 1kmm s GLN 127 Cb -0.10 -1.54 0.03 0.00 1.00 0.00 0.00 33.01 32.41 1kmm s GLN 127 CO 0.00 0.32 -0.15 -1.17 -2.12 0.00 0.00 175.29 172.18 1kmm s LEU 128 N -2.67 2.19 0.21 2.90 1.98 -0.32 -1.82 118.68 121.15 1kmm s LEU 128 Ca 0.18 -0.75 0.05 0.00 -2.89 0.00 0.00 54.13 50.71 1kmm s LEU 128 Cb -0.07 -1.34 -0.05 0.00 0.66 0.00 0.00 46.19 45.40 1kmm s LEU 128 CO 0.08 -0.08 -0.05 -0.83 -1.89 0.00 0.00 176.35 173.58 1kmm s GLY 129 N 1.35 1.43 -0.01 7.98 0.00 -0.54 0.44 107.32 117.98 1kmm s GLY 129 Ca 0.02 -1.69 0.02 0.00 0.00 0.00 0.00 44.72 43.07 1kmm s GLY 129 CO -0.10 -1.67 -0.07 0.00 0.00 0.00 0.00 173.10 171.26 1kmm s GLU 131 N -0.13 -0.04 -0.11 0.00 0.41 -0.68 -1.45 118.70 116.71 1kmm s GLU 131 Ca 0.02 0.26 0.04 0.00 -0.41 0.00 0.00 54.97 54.87 1kmm s GLU 131 Cb -0.03 -0.30 0.00 0.00 -1.78 0.00 0.00 34.13 32.02 1kmm s GLU 131 CO -0.00 -0.21 -0.23 0.08 -0.49 0.00 0.00 175.26 174.41 1kmm s VAL 132 N 1.35 2.02 0.04 2.63 1.01 -0.56 -0.63 120.40 126.26 1kmm s VAL 132 Ca -0.06 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.00 1kmm s VAL 132 Cb -0.13 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1kmm s VAL 132 CO -0.03 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.08 1kmm s PHE 133 N 0.48 2.57 0.00 5.22 0.40 -0.03 -2.32 117.98 124.31 1kmm s PHE 133 Ca -0.16 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1kmm s PHE 133 Cb -0.17 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.89 1kmm s PHE 133 CO 0.06 0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.64 1kmm n GLY 134 N 1.55 0.68 3.09 4.36 0.00 -0.11 -2.02 105.19 112.74 1kmm n GLY 134 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1kmm n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kmm s LEU 135 N 0.00 1.87 -0.04 0.99 1.43 -1.26 -4.82 118.68 116.85 1kmm s LEU 135 Ca 0.00 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1kmm s LEU 135 Cb 0.00 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1kmm s LEU 135 CO 0.00 0.03 -0.06 0.00 0.23 0.00 0.00 176.35 176.55 1kmm n GLN 136 N 4.26 0.14 -0.72 1.70 6.02 -1.26 -4.48 117.38 123.04 1kmm n GLN 136 Ca -0.19 0.30 -0.24 0.00 -0.01 0.00 0.00 57.00 56.86 1kmm n GLN 136 Cb 0.51 -1.01 0.02 0.00 1.02 0.00 0.00 30.24 30.78 1kmm n GLN 136 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kmm n GLY 137 N 1.68 -2.78 0.00 1.08 0.00 -1.26 -4.80 105.19 99.11 1kmm n GLY 137 Ca -0.02 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.66 1kmm n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kmm n PRO 138 N 1.44 0.16 -0.21 1.61 -0.04 -1.26 -3.40 135.00 133.30 1kmm n PRO 138 Ca 0.01 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.60 1kmm n PRO 138 Cb 0.35 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.42 1kmm n PRO 138 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1kmm h ASP 139 N 0.00 0.96 0.34 3.54 2.03 -1.94 -1.66 116.42 119.70 1kmm h ASP 139 Ca 0.00 -0.19 -0.13 0.00 -0.73 0.00 0.00 57.03 55.98 1kmm h ASP 139 Cb 0.14 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.38 1kmm h ASP 139 CO 0.00 0.93 -0.53 -0.29 -1.03 0.00 0.00 179.24 178.31 1kmm h ILE 140 N 0.98 1.36 -0.74 4.15 6.09 -1.89 -1.89 117.51 125.57 1kmm h ILE 140 Ca 0.21 -1.82 -0.05 0.00 -1.37 0.00 0.00 64.86 61.83 1kmm h ILE 140 Cb 0.34 1.90 -0.03 0.00 0.47 0.00 0.00 36.82 39.50 1kmm h ILE 140 CO -0.00 0.54 0.26 0.44 -3.07 0.00 0.00 178.15 176.32 1kmm h ASP 141 N 0.16 1.03 -0.38 2.19 5.19 -1.66 -1.80 116.42 121.16 1kmm h ASP 141 Ca 0.00 -0.17 -0.14 0.00 -0.62 0.00 0.00 57.03 56.10 1kmm h ASP 141 Cb 1.00 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 1kmm h ASP 141 CO 0.08 0.93 -0.30 0.00 -3.12 0.00 0.00 179.24 176.83 1kmm h ALA 142 N 1.21 0.68 -0.31 3.45 0.00 -1.00 -2.50 119.26 120.80 1kmm h ALA 142 Ca 0.24 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1kmm h ALA 142 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1kmm h ALA 142 CO -0.02 0.67 0.18 1.49 0.00 0.00 0.00 179.25 181.57 1kmm h GLU 143 N 0.77 0.42 -0.62 0.00 4.81 -0.89 -0.20 114.58 118.87 1kmm h GLU 143 Ca 0.08 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1kmm h GLU 143 Cb 0.87 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 1kmm h GLU 143 CO 0.08 0.34 0.33 -0.07 -0.73 0.00 0.00 179.01 178.96 1kmm h LEU 144 N 0.39 0.47 -0.81 1.64 3.38 -1.29 0.19 115.31 119.28 1kmm h LEU 144 Ca 0.11 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1kmm h LEU 144 Cb 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1kmm h LEU 144 CO -0.02 0.31 0.08 0.40 0.09 0.00 0.00 178.44 179.29 1kmm h ILE 145 N 0.61 1.25 -0.39 1.22 5.03 -1.06 -2.40 117.51 121.77 1kmm h ILE 145 Ca 0.28 -1.00 -0.06 0.00 -0.12 0.00 0.00 64.86 63.96 1kmm h ILE 145 Cb 0.19 0.71 -0.02 0.00 -3.03 0.00 0.00 36.82 34.68 1kmm h ILE 145 CO -0.19 0.37 -0.01 0.24 -0.68 0.00 0.00 178.15 177.88 1kmm h MET 146 N 0.91 0.63 0.43 2.37 2.86 0.10 -2.06 114.93 120.17 1kmm h MET 146 Ca 0.18 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1kmm h MET 146 Cb 0.43 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1kmm h MET 146 CO 0.01 0.66 -0.21 1.25 1.06 0.00 0.00 176.91 179.68 1kmm h LEU 147 N 0.59 -0.49 -1.27 1.22 6.46 -0.23 -1.89 115.31 119.70 1kmm h LEU 147 Ca 0.12 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1kmm h LEU 147 Cb 0.39 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 1kmm h LEU 147 CO 0.02 -0.33 0.40 0.71 -0.62 0.00 0.00 178.44 178.62 1kmm h THR 148 N -0.61 1.19 -0.49 1.05 1.35 -1.29 -1.77 112.91 112.35 1kmm h THR 148 Ca -0.06 -0.41 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 1kmm h THR 148 Cb 0.46 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.11 1kmm h THR 148 CO 0.10 0.20 0.20 0.00 -0.25 0.00 0.00 175.52 175.77 1kmm h ALA 149 N 1.53 1.45 -0.29 6.62 0.00 -1.12 -0.67 119.26 126.78 1kmm h ALA 149 Ca 0.24 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1kmm h ALA 149 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1kmm h ALA 149 CO -0.05 0.43 -0.25 -0.09 0.00 0.00 0.00 179.25 179.29 1kmm h ARG 150 N 0.69 0.55 -0.21 0.00 2.43 -0.51 -1.78 114.38 115.56 1kmm h ARG 150 Ca 0.17 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1kmm h ARG 150 Cb 0.12 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1kmm h ARG 150 CO -0.02 0.76 0.13 -1.49 -1.51 0.00 0.00 179.97 177.84 1kmm h TRP 151 N 0.49 0.27 -0.78 2.20 6.55 -0.76 0.32 115.95 124.24 1kmm h TRP 151 Ca 0.07 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.93 1kmm h TRP 151 Cb 0.69 -0.09 -0.04 0.00 -0.86 0.00 0.00 29.16 28.86 1kmm h TRP 151 CO 0.03 0.20 0.51 -1.49 -1.05 0.00 0.00 178.44 176.64 1kmm h TRP 152 N 0.26 0.96 -0.24 0.49 -0.00 -0.86 0.40 115.95 116.96 1kmm h TRP 152 Ca 0.07 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.95 1kmm h TRP 152 Cb 0.01 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 28.84 1kmm h TRP 152 CO -0.05 0.59 0.00 0.00 -0.00 0.00 0.00 178.44 178.98 1kmm h ARG 153 N 1.02 0.42 -0.74 0.49 3.08 -0.89 -0.06 114.38 117.70 1kmm h ARG 153 Ca 0.29 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 60.30 1kmm h ARG 153 Cb -0.08 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 29.86 1kmm h ARG 153 CO -0.08 0.59 0.39 0.00 -1.07 0.00 0.00 179.97 179.80 1kmm h ALA 154 N 0.81 1.03 -0.00 0.04 0.00 0.27 -1.89 119.26 119.51 1kmm h ALA 154 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1kmm h ALA 154 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1kmm h ALA 154 CO 0.01 0.00 -0.27 1.28 0.00 0.00 0.00 179.25 180.27 1kmm n LEU 155 N -4.82 0.65 -2.00 0.00 4.77 0.07 -4.98 117.00 110.69 1kmm n LEU 155 Ca 0.12 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1kmm n LEU 155 Cb 0.27 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1kmm n LEU 155 CO 0.26 0.13 0.10 0.61 -1.33 0.00 0.00 177.39 177.16 1kmm n GLY 156 N 1.38 0.21 0.12 -0.72 0.00 -0.16 -4.94 105.19 101.09 1kmm n GLY 156 Ca 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1kmm n GLY 156 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1kmm n ILE 157 N -3.42 0.36 -0.21 -0.61 -5.35 -0.49 -4.80 119.36 104.83 1kmm n ILE 157 Ca -0.03 -0.39 0.10 0.00 -0.27 0.00 0.00 62.75 62.16 1kmm n ILE 157 Cb 0.54 0.68 0.39 0.00 -1.74 0.00 0.00 39.64 39.51 1kmm n ILE 157 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1kmm h SER 158 N 0.00 0.61 -0.01 7.28 4.64 -1.88 -0.42 113.55 123.76 1kmm h SER 158 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1kmm h SER 158 Cb 1.00 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1kmm h SER 158 CO 0.00 0.35 0.01 -0.33 -0.87 0.00 0.00 176.83 175.99 1kmm h GLU 159 N 0.67 0.00 -0.61 4.77 4.39 -1.91 -3.02 114.58 118.87 1kmm h GLU 159 Ca 0.37 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.74 1kmm h GLU 159 Cb 0.54 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.99 1kmm h GLU 159 CO -0.14 0.00 0.17 0.72 -1.16 0.00 0.00 179.01 178.60 1kmm n HIS 160 N -4.19 1.90 -3.81 4.33 8.25 -0.17 -4.94 115.22 116.59 1kmm n HIS 160 Ca -0.03 -1.80 -0.13 0.00 -0.26 0.00 0.00 57.72 55.50 1kmm n HIS 160 Cb 0.10 -0.69 -0.14 0.00 1.12 0.00 0.00 29.99 30.39 1kmm n HIS 160 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1kmm s VAL 161 N -3.42 -0.02 0.16 1.59 -7.23 -1.14 -4.41 120.40 105.92 1kmm s VAL 161 Ca 0.50 0.06 0.11 0.00 -1.81 0.00 0.00 61.98 60.84 1kmm s VAL 161 Cb 0.44 -0.14 -0.04 0.00 0.56 0.00 0.00 36.38 37.19 1kmm s VAL 161 CO 0.03 0.03 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.74 1kmm s THR 162 N 0.40 2.52 -0.12 5.32 2.01 0.21 -4.92 115.64 121.05 1kmm s THR 162 Ca -0.03 -1.80 -0.01 0.00 0.31 0.00 0.00 61.69 60.16 1kmm s THR 162 Cb -0.04 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1kmm s THR 162 CO -0.02 -0.01 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.61 1kmm s LEU 163 N -2.40 3.07 -0.05 4.42 2.96 -1.26 -0.74 118.68 124.68 1kmm s LEU 163 Ca 0.19 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 1kmm s LEU 163 Cb -0.09 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1kmm s LEU 163 CO 0.09 0.23 -0.24 -1.61 -1.32 0.00 0.00 176.35 173.51 1kmm s GLU 164 N -0.04 2.39 0.36 1.98 2.02 0.06 -1.55 118.70 123.93 1kmm s GLU 164 Ca -0.00 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.16 1kmm s GLU 164 Cb -0.13 -2.06 -0.05 0.00 0.10 0.00 0.00 34.13 31.99 1kmm s GLU 164 CO 0.03 0.38 0.08 -0.51 0.02 0.00 0.00 175.26 175.26 1kmm s LEU 165 N -0.17 2.10 -0.29 1.80 1.02 -0.32 -1.61 118.68 121.20 1kmm s LEU 165 Ca -0.02 -1.48 -0.30 0.00 0.02 0.00 0.00 54.13 52.34 1kmm s LEU 165 Cb -0.13 -0.29 0.19 0.00 0.02 0.00 0.00 46.19 45.98 1kmm s LEU 165 CO 0.03 -0.73 1.38 0.21 0.02 0.00 0.00 176.35 177.27 1kmm s ASN 166 N -3.53 -0.01 -0.14 2.29 2.47 -0.36 0.04 114.94 115.69 1kmm s ASN 166 Ca 0.31 0.01 -0.02 0.00 0.42 0.00 0.00 52.86 53.59 1kmm s ASN 166 Cb 0.06 0.01 -0.02 0.00 -1.45 0.00 0.00 41.25 39.85 1kmm s ASN 166 CO 0.15 -0.01 -0.08 -0.55 -3.72 0.00 0.00 177.10 172.88 1kmm s SER 167 N -1.15 4.45 0.00 -4.21 0.15 -1.26 -0.98 113.70 110.71 1kmm s SER 167 Ca 0.10 -0.20 0.22 0.00 0.70 0.00 0.00 55.95 56.77 1kmm s SER 167 Cb -0.01 -1.66 0.44 0.00 -1.71 0.00 0.00 66.02 63.08 1kmm s SER 167 CO -0.08 0.18 1.40 -0.38 1.20 0.00 0.00 173.24 175.57 1kmm n ILE 168 N 3.43 0.58 -2.59 6.45 -0.00 0.18 -4.84 119.36 122.57 1kmm n ILE 168 Ca -0.18 -0.79 0.00 0.00 -0.00 0.00 0.00 62.75 61.78 1kmm n ILE 168 Cb 0.53 0.91 0.00 0.00 -0.00 0.00 0.00 39.64 41.07 1kmm n ILE 168 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1kmm n GLY 169 N 1.47 0.81 3.94 7.39 0.00 -1.24 -4.71 105.19 112.85 1kmm n GLY 169 Ca 0.20 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 1kmm n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kmm s SER 170 N -4.00 5.97 0.09 1.61 1.04 -1.26 -3.42 113.70 113.73 1kmm s SER 170 Ca 0.00 0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.57 1kmm s SER 170 Cb 0.00 -1.75 -0.12 0.00 0.10 0.00 0.00 66.02 64.25 1kmm s SER 170 CO 0.00 -0.63 1.48 0.25 0.98 0.00 0.00 173.24 175.32 1kmm h LEU 171 N 0.41 -1.43 -0.64 2.42 6.46 -1.95 -1.21 115.31 119.37 1kmm h LEU 171 Ca -0.47 0.16 0.12 0.00 -0.12 0.00 0.00 57.88 57.57 1kmm h LEU 171 Cb 1.24 0.54 -0.09 0.00 -0.73 0.00 0.00 40.66 41.62 1kmm h LEU 171 CO 0.59 -0.46 0.15 -0.33 -0.62 0.00 0.00 178.44 177.77 1kmm h GLU 172 N -0.59 0.27 -0.78 1.25 3.07 -1.96 0.43 114.58 116.27 1kmm h GLU 172 Ca 0.01 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.94 1kmm h GLU 172 Cb 0.63 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.41 1kmm h GLU 172 CO -0.30 0.18 0.43 0.00 -1.40 0.00 0.00 179.01 177.91 1kmm h ALA 173 N 1.51 1.09 -0.48 3.43 0.00 -1.69 0.10 119.26 123.22 1kmm h ALA 173 Ca 0.34 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1kmm h ALA 173 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1kmm h ALA 173 CO -0.43 0.05 0.14 0.00 0.00 0.00 0.00 179.25 179.02 1kmm h ARG 174 N 0.73 0.74 0.00 0.00 3.08 0.80 -0.48 114.38 119.24 1kmm h ARG 174 Ca 0.37 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1kmm h ARG 174 Cb 0.34 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1kmm h ARG 174 CO -0.25 0.71 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 1kmm n ALA 175 N -2.36 1.47 -0.06 0.04 0.00 0.11 -0.61 120.51 119.10 1kmm n ALA 175 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1kmm n ALA 175 Cb 0.20 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1kmm n ALA 175 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kmm n ASN 176 N -0.96 2.88 -0.11 0.00 3.02 -0.26 -4.32 115.26 115.51 1kmm n ASN 176 Ca 0.00 -0.06 -0.01 0.00 -0.03 0.00 0.00 54.58 54.48 1kmm n ASN 176 Cb 0.00 -0.21 0.24 0.00 -0.61 0.00 0.00 39.78 39.19 1kmm n ASN 176 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1kmm h TYR 177 N -0.03 0.78 0.01 3.10 3.20 -0.07 -2.97 116.97 120.98 1kmm h TYR 177 Ca -0.29 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1kmm h TYR 177 Cb 1.44 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 1kmm h TYR 177 CO 0.01 0.63 -0.02 0.00 -1.64 0.00 0.00 178.16 177.15 1kmm h ARG 178 N 0.75 -0.03 -0.86 1.82 -0.00 -1.09 0.61 114.38 115.58 1kmm h ARG 178 Ca 0.17 0.00 0.12 0.00 -0.50 0.00 0.00 59.98 59.78 1kmm h ARG 178 Cb 0.22 0.01 -0.13 0.00 0.00 0.00 0.00 29.97 30.06 1kmm h ARG 178 CO -0.01 -0.02 -0.37 -0.25 0.00 0.00 0.00 179.97 179.32 1kmm n ASP 179 N -2.50 -0.63 -0.12 7.04 8.00 -1.16 0.80 116.55 127.98 1kmm n ASP 179 Ca -0.00 1.50 -0.09 0.00 0.71 0.00 0.00 54.79 56.91 1kmm n ASP 179 Cb 0.02 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 40.80 1kmm n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kmm h ALA 180 N 1.03 0.48 -0.46 2.24 0.00 -1.33 -0.78 119.26 120.44 1kmm h ALA 180 Ca 0.27 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1kmm h ALA 180 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1kmm h ALA 180 CO -0.84 -0.02 -0.15 1.25 0.00 0.00 0.00 179.25 179.48 1kmm h LEU 181 N 0.49 0.88 0.26 0.00 5.85 0.62 -2.09 115.31 121.31 1kmm h LEU 181 Ca 0.13 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1kmm h LEU 181 Cb 0.01 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1kmm h LEU 181 CO -0.02 1.03 -0.12 0.58 -0.34 0.00 0.00 178.44 179.56 1kmm h VAL 182 N 0.77 0.80 -1.08 1.05 2.07 0.36 -2.31 116.25 117.91 1kmm h VAL 182 Ca 0.12 -0.43 0.29 0.00 0.82 0.00 0.00 66.70 67.50 1kmm h VAL 182 Cb 0.68 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 1kmm h VAL 182 CO 0.05 0.09 0.72 0.00 0.02 0.00 0.00 177.57 178.45 1kmm h ALA 183 N 0.11 2.50 0.00 1.67 0.00 -1.05 0.42 119.26 122.90 1kmm h ALA 183 Ca -0.04 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1kmm h ALA 183 Cb 0.42 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1kmm h ALA 183 CO 0.06 -0.89 -0.83 0.35 0.00 0.00 0.00 179.25 177.95 1kmm h PHE 184 N 0.27 0.08 -0.00 0.00 3.57 -1.10 -3.24 116.94 116.52 1kmm h PHE 184 Ca 0.59 -0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.86 1kmm h PHE 184 Cb 1.74 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 1kmm h PHE 184 CO -0.00 0.85 -0.83 -0.07 -2.23 0.00 0.00 178.31 176.03 1kmm h LEU 185 N 0.03 0.19 -1.43 0.59 3.38 0.36 -3.11 115.31 115.32 1kmm h LEU 185 Ca -0.02 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1kmm h LEU 185 Cb 1.45 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1kmm h LEU 185 CO 0.11 0.94 -0.27 -0.33 0.09 0.00 0.00 178.44 178.98 1kmm h GLU 186 N 0.09 0.03 -0.08 1.13 5.08 -1.41 0.18 114.58 119.60 1kmm h GLU 186 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1kmm h GLU 186 Cb 1.44 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1kmm h GLU 186 CO 0.12 0.29 0.00 1.04 -1.00 0.00 0.00 179.01 179.46 1kmm n GLN 187 N -4.21 1.16 0.00 2.33 6.02 -1.18 -5.13 117.38 116.36 1kmm n GLN 187 Ca -0.02 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1kmm n GLN 187 Cb 0.32 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.52 1kmm n GLN 187 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1kmm n HIS 188 N -0.30 0.00 0.00 1.08 8.25 0.64 -5.09 115.22 119.80 1kmm n HIS 188 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1kmm n HIS 188 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1kmm n HIS 188 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1kmm n PRO 223 N 0.00 0.00 -2.90 -0.41 -0.04 -1.26 -5.02 135.00 125.37 1kmm n PRO 223 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1kmm n PRO 223 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1kmm n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kmm s ALA 224 N 0.00 3.42 -0.15 0.55 0.00 -1.26 -5.03 121.76 119.30 1kmm s ALA 224 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 1kmm s ALA 224 Cb 0.00 -2.59 -0.24 0.00 0.00 0.00 0.00 23.12 20.29 1kmm s ALA 224 CO 0.00 -0.05 0.50 1.25 0.00 0.00 0.00 175.76 177.47 1kmm h LEU 225 N 1.07 0.17 -0.97 0.00 6.46 -1.98 -3.36 115.31 116.69 1kmm h LEU 225 Ca -0.47 -0.78 0.32 0.00 -0.12 0.00 0.00 57.88 56.83 1kmm h LEU 225 Cb 1.19 -0.05 -0.16 0.00 -0.73 0.00 0.00 40.66 40.91 1kmm h LEU 225 CO 0.64 1.42 0.39 1.23 -0.62 0.00 0.00 178.44 181.50 1kmm h GLY 226 N -0.55 1.83 1.29 3.75 0.00 -1.89 0.43 103.07 107.93 1kmm h GLY 226 Ca -0.24 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1kmm h GLY 226 CO -0.04 -0.56 0.02 1.22 0.00 0.00 0.00 176.54 177.18 1kmm n ASP 227 N -5.22 0.00 0.00 0.19 8.00 -1.26 -0.56 116.55 117.70 1kmm n ASP 227 Ca 0.30 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1kmm n ASP 227 Cb 0.96 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 1kmm n ASP 227 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1kmm n TYR 228 N -1.16 0.00 -1.93 1.24 4.02 0.15 -5.03 117.16 114.45 1kmm n TYR 228 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1kmm n TYR 228 Cb 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 1kmm n TYR 228 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1kmm s LEU 229 N -0.20 4.35 0.69 7.72 1.43 0.28 -4.75 118.68 128.20 1kmm s LEU 229 Ca 0.00 2.38 -0.16 0.00 -1.03 0.00 0.00 54.13 55.32 1kmm s LEU 229 Cb 0.00 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1kmm s LEU 229 CO 0.00 -0.93 0.79 -0.90 0.23 0.00 0.00 176.35 175.54 1kmm n ASP 230 N 6.76 -0.14 -0.24 2.29 5.75 -1.26 -4.68 116.55 125.02 1kmm n ASP 230 Ca 0.17 0.67 0.03 0.00 -0.01 0.00 0.00 54.79 55.65 1kmm n ASP 230 Cb 0.42 -1.33 0.16 0.00 -1.03 0.00 0.00 41.12 39.34 1kmm n ASP 230 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1kmm h GLU 231 N -0.16 0.47 -0.84 0.11 4.57 -1.99 -1.01 114.58 115.73 1kmm h GLU 231 Ca -0.47 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 57.75 1kmm h GLU 231 Cb 1.35 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.77 1kmm h GLU 231 CO 0.46 0.31 0.51 1.49 -1.18 0.00 0.00 179.01 180.60 1kmm h GLU 232 N 0.48 0.90 -0.00 1.92 4.57 -2.01 -0.94 114.58 119.50 1kmm h GLU 232 Ca 0.38 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.39 1kmm h GLU 232 Cb 0.51 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1kmm h GLU 232 CO -0.35 0.59 -0.55 0.77 -1.18 0.00 0.00 179.01 178.30 1kmm h SER 233 N 0.92 0.01 -0.29 1.04 0.02 -1.56 -2.83 113.55 110.86 1kmm h SER 233 Ca 0.38 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.17 1kmm h SER 233 Cb 0.21 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1kmm h SER 233 CO -0.19 0.56 -0.41 0.03 -1.14 0.00 0.00 176.83 175.68 1kmm h ARG 234 N 0.01 0.79 -0.24 3.45 3.08 -0.11 -1.65 114.38 119.71 1kmm h ARG 234 Ca -0.01 -0.46 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 1kmm h ARG 234 Cb 0.97 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1kmm h ARG 234 CO 0.07 1.09 0.14 0.93 -1.07 0.00 0.00 179.97 181.14 1kmm h GLU 235 N 0.56 0.33 -0.43 0.04 5.08 -1.24 -0.51 114.58 118.41 1kmm h GLU 235 Ca 0.03 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1kmm h GLU 235 Cb 1.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1kmm h GLU 235 CO 0.10 0.28 0.25 1.25 -1.00 0.00 0.00 179.01 179.88 1kmm h HIS 236 N 0.30 0.46 -0.39 4.33 2.76 -1.51 0.34 115.15 121.44 1kmm h HIS 236 Ca 0.09 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.16 1kmm h HIS 236 Cb 0.03 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1kmm h HIS 236 CO -0.04 0.26 -0.20 0.35 -1.30 0.00 0.00 177.93 177.00 1kmm h PHE 237 N 0.50 0.85 -0.41 5.26 3.57 -1.07 -1.59 116.94 124.05 1kmm h PHE 237 Ca 0.17 -0.19 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 1kmm h PHE 237 Cb 0.02 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1kmm h PHE 237 CO -0.08 0.89 -0.32 0.00 -2.23 0.00 0.00 178.31 176.57 1kmm h ALA 238 N 1.11 0.59 -0.30 2.41 0.00 -0.85 -1.02 119.26 121.21 1kmm h ALA 238 Ca 0.10 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1kmm h ALA 238 Cb 0.70 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1kmm h ALA 238 CO 0.05 0.66 0.13 0.78 0.00 0.00 0.00 179.25 180.87 1kmm h GLY 239 N 0.78 0.38 0.58 0.00 0.00 -0.78 0.16 103.07 104.19 1kmm h GLY 239 Ca 0.08 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1kmm h GLY 239 CO 0.09 0.06 -0.09 -2.00 0.00 0.00 0.00 176.54 174.60 1kmm h LEU 240 N 0.27 -0.29 -0.98 3.11 6.46 -1.14 -0.36 115.31 122.38 1kmm h LEU 240 Ca 0.13 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1kmm h LEU 240 Cb 0.07 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 1kmm h LEU 240 CO -0.11 -0.12 0.65 0.00 -0.62 0.00 0.00 178.44 178.24 1kmm h LYS 242 N 1.30 0.39 -0.73 0.00 2.10 -0.12 -1.99 116.57 117.51 1kmm h LYS 242 Ca 0.37 -0.21 -0.04 0.00 -2.00 0.00 0.00 60.65 58.77 1kmm h LYS 242 Cb -0.09 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.21 1kmm h LYS 242 CO -0.10 0.77 0.29 -0.07 -2.00 0.00 0.00 179.45 178.34 1kmm h LEU 243 N 0.32 1.01 -0.22 7.07 3.38 -0.17 -2.46 115.31 124.23 1kmm h LEU 243 Ca 0.02 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1kmm h LEU 243 Cb 0.92 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1kmm h LEU 243 CO 0.08 0.90 -0.19 -0.07 0.09 0.00 0.00 178.44 179.25 1kmm h LEU 244 N 1.05 0.56 -1.15 1.67 4.07 -1.24 -2.25 115.31 118.02 1kmm h LEU 244 Ca 0.24 -0.46 0.07 0.00 0.08 0.00 0.00 57.88 57.81 1kmm h LEU 244 Cb 0.21 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 41.73 1kmm h LEU 244 CO -0.02 0.90 0.59 -0.33 -1.08 0.00 0.00 178.44 178.50 1kmm h GLU 245 N 0.22 0.99 -0.22 1.13 5.08 -1.27 -1.33 114.58 119.18 1kmm h GLU 245 Ca 0.04 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1kmm h GLU 245 Cb 0.73 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1kmm h GLU 245 CO 0.05 0.65 -0.55 0.77 -1.00 0.00 0.00 179.01 178.94 1kmm h SER 246 N 1.02 0.72 0.68 1.42 0.02 -1.40 -2.50 113.55 113.52 1kmm h SER 246 Ca 0.39 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1kmm h SER 246 Cb 0.22 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1kmm h SER 246 CO -0.15 1.12 0.00 0.00 -1.14 0.00 0.00 176.83 176.66 1kmm n ALA 247 N -2.53 1.73 -0.80 3.77 0.00 -0.71 -4.85 120.51 117.11 1kmm n ALA 247 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1kmm n ALA 247 Cb 0.61 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1kmm n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kmm n GLY 248 N 0.14 0.59 3.67 0.00 0.00 -0.74 -5.02 105.19 103.83 1kmm n GLY 248 Ca 0.03 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1kmm n GLY 248 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kmm s ILE 249 N -2.00 4.73 -0.01 -0.61 1.01 -0.58 -5.01 121.20 118.72 1kmm s ILE 249 Ca 0.00 1.97 -0.22 0.00 0.00 0.00 0.00 60.65 62.40 1kmm s ILE 249 Cb 0.00 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1kmm s ILE 249 CO 0.00 -0.11 0.64 0.00 0.00 0.00 0.00 174.94 175.47 1kmm s ALA 250 N 2.82 3.43 0.35 9.38 0.00 -1.26 -4.22 121.76 132.26 1kmm s ALA 250 Ca 0.44 0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.55 1kmm s ALA 250 Cb -0.16 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1kmm s ALA 250 CO 0.09 0.08 0.23 2.48 0.00 0.00 0.00 175.76 178.64 1kmm n TYR 251 N 3.02 -0.44 -3.63 0.00 4.11 -1.26 -4.36 117.16 114.60 1kmm n TYR 251 Ca -0.05 -2.69 -0.16 0.00 -0.00 0.00 0.00 57.90 55.00 1kmm n TYR 251 Cb 0.51 0.18 -0.14 0.00 -0.00 0.00 0.00 39.34 39.88 1kmm n TYR 251 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1kmm s THR 252 N -3.23 -0.32 0.13 -3.48 2.01 -0.59 -4.98 115.64 105.19 1kmm s THR 252 Ca 0.32 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 1kmm s THR 252 Cb 0.02 -0.42 -0.07 0.00 0.01 0.00 0.00 72.50 72.04 1kmm s THR 252 CO 0.23 0.07 1.09 -0.69 -0.69 0.00 0.00 174.62 174.63 1kmm s VAL 253 N 2.34 4.05 -0.32 3.82 1.01 -1.26 -1.18 120.40 128.86 1kmm s VAL 253 Ca 0.03 1.67 0.01 0.00 0.00 0.00 0.00 61.98 63.69 1kmm s VAL 253 Cb -0.13 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 32.28 1kmm s VAL 253 CO -0.08 0.24 0.08 0.21 0.00 0.00 0.00 175.10 175.56 1kmm s ASN 254 N 0.21 4.26 0.64 3.32 3.84 0.11 -4.87 114.94 122.44 1kmm s ASN 254 Ca 0.51 -1.80 0.39 0.00 0.21 0.00 0.00 52.86 52.17 1kmm s ASN 254 Cb -0.28 -1.10 2.16 0.00 -0.55 0.00 0.00 41.25 41.48 1kmm s ASN 254 CO 0.33 -0.40 2.28 -0.61 -2.79 0.00 0.00 177.10 175.90 1kmm h GLN 255 N 7.94 0.00 -0.28 0.43 5.75 -1.95 -1.55 115.11 125.45 1kmm h GLN 255 Ca -0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1kmm h GLN 255 Cb 1.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.57 1kmm h GLN 255 CO 0.49 0.00 0.00 0.54 -2.65 0.00 0.00 178.83 177.21 1kmm n ARG 256 N -3.30 2.28 -2.53 1.69 3.00 -1.26 -4.60 116.66 111.95 1kmm n ARG 256 Ca -0.02 -2.09 -0.43 0.00 -0.01 0.00 0.00 57.85 55.30 1kmm n ARG 256 Cb 0.13 -1.45 -0.02 0.00 0.00 0.00 0.00 32.46 31.11 1kmm n ARG 256 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1kmm s LEU 257 N -1.47 3.69 0.03 0.55 0.20 -0.58 -4.97 118.68 116.12 1kmm s LEU 257 Ca 0.33 0.70 0.01 0.00 0.69 0.00 0.00 54.13 55.86 1kmm s LEU 257 Cb 0.20 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.39 1kmm s LEU 257 CO 0.28 -1.23 -0.05 -0.69 -0.29 0.00 0.00 176.35 174.38 1kmm s VAL 258 N 4.56 0.26 0.38 1.68 1.01 -1.26 -4.85 120.40 122.18 1kmm s VAL 258 Ca 0.51 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1kmm s VAL 258 Cb -0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1kmm s VAL 258 CO 0.29 -0.48 0.56 -0.13 0.00 0.00 0.00 175.10 175.34 1kmm s ARG 259 N -1.61 3.13 0.60 2.72 0.52 -1.26 -5.00 118.95 118.04 1kmm s ARG 259 Ca -0.13 -0.72 0.38 0.00 -0.52 0.00 0.00 55.73 54.74 1kmm s ARG 259 Cb -0.09 -2.69 1.81 0.00 0.52 0.00 0.00 34.95 34.49 1kmm s ARG 259 CO -0.01 -0.07 2.14 0.78 0.02 0.00 0.00 175.30 178.16 1kmm h GLY 260 N 0.67 0.00 -3.19 -3.53 0.00 -2.01 -3.44 103.07 91.56 1kmm h GLY 260 Ca -0.46 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.38 1kmm h GLY 260 CO 0.56 0.00 -0.35 1.08 0.00 0.00 0.00 176.54 177.82 1kmm s LEU 261 N -6.14 4.22 0.00 3.11 1.43 -1.26 -4.72 118.68 115.32 1kmm s LEU 261 Ca -0.01 0.23 0.24 0.00 -1.03 0.00 0.00 54.13 53.55 1kmm s LEU 261 Cb 0.11 -3.03 0.45 0.00 0.03 0.00 0.00 46.19 43.74 1kmm s LEU 261 CO 0.48 -0.12 1.41 0.47 0.23 0.00 0.00 176.35 178.82 1kmm n ASP 262 N -1.34 2.92 -0.44 2.29 9.92 -0.28 -4.46 116.55 125.16 1kmm n ASP 262 Ca -0.07 -1.92 0.14 0.00 -0.53 0.00 0.00 54.79 52.41 1kmm n ASP 262 Cb 0.56 -0.13 0.54 0.00 -0.64 0.00 0.00 41.12 41.45 1kmm n ASP 262 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1kmm n TYR 263 N 1.19 0.02 -2.32 1.24 0.18 -1.26 -4.96 117.16 111.25 1kmm n TYR 263 Ca 0.17 -0.01 -0.41 0.00 1.88 0.00 0.00 57.90 59.53 1kmm n TYR 263 Cb 0.55 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.47 1kmm n TYR 263 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1kmm s TYR 264 N -1.98 3.36 0.00 -3.48 2.02 -1.26 -4.48 117.35 111.54 1kmm s TYR 264 Ca 0.38 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.51 1kmm s TYR 264 Cb 0.21 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.28 1kmm s TYR 264 CO 0.33 -1.33 0.00 -1.71 -1.57 0.00 0.00 175.55 171.27 1kmm n ASN 265 N 1.98 0.00 0.00 2.29 2.85 0.28 -4.92 115.26 117.73 1kmm n ASN 265 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1kmm n ASN 265 Cb 0.44 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.46 1kmm n ASN 265 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1kmm n ARG 266 N 0.00 0.00 -1.99 1.20 1.74 -1.22 -3.69 116.66 112.70 1kmm n ARG 266 Ca 0.00 0.44 -0.42 0.00 -0.77 0.00 0.00 57.85 57.10 1kmm n ARG 266 Cb 0.00 -0.94 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1kmm n ARG 266 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1kmm s THR 267 N -0.99 3.20 -0.02 0.55 2.01 -1.26 0.51 115.64 119.64 1kmm s THR 267 Ca 0.00 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.63 1kmm s THR 267 Cb 0.00 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 69.12 1kmm s THR 267 CO 0.00 -0.00 -0.03 0.68 -0.69 0.00 0.00 174.62 174.58 1kmm s VAL 268 N 2.66 0.32 0.13 3.82 -7.23 -0.15 -0.05 120.40 119.90 1kmm s VAL 268 Ca 0.72 -0.07 -0.13 0.00 -1.81 0.00 0.00 61.98 60.68 1kmm s VAL 268 Cb -0.38 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.24 1kmm s VAL 268 CO 0.31 0.14 0.33 0.72 -0.31 0.00 0.00 175.10 176.30 1kmm s PHE 269 N 0.52 -0.01 -0.07 2.82 -0.71 -0.74 -1.23 117.98 118.57 1kmm s PHE 269 Ca -0.06 -0.35 -0.14 0.00 -1.04 0.00 0.00 56.93 55.34 1kmm s PHE 269 Cb -0.09 0.14 0.03 0.00 -1.21 0.00 0.00 43.02 41.89 1kmm s PHE 269 CO -0.01 -0.68 0.35 -1.21 -1.34 0.00 0.00 175.22 172.33 1kmm s GLU 270 N -3.85 0.57 -0.24 1.99 2.02 -0.63 -1.48 118.70 117.08 1kmm s GLU 270 Ca 0.06 0.14 -0.05 0.00 0.02 0.00 0.00 54.97 55.14 1kmm s GLU 270 Cb 0.03 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.51 1kmm s GLU 270 CO -0.09 -0.13 0.01 -1.58 0.02 0.00 0.00 175.26 173.49 1kmm s TRP 271 N -0.63 3.03 0.22 1.61 0.52 0.19 -0.76 118.94 123.13 1kmm s TRP 271 Ca -0.07 -0.77 0.11 0.00 0.02 0.00 0.00 56.10 55.39 1kmm s TRP 271 Cb -0.04 -2.17 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 1kmm s TRP 271 CO 0.03 -0.49 -0.20 0.08 0.02 0.00 0.00 176.95 176.39 1kmm s VAL 272 N 1.53 2.55 0.04 4.03 1.01 0.08 -0.47 120.40 129.17 1kmm s VAL 272 Ca 0.05 -2.08 0.01 0.00 0.00 0.00 0.00 61.98 59.96 1kmm s VAL 272 Cb -0.15 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1kmm s VAL 272 CO -0.00 -0.21 -0.05 0.28 0.00 0.00 0.00 175.10 175.12 1kmm s THR 273 N -1.94 0.35 -1.03 3.92 -1.32 -0.42 -0.62 115.64 114.59 1kmm s THR 273 Ca 0.24 -1.24 0.11 0.00 -1.21 0.00 0.00 61.69 59.59 1kmm s THR 273 Cb -0.07 -0.75 0.01 0.00 -1.51 0.00 0.00 72.50 70.18 1kmm s THR 273 CO 0.12 -0.58 0.68 0.59 -2.21 0.00 0.00 174.62 173.23 1kmm n ASN 274 N 1.12 1.36 0.00 8.08 5.03 -1.26 -4.18 115.26 125.40 1kmm n ASN 274 Ca -0.21 -1.18 0.08 0.00 0.87 0.00 0.00 54.58 54.14 1kmm n ASN 274 Cb 0.56 0.40 0.44 0.00 -1.02 0.00 0.00 39.78 40.16 1kmm n ASN 274 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1kmm n SER 275 N -0.11 0.00 -2.98 6.41 7.64 -1.26 -4.77 113.62 118.55 1kmm n SER 275 Ca 0.05 -0.34 -0.16 0.00 1.01 0.00 0.00 58.87 59.42 1kmm n SER 275 Cb 0.23 -0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1kmm n SER 275 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1kmm n LEU 276 N -1.08 -1.03 0.05 -3.43 7.94 -1.26 -4.71 117.00 113.49 1kmm n LEU 276 Ca 0.11 -0.08 0.08 0.00 -1.11 0.00 0.00 56.01 55.00 1kmm n LEU 276 Cb 0.07 -1.84 0.34 0.00 0.53 0.00 0.00 43.42 42.53 1kmm n LEU 276 CO 0.10 0.03 0.74 0.61 -1.11 0.00 0.00 177.39 177.76 1kmm n GLY 277 N -0.91 -1.00 0.88 -3.96 0.00 -1.26 -4.62 105.19 94.31 1kmm n GLY 277 Ca -0.04 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1kmm n GLY 277 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kmm n SER 278 N -1.77 1.40 0.17 1.61 2.88 -1.26 -3.84 113.62 112.81 1kmm n SER 278 Ca 0.02 -1.56 0.03 0.00 -1.33 0.00 0.00 58.87 56.04 1kmm n SER 278 Cb 0.15 0.21 0.29 0.00 -0.75 0.00 0.00 64.21 64.12 1kmm n SER 278 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1kmm h GLN 279 N 0.00 0.00 0.00 -1.46 5.75 -1.82 -3.44 115.11 114.14 1kmm h GLN 279 Ca -0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1kmm h GLN 279 Cb 0.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1kmm h GLN 279 CO 0.14 0.44 0.00 0.41 -2.65 0.00 0.00 178.83 177.18 1kmm n GLY 280 N 0.17 -1.04 3.74 2.39 0.00 -1.26 -4.97 105.19 104.20 1kmm n GLY 280 Ca -0.01 0.45 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 1kmm n GLY 280 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kmm s THR 281 N 0.00 4.76 -0.16 2.61 -1.32 -1.26 -1.30 115.64 118.97 1kmm s THR 281 Ca 0.00 1.70 0.15 0.00 -1.21 0.00 0.00 61.69 62.32 1kmm s THR 281 Cb 0.00 -4.15 -0.20 0.00 -1.51 0.00 0.00 72.50 66.64 1kmm s THR 281 CO 0.00 0.33 0.07 0.52 -2.21 0.00 0.00 174.62 173.32 1kmm n VAL 282 N 3.03 1.09 -3.78 5.08 0.31 0.38 -4.91 118.33 119.54 1kmm n VAL 282 Ca -0.01 -0.69 -0.13 0.00 -0.01 0.00 0.00 64.34 63.50 1kmm n VAL 282 Cb 0.50 -0.55 -0.14 0.00 -0.91 0.00 0.00 33.84 32.75 1kmm n VAL 282 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kmm s ALA 284 N 0.78 -0.75 0.00 0.00 0.00 -0.98 0.58 121.76 121.39 1kmm s ALA 284 Ca -0.06 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1kmm s ALA 284 Cb -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1kmm s ALA 284 CO -0.04 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1kmm n GLY 285 N 2.92 1.68 0.00 0.00 0.00 -0.55 -2.07 105.19 107.18 1kmm n GLY 285 Ca -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1kmm n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmm n GLY 286 N 0.00 -1.34 3.92 -0.02 0.00 -0.44 -1.79 105.19 105.52 1kmm n GLY 286 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 1kmm n GLY 286 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kmm s ARG 287 N -0.84 3.29 -0.42 1.61 3.52 0.93 -2.34 118.95 124.70 1kmm s ARG 287 Ca 0.00 0.03 0.06 0.00 -0.13 0.00 0.00 55.73 55.69 1kmm s ARG 287 Cb 0.00 -2.38 0.32 0.00 -1.56 0.00 0.00 34.95 31.33 1kmm s ARG 287 CO 0.00 -0.35 1.20 2.48 -0.81 0.00 0.00 175.30 177.82 1kmm n TYR 288 N -2.32 -2.22 -0.22 5.12 4.11 0.29 -0.56 117.16 121.36 1kmm n TYR 288 Ca 0.02 -1.76 0.12 0.00 -0.00 0.00 0.00 57.90 56.28 1kmm n TYR 288 Cb 0.56 1.52 0.42 0.00 -0.00 0.00 0.00 39.34 41.84 1kmm n TYR 288 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 1kmm h ASP 289 N 2.66 0.56 1.62 9.48 3.32 -1.82 -2.97 116.42 129.28 1kmm h ASP 289 Ca -0.18 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1kmm h ASP 289 Cb 1.15 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1kmm h ASP 289 CO 0.07 0.30 -0.26 1.23 -1.72 0.00 0.00 179.24 178.86 1kmm h GLY 290 N 0.60 0.00 1.12 2.75 0.00 -1.84 -3.38 103.07 102.32 1kmm h GLY 290 Ca 0.40 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.82 1kmm h GLY 290 CO -0.16 0.00 0.37 -2.00 0.00 0.00 0.00 176.54 174.75 1kmm h LEU 291 N 0.00 0.34 -0.22 3.11 5.85 -1.78 -1.20 115.31 121.41 1kmm h LEU 291 Ca 0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1kmm h LEU 291 Cb 0.94 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1kmm h LEU 291 CO 0.00 0.21 -0.01 0.58 -0.34 0.00 0.00 178.44 178.88 1kmm h VAL 292 N 0.38 1.26 -0.22 1.05 2.07 -1.79 -1.52 116.25 117.48 1kmm h VAL 292 Ca 0.25 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.75 1kmm h VAL 292 Cb 0.50 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1kmm h VAL 292 CO -0.07 0.28 -0.31 1.05 0.02 0.00 0.00 177.57 178.54 1kmm h GLU 293 N 0.15 0.60 -0.94 1.57 4.11 -1.61 -0.12 114.58 118.33 1kmm h GLU 293 Ca 0.06 -0.35 0.28 0.00 0.07 0.00 0.00 59.36 59.42 1kmm h GLU 293 Cb 0.42 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.54 1kmm h GLU 293 CO 0.01 0.96 0.35 0.37 0.07 0.00 0.00 179.01 180.77 1kmm h GLN 294 N 0.29 0.20 -0.82 1.06 -0.00 -1.17 0.59 115.11 115.26 1kmm h GLN 294 Ca 0.02 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.59 1kmm h GLN 294 Cb 0.89 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 28.28 1kmm h GLN 294 CO 0.07 0.13 0.10 1.28 0.00 0.00 0.00 178.83 180.41 1kmm n LEU 295 N -5.20 4.09 0.00 -2.39 4.32 -0.58 -4.88 117.00 112.35 1kmm n LEU 295 Ca 0.27 -2.10 0.00 0.00 -0.02 0.00 0.00 56.01 54.16 1kmm n LEU 295 Cb 0.85 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1kmm n LEU 295 CO 0.05 0.56 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 1kmm n GLY 296 N 0.15 0.49 2.10 -0.72 0.00 0.21 -5.04 105.19 102.38 1kmm n GLY 296 Ca 0.21 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 1kmm n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmm n GLY 297 N -2.85 3.17 3.77 -0.02 0.00 -0.08 -4.99 105.19 104.20 1kmm n GLY 297 Ca 0.00 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 1kmm n GLY 297 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kmm s ARG 298 N -3.19 4.42 -0.11 1.61 1.81 -1.26 -3.84 118.95 118.40 1kmm s ARG 298 Ca 0.12 0.96 -0.36 0.00 -1.72 0.00 0.00 55.73 54.73 1kmm s ARG 298 Cb -0.01 -3.30 -0.14 0.00 -0.45 0.00 0.00 34.95 31.05 1kmm s ARG 298 CO 0.08 0.47 1.75 0.00 -0.68 0.00 0.00 175.30 176.91 1kmm n ALA 299 N 2.18 0.40 -2.99 2.13 0.00 -1.26 -4.46 120.51 116.51 1kmm n ALA 299 Ca -0.06 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 1kmm n ALA 299 Cb 0.50 -2.35 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 1kmm n ALA 299 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kmm s THR 300 N 3.21 0.01 0.55 0.00 2.01 -1.26 -4.96 115.64 115.20 1kmm s THR 300 Ca 0.92 -0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.63 1kmm s THR 300 Cb -0.84 -0.19 -0.06 0.00 0.01 0.00 0.00 72.50 71.42 1kmm s THR 300 CO 0.54 -0.07 1.03 -2.84 -0.69 0.00 0.00 174.62 172.60 1kmm s PRO 301 N -0.17 3.59 0.02 4.92 0.02 -1.26 -4.71 135.00 137.41 1kmm s PRO 301 Ca -0.02 1.18 -0.24 0.00 0.02 0.00 0.00 61.00 61.94 1kmm s PRO 301 Cb -0.02 -2.07 0.05 0.00 0.02 0.00 0.00 34.50 32.48 1kmm s PRO 301 CO 0.00 -0.58 0.54 0.00 -0.33 0.00 0.00 177.00 176.63 1kmm s ALA 302 N -2.39 -1.38 0.18 -1.55 0.00 -1.26 -0.94 121.76 114.42 1kmm s ALA 302 Ca 0.63 0.72 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 1kmm s ALA 302 Cb -0.14 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1kmm s ALA 302 CO 0.31 -0.46 0.50 0.08 0.00 0.00 0.00 175.76 176.19 1kmm s VAL 303 N -2.12 0.03 -2.53 0.00 1.01 -0.98 -0.55 120.40 115.26 1kmm s VAL 303 Ca -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1kmm s VAL 303 Cb -0.01 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1kmm s VAL 303 CO 0.01 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1kmm n GLY 304 N -0.32 -1.39 3.69 4.51 0.00 -0.99 -1.49 105.19 109.20 1kmm n GLY 304 Ca -0.12 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 1kmm n GLY 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kmm s PHE 305 N -2.89 -0.19 0.00 1.61 -0.12 -0.53 -1.33 117.98 114.52 1kmm s PHE 305 Ca 0.00 -0.08 -0.02 0.00 -0.05 0.00 0.00 56.93 56.79 1kmm s PHE 305 Cb 0.00 0.62 -0.01 0.00 -0.63 0.00 0.00 43.02 43.00 1kmm s PHE 305 CO 0.00 -0.78 0.02 0.00 -0.05 0.00 0.00 175.22 174.41 1kmm s ALA 306 N -3.29 -0.04 0.07 1.99 0.00 -0.88 -0.38 121.76 119.23 1kmm s ALA 306 Ca 0.10 -0.18 0.09 0.00 0.00 0.00 0.00 51.96 51.97 1kmm s ALA 306 Cb -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1kmm s ALA 306 CO -0.01 -0.09 -0.24 1.41 0.00 0.00 0.00 175.76 176.83 1kmm s MET 307 N -0.71 1.49 -0.51 0.00 0.00 0.17 -2.32 119.30 117.41 1kmm s MET 307 Ca -0.08 -1.09 -0.22 0.00 0.00 0.00 0.00 55.69 54.30 1kmm s MET 307 Cb -0.05 -1.70 0.04 0.00 0.00 0.00 0.00 34.83 33.12 1kmm s MET 307 CO -0.00 0.43 0.81 0.20 0.00 0.00 0.00 175.02 176.45 1kmm s GLY 308 N -1.43 1.56 0.36 2.11 0.00 -0.91 -1.17 107.32 107.85 1kmm s GLY 308 Ca 0.10 -1.33 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1kmm s GLY 308 CO 0.03 1.81 2.02 1.41 0.00 0.00 0.00 173.10 178.37 1kmm h LEU 309 N 10.40 0.67 -0.52 0.66 3.38 -1.55 -1.57 115.31 126.78 1kmm h LEU 309 Ca -0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1kmm h LEU 309 Cb 1.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1kmm h LEU 309 CO 1.02 0.48 0.29 -0.33 0.09 0.00 0.00 178.44 179.99 1kmm h GLU 310 N 0.79 0.72 -0.32 1.13 3.07 -1.92 0.27 114.58 118.32 1kmm h GLU 310 Ca 0.22 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.89 1kmm h GLU 310 Cb -0.05 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1kmm h GLU 310 CO -0.05 0.55 -0.28 0.00 -1.40 0.00 0.00 179.01 177.82 1kmm h ARG 311 N 0.69 0.67 0.37 2.33 3.08 -1.66 -1.34 114.38 118.52 1kmm h ARG 311 Ca 0.18 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1kmm h ARG 311 Cb 0.03 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1kmm h ARG 311 CO -0.03 0.88 -0.18 1.25 -1.07 0.00 0.00 179.97 180.82 1kmm h LEU 312 N 0.58 -0.42 -1.41 3.04 5.85 -0.73 0.24 115.31 122.46 1kmm h LEU 312 Ca 0.07 -0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1kmm h LEU 312 Cb 0.78 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1kmm h LEU 312 CO 0.06 -0.14 0.53 0.58 -0.34 0.00 0.00 178.44 179.14 1kmm h VAL 313 N -0.71 0.86 -0.11 1.05 2.07 -0.42 -0.56 116.25 118.43 1kmm h VAL 313 Ca -0.05 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1kmm h VAL 313 Cb 0.50 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1kmm h VAL 313 CO 0.08 0.11 -0.06 -0.07 0.02 0.00 0.00 177.57 177.65 1kmm h LEU 314 N 0.60 0.25 -1.16 2.57 3.38 -0.80 -2.58 115.31 117.57 1kmm h LEU 314 Ca 0.39 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1kmm h LEU 314 Cb 0.67 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1kmm h LEU 314 CO -0.15 0.61 0.57 0.25 0.09 0.00 0.00 178.44 179.81 1kmm h LEU 315 N -0.11 0.95 0.10 1.67 5.85 0.77 -2.07 115.31 122.47 1kmm h LEU 315 Ca 0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1kmm h LEU 315 Cb 0.52 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1kmm h LEU 315 CO 0.02 0.67 -0.05 0.58 -0.34 0.00 0.00 178.44 179.31 1kmm h VAL 316 N 1.11 1.12 0.00 1.05 2.07 -1.14 -0.81 116.25 119.65 1kmm h VAL 316 Ca 0.34 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1kmm h VAL 316 Cb -0.02 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1kmm h VAL 316 CO -0.09 0.24 0.00 1.56 0.02 0.00 0.00 177.57 179.29 1kmm h GLN 317 N -0.62 0.00 0.00 1.57 4.20 -1.40 0.57 115.11 119.43 1kmm h GLN 317 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1kmm h GLN 317 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1kmm h GLN 317 CO 0.02 0.00 -0.22 0.00 -0.67 0.00 0.00 178.83 177.96 1kmm h ALA 318 N 2.01 0.00 -0.22 3.87 0.00 -1.18 -3.37 119.26 120.36 1kmm h ALA 318 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1kmm h ALA 318 Cb 0.06 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1kmm h ALA 318 CO 0.00 0.22 -0.38 0.28 0.00 0.00 0.00 179.25 179.36 1kmm h VAL 319 N -0.85 1.30 -2.69 0.00 2.07 -1.06 -3.33 116.25 111.69 1kmm h VAL 319 Ca 0.00 -1.53 -0.77 0.00 0.82 0.00 0.00 66.70 65.22 1kmm h VAL 319 Cb 0.22 1.55 -0.31 0.00 -1.52 0.00 0.00 31.29 31.23 1kmm h VAL 319 CO 0.00 0.48 0.55 -3.20 0.02 0.00 0.00 177.57 175.42 1kmm n ASN 320 N -4.04 6.07 -0.15 0.57 2.85 0.20 -4.94 115.26 115.83 1kmm n ASN 320 Ca -0.01 -3.47 0.01 0.00 -0.11 0.00 0.00 54.58 51.00 1kmm n ASN 320 Cb 0.50 -1.14 0.04 0.00 1.24 0.00 0.00 39.78 40.42 1kmm n ASN 320 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1kmm n PRO 321 N 1.01 -0.06 -3.34 1.20 -0.04 -1.25 -2.23 135.00 130.29 1kmm n PRO 321 Ca 0.29 0.62 -0.26 0.00 -0.04 0.00 0.00 63.50 64.11 1kmm n PRO 321 Cb 0.34 -0.92 -0.08 0.00 -0.04 0.00 0.00 33.50 32.80 1kmm n PRO 321 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1kmm n GLU 322 N -4.62 2.11 -3.36 0.54 1.02 -1.26 -4.93 120.64 110.14 1kmm n GLU 322 Ca 0.05 -4.32 -0.46 0.00 -0.02 0.00 0.00 57.16 52.42 1kmm n GLU 322 Cb 0.18 -2.00 -0.04 0.00 -0.02 0.00 0.00 31.44 29.57 1kmm n GLU 322 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1kmm s PHE 323 N -2.22 3.59 0.74 -0.32 2.19 -0.95 -5.04 117.98 115.97 1kmm s PHE 323 Ca 0.39 -1.84 -0.00 0.00 0.33 0.00 0.00 56.93 55.81 1kmm s PHE 323 Cb 0.16 -3.76 0.14 0.00 -1.31 0.00 0.00 43.02 38.25 1kmm s PHE 323 CO -0.04 -0.99 1.01 0.15 1.83 0.00 0.00 175.22 177.18 1kmm s LYS 324 N 0.60 1.58 0.41 10.12 1.02 -1.26 -5.02 119.74 127.19 1kmm s LYS 324 Ca 0.13 -1.20 0.03 0.00 0.02 0.00 0.00 55.97 54.95 1kmm s LYS 324 Cb -0.17 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1kmm s LYS 324 CO -0.05 -1.52 0.08 0.00 -0.92 0.00 0.00 175.35 172.94 1kmm s ALA 325 N -3.17 3.01 0.29 5.17 0.00 -1.26 -5.03 121.76 120.77 1kmm s ALA 325 Ca 0.67 -1.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 1kmm s ALA 325 Cb -0.04 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.55 1kmm s ALA 325 CO 0.45 -0.26 0.72 -0.51 0.00 0.00 0.00 175.76 176.16 1kmm s ASP 326 N -3.63 6.85 0.77 0.00 1.01 -1.26 -5.03 116.67 115.38 1kmm s ASP 326 Ca 0.24 1.30 -0.15 0.00 0.71 0.00 0.00 52.55 54.65 1kmm s ASP 326 Cb 0.04 -2.38 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 1kmm s ASP 326 CO 0.13 -0.12 0.67 -2.65 0.21 0.00 0.00 175.17 173.40 1kmm n PRO 327 N -0.02 0.22 0.23 8.23 -0.02 -1.26 -4.86 135.00 137.52 1kmm n PRO 327 Ca 0.01 0.12 0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1kmm n PRO 327 Cb 0.52 -1.98 0.49 0.00 -0.02 0.00 0.00 33.50 32.52 1kmm n PRO 327 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1kmm h VAL 328 N -0.63 0.56 -3.93 -1.45 -1.51 -1.92 -3.45 116.25 103.93 1kmm h VAL 328 Ca -0.46 -1.06 -0.24 0.00 -1.23 0.00 0.00 66.70 63.72 1kmm h VAL 328 Cb 1.33 1.71 -0.23 0.00 -2.13 0.00 0.00 31.29 31.97 1kmm h VAL 328 CO 0.42 0.21 -0.72 0.54 -1.23 0.00 0.00 177.57 176.79 1kmm s VAL 329 N -3.72 0.29 -0.19 7.19 0.11 -1.25 -4.90 120.40 117.93 1kmm s VAL 329 Ca 0.00 -0.74 -0.09 0.00 -2.93 0.00 0.00 61.98 58.22 1kmm s VAL 329 Cb 0.11 -0.36 -0.08 0.00 -1.53 0.00 0.00 36.38 34.52 1kmm s VAL 329 CO 0.63 -0.29 -0.24 0.47 -3.33 0.00 0.00 175.10 172.34 1kmm n ASP 330 N 1.97 1.32 -4.22 3.54 8.00 0.79 -3.48 116.55 124.47 1kmm n ASP 330 Ca -0.20 0.22 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 1kmm n ASP 330 Cb 0.56 -0.54 -0.17 0.00 -0.02 0.00 0.00 41.12 40.95 1kmm n ASP 330 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1kmm s ILE 331 N -2.34 2.06 -0.13 0.53 1.09 -0.40 -0.09 121.20 121.91 1kmm s ILE 331 Ca -0.26 -1.01 -0.02 0.00 -1.10 0.00 0.00 60.65 58.26 1kmm s ILE 331 Cb 0.10 -1.78 -0.03 0.00 -1.06 0.00 0.00 42.46 39.69 1kmm s ILE 331 CO 0.33 0.56 -0.05 -0.47 -0.10 0.00 0.00 174.94 175.20 1kmm s TYR 332 N 0.38 2.99 -0.66 3.97 5.04 -0.87 -1.18 117.35 127.01 1kmm s TYR 332 Ca -0.18 -0.23 -0.15 0.00 -2.44 0.00 0.00 57.07 54.07 1kmm s TYR 332 Cb -0.18 -1.88 0.17 0.00 0.35 0.00 0.00 41.96 40.42 1kmm s TYR 332 CO 0.08 0.06 0.62 -1.17 -1.34 0.00 0.00 175.55 173.80 1kmm s LEU 333 N 0.02 6.43 0.27 6.97 0.20 0.04 -1.80 118.68 130.81 1kmm s LEU 333 Ca -0.00 -2.17 -0.29 0.00 0.69 0.00 0.00 54.13 52.35 1kmm s LEU 333 Cb -0.13 -2.21 -0.09 0.00 -0.43 0.00 0.00 46.19 43.32 1kmm s LEU 333 CO 0.03 -0.74 0.99 -0.69 -0.29 0.00 0.00 176.35 175.65 1kmm s VAL 334 N 0.99 3.88 -0.30 1.68 1.01 -0.99 -2.01 120.40 124.67 1kmm s VAL 334 Ca 0.09 1.85 -0.08 0.00 0.00 0.00 0.00 61.98 63.84 1kmm s VAL 334 Cb -0.21 -4.16 0.17 0.00 0.00 0.00 0.00 36.38 32.18 1kmm s VAL 334 CO -0.02 0.41 0.77 0.00 0.00 0.00 0.00 175.10 176.26 1kmm s ALA 335 N -1.23 -2.53 0.08 5.51 0.00 -1.26 -1.47 121.76 120.86 1kmm s ALA 335 Ca 0.44 1.92 0.06 0.00 0.00 0.00 0.00 51.96 54.37 1kmm s ALA 335 Cb -0.27 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 1kmm s ALA 335 CO 0.34 -1.20 -0.15 0.45 0.00 0.00 0.00 175.76 175.20 1kmm s SER 336 N 2.81 1.87 0.00 0.00 0.15 -1.24 -4.87 113.70 112.42 1kmm s SER 336 Ca 0.06 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1kmm s SER 336 Cb -0.12 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1kmm s SER 336 CO -0.18 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1kmm n GLY 337 N 1.12 1.05 3.61 9.45 0.00 -1.26 -3.83 105.19 115.33 1kmm n GLY 337 Ca -0.20 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 1kmm n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kmm s ALA 338 N -1.04 3.10 -1.32 4.61 0.00 -1.26 -3.47 121.76 122.37 1kmm s ALA 338 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1kmm s ALA 338 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1kmm s ALA 338 CO 0.00 -2.29 0.00 -0.25 0.00 0.00 0.00 175.76 173.22 1kmm n ASP 339 N 8.68 -4.45 -0.09 0.00 8.00 -1.26 -4.92 116.55 122.50 1kmm n ASP 339 Ca 0.17 0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.74 1kmm n ASP 339 Cb 0.48 -3.31 -0.04 0.00 -0.02 0.00 0.00 41.12 38.22 1kmm n ASP 339 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1kmm h THR 340 N 0.00 1.30 -0.89 -3.53 2.02 -1.90 -3.33 112.91 106.59 1kmm h THR 340 Ca -0.29 -1.45 0.24 0.00 0.77 0.00 0.00 66.41 65.68 1kmm h THR 340 Cb 1.00 1.57 -0.15 0.00 -1.74 0.00 0.00 68.15 68.84 1kmm h THR 340 CO 0.39 0.47 0.22 1.56 0.37 0.00 0.00 175.52 178.52 1kmm h GLN 341 N 0.46 0.17 -0.53 6.66 1.08 -1.89 0.33 115.11 121.38 1kmm h GLN 341 Ca 0.05 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1kmm h GLN 341 Cb 0.86 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.22 1kmm h GLN 341 CO 0.07 0.11 0.10 1.03 -0.95 0.00 0.00 178.83 179.20 1kmm h SER 342 N 0.18 0.78 0.20 1.46 0.87 -2.00 -0.76 113.55 114.27 1kmm h SER 342 Ca 0.56 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 1kmm h SER 342 Cb 1.15 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1kmm h SER 342 CO -0.69 0.78 -0.09 0.00 -0.53 0.00 0.00 176.83 176.30 1kmm h ALA 343 N 1.32 -0.26 -0.37 6.23 0.00 -0.62 -2.36 119.26 123.20 1kmm h ALA 343 Ca 0.17 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1kmm h ALA 343 Cb 0.33 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1kmm h ALA 343 CO 0.00 -0.58 0.10 0.00 0.00 0.00 0.00 179.25 178.78 1kmm h ALA 344 N 0.37 0.41 -0.30 0.00 0.00 -0.50 0.97 119.26 120.21 1kmm h ALA 344 Ca -0.03 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1kmm h ALA 344 Cb 0.31 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1kmm h ALA 344 CO 0.04 -0.30 -0.11 0.52 0.00 0.00 0.00 179.25 179.40 1kmm h MET 345 N 0.23 0.50 -0.19 0.00 2.86 -1.19 0.68 114.93 117.84 1kmm h MET 345 Ca 0.17 -0.14 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 1kmm h MET 345 Cb 0.18 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1kmm h MET 345 CO -0.20 0.61 -0.49 0.00 1.06 0.00 0.00 176.91 177.89 1kmm h ALA 346 N 1.42 0.80 -0.10 6.32 0.00 -0.80 0.18 119.26 127.08 1kmm h ALA 346 Ca 0.09 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 1kmm h ALA 346 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1kmm h ALA 346 CO 0.03 0.67 -0.63 1.25 0.00 0.00 0.00 179.25 180.57 1kmm h LEU 347 N 0.40 0.43 -0.27 0.00 5.85 -0.33 -2.59 115.31 118.80 1kmm h LEU 347 Ca 0.02 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1kmm h LEU 347 Cb 1.01 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1kmm h LEU 347 CO 0.09 0.95 -0.05 0.00 -0.34 0.00 0.00 178.44 179.08 1kmm h ALA 348 N 1.05 0.37 -0.45 1.25 0.00 -0.50 -1.45 119.26 119.53 1kmm h ALA 348 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1kmm h ALA 348 Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1kmm h ALA 348 CO 0.11 0.16 0.20 0.93 0.00 0.00 0.00 179.25 180.65 1kmm h GLU 349 N 0.26 0.63 0.31 0.00 4.39 -0.58 -1.97 114.58 117.63 1kmm h GLU 349 Ca 0.07 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1kmm h GLU 349 Cb 0.52 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1kmm h GLU 349 CO 0.02 0.50 -0.15 -0.09 -1.16 0.00 0.00 179.01 178.14 1kmm h ARG 350 N 0.63 -0.40 -0.13 2.33 2.43 -1.32 -2.59 114.38 115.32 1kmm h ARG 350 Ca 0.16 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1kmm h ARG 350 Cb 0.09 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1kmm h ARG 350 CO -0.02 -0.08 0.36 -0.07 -1.51 0.00 0.00 179.97 178.65 1kmm h LEU 351 N -0.95 0.00 -0.06 3.80 4.07 -1.20 0.24 115.31 121.21 1kmm h LEU 351 Ca -0.04 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.74 1kmm h LEU 351 Cb 0.51 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.26 1kmm h LEU 351 CO 0.07 0.00 -0.66 0.03 -1.08 0.00 0.00 178.44 176.80 1kmm h ARG 352 N 0.00 0.55 -0.74 1.13 3.08 -1.17 0.94 114.38 118.17 1kmm h ARG 352 Ca 0.06 -0.51 -0.06 0.00 0.07 0.00 0.00 59.98 59.54 1kmm h ARG 352 Cb 0.78 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1kmm h ARG 352 CO -0.00 1.14 0.23 -0.44 -1.07 0.00 0.00 179.97 179.83 1kmm h ASP 353 N 0.14 1.07 0.97 7.04 3.32 -0.22 -3.14 116.42 125.59 1kmm h ASP 353 Ca -0.07 -0.21 -0.21 0.00 0.02 0.00 0.00 57.03 56.57 1kmm h ASP 353 Cb 1.32 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1kmm h ASP 353 CO 0.13 0.99 -1.07 -0.33 -1.72 0.00 0.00 179.24 177.24 1kmm h GLU 354 N 1.09 0.00 -2.53 3.56 5.08 -1.10 -3.39 114.58 117.28 1kmm h GLU 354 Ca 0.24 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.94 1kmm h GLU 354 Cb 0.30 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.17 1kmm h GLU 354 CO -0.01 0.80 -0.24 1.28 -1.00 0.00 0.00 179.01 179.84 1kmm n LEU 355 N -3.25 4.34 -4.77 1.33 4.77 0.32 -5.07 117.00 114.67 1kmm n LEU 355 Ca -0.03 -5.35 -0.40 0.00 -0.03 0.00 0.00 56.01 50.20 1kmm n LEU 355 Cb 0.92 -0.85 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1kmm n LEU 355 CO 0.45 1.91 0.99 -2.84 -1.33 0.00 0.00 177.39 176.57 1kmm s PRO 356 N -2.37 4.16 0.00 3.23 0.02 -1.23 -2.68 135.00 136.13 1kmm s PRO 356 Ca 0.36 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1kmm s PRO 356 Cb 0.09 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1kmm s PRO 356 CO -0.01 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 1kmm n GLY 357 N 0.70 3.30 3.84 0.52 0.00 -1.26 -5.05 105.19 107.24 1kmm n GLY 357 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1kmm n GLY 357 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kmm s VAL 358 N -2.67 4.37 -0.32 1.61 -7.23 -1.09 -5.03 120.40 110.04 1kmm s VAL 358 Ca 0.00 1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 61.25 1kmm s VAL 358 Cb 0.00 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.35 1kmm s VAL 358 CO 0.00 -0.69 0.04 -0.54 -0.31 0.00 0.00 175.10 173.60 1kmm s LYS 359 N -4.19 2.34 -0.11 4.82 1.02 -1.26 -5.02 119.74 117.35 1kmm s LYS 359 Ca 0.60 -1.37 0.03 0.00 0.02 0.00 0.00 55.97 55.25 1kmm s LYS 359 Cb -0.11 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1kmm s LYS 359 CO 0.35 -0.71 -0.22 -1.17 -0.92 0.00 0.00 175.35 172.68 1kmm s LEU 360 N 1.23 2.02 -0.11 3.17 0.20 -1.26 -0.15 118.68 123.79 1kmm s LEU 360 Ca -0.02 -0.53 0.03 0.00 0.69 0.00 0.00 54.13 54.29 1kmm s LEU 360 Cb -0.20 -1.34 -0.00 0.00 -0.43 0.00 0.00 46.19 44.22 1kmm s LEU 360 CO -0.01 0.12 -0.21 -0.32 -0.29 0.00 0.00 176.35 175.63 1kmm s MET 361 N 0.53 3.12 -0.38 1.98 -2.45 -0.33 -4.99 119.30 116.78 1kmm s MET 361 Ca -0.15 -0.83 -0.26 0.00 -1.25 0.00 0.00 55.69 53.20 1kmm s MET 361 Cb -0.17 -2.40 0.02 0.00 1.25 0.00 0.00 34.83 33.53 1kmm s MET 361 CO 0.05 0.15 0.92 0.99 1.05 0.00 0.00 175.02 178.18 1kmm s THR 362 N 0.42 4.58 0.45 10.11 2.01 -1.26 -0.78 115.64 131.17 1kmm s THR 362 Ca -0.15 1.11 -0.25 0.00 0.31 0.00 0.00 61.69 62.72 1kmm s THR 362 Cb -0.17 -4.34 -0.09 0.00 0.01 0.00 0.00 72.50 67.91 1kmm s THR 362 CO 0.07 -0.57 1.25 -3.20 -0.69 0.00 0.00 174.62 171.48 1kmm n ASN 363 N 6.81 2.42 -4.12 3.53 5.15 -0.85 -4.94 115.26 123.26 1kmm n ASN 363 Ca 0.07 1.07 -0.08 0.00 -0.60 0.00 0.00 54.58 55.04 1kmm n ASN 363 Cb 0.48 -1.50 -0.10 0.00 -0.53 0.00 0.00 39.78 38.13 1kmm n ASN 363 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1kmm s HIS 364 N -1.23 0.64 -0.12 1.20 3.76 -1.26 -4.85 115.29 113.42 1kmm s HIS 364 Ca 0.63 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1kmm s HIS 364 Cb -0.49 -0.43 0.00 0.00 1.11 0.00 0.00 32.58 32.77 1kmm s HIS 364 CO 0.56 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.54 1kmm n GLY 365 N 0.06 0.44 7.00 -2.22 0.00 -1.26 -4.89 105.19 104.31 1kmm n GLY 365 Ca -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1kmm n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmm n GLY 366 N -2.43 0.96 0.00 -0.02 0.00 -1.26 -5.04 105.19 97.39 1kmm n GLY 366 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1kmm n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kmm n GLY 367 N 0.00 2.90 3.75 -0.02 0.00 -1.26 -4.89 105.19 105.67 1kmm n GLY 367 Ca 0.00 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1kmm n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kmm s ASN 368 N 0.00 4.21 0.58 1.61 2.20 -1.26 -4.71 114.94 117.57 1kmm s ASN 368 Ca 0.00 1.95 0.28 0.00 -0.94 0.00 0.00 52.86 54.16 1kmm s ASN 368 Cb 0.00 -2.54 1.50 0.00 -2.00 0.00 0.00 41.25 38.21 1kmm s ASN 368 CO 0.00 -2.24 1.95 -0.26 -2.94 0.00 0.00 177.10 173.61 1kmm h PHE 369 N -1.11 0.00 -0.13 1.54 0.04 -1.98 -0.45 116.94 114.85 1kmm h PHE 369 Ca -0.44 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.32 1kmm h PHE 369 Cb 1.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.39 1kmm h PHE 369 CO 0.55 0.00 0.02 0.87 -0.60 0.00 0.00 178.31 179.15 1kmm h LYS 370 N 0.00 0.21 -0.11 1.51 6.56 -1.99 -1.12 116.57 121.63 1kmm h LYS 370 Ca 0.21 -0.06 -0.04 0.00 -1.06 0.00 0.00 60.65 59.70 1kmm h LYS 370 Cb 1.05 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1kmm h LYS 370 CO -0.00 0.40 -0.08 -0.22 -2.06 0.00 0.00 179.45 177.48 1kmm h LYS 371 N -0.01 0.24 -0.91 3.15 1.63 -1.45 -2.62 116.57 116.60 1kmm h LYS 371 Ca 0.04 -0.12 0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1kmm h LYS 371 Cb 0.29 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.86 1kmm h LYS 371 CO 0.00 0.63 0.59 1.96 -3.45 0.00 0.00 179.45 179.19 1kmm h GLN 372 N -0.14 1.07 -0.70 1.90 4.20 -1.40 0.50 115.11 120.54 1kmm h GLN 372 Ca 0.02 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1kmm h GLN 372 Cb 0.58 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1kmm h GLN 372 CO 0.02 0.71 0.19 0.74 -0.67 0.00 0.00 178.83 179.82 1kmm h PHE 373 N 1.11 1.14 -0.22 2.96 0.04 -1.18 -0.98 116.94 119.80 1kmm h PHE 373 Ca 0.37 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.94 1kmm h PHE 373 Cb 0.07 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 1kmm h PHE 373 CO -0.00 0.92 -0.17 0.00 -0.60 0.00 0.00 178.31 178.45 1kmm h ALA 374 N 1.15 1.30 -0.41 2.45 0.00 -0.83 -2.32 119.26 120.60 1kmm h ALA 374 Ca 0.22 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1kmm h ALA 374 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1kmm h ALA 374 CO -0.00 0.47 -0.30 0.00 0.00 0.00 0.00 179.25 179.41 1kmm h ARG 375 N 0.35 0.90 -0.49 0.00 3.08 -0.08 -1.21 114.38 116.93 1kmm h ARG 375 Ca 0.06 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 59.70 1kmm h ARG 375 Cb 0.51 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1kmm h ARG 375 CO 0.03 1.08 0.32 0.00 -1.07 0.00 0.00 179.97 180.33 1kmm h ALA 376 N 0.89 0.62 -0.85 0.04 0.00 -0.80 -1.14 119.26 118.02 1kmm h ALA 376 Ca 0.08 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1kmm h ALA 376 Cb 0.87 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1kmm h ALA 376 CO 0.08 0.05 0.53 -0.44 0.00 0.00 0.00 179.25 179.47 1kmm h ASP 377 N 0.65 0.84 -0.38 0.00 3.32 -1.13 -0.39 116.42 119.33 1kmm h ASP 377 Ca 0.18 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.31 1kmm h ASP 377 Cb -0.05 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 1kmm h ASP 377 CO -0.05 0.55 0.01 0.50 -1.72 0.00 0.00 179.24 178.53 1kmm h LYS 378 N 0.98 0.11 0.00 3.56 3.64 0.02 -2.29 116.57 122.59 1kmm h LYS 378 Ca 0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1kmm h LYS 378 Cb 0.13 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1kmm h LYS 378 CO -0.16 0.07 0.00 -1.49 -2.27 0.00 0.00 179.45 175.61 1kmm h TRP 379 N 0.12 0.00 0.00 1.91 4.06 -0.84 -3.48 115.95 117.72 1kmm h TRP 379 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 1kmm h TRP 379 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1kmm h TRP 379 CO -0.25 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.04 1kmm n GLY 380 N 0.98 0.91 3.74 1.49 0.00 -0.22 -3.78 105.19 108.32 1kmm n GLY 380 Ca 0.04 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1kmm n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kmm s ALA 381 N -2.00 3.68 -0.00 4.61 0.00 -0.96 -4.67 121.76 122.42 1kmm s ALA 381 Ca 0.00 1.39 0.10 0.00 0.00 0.00 0.00 51.96 53.44 1kmm s ALA 381 Cb 0.00 -3.59 -0.23 0.00 0.00 0.00 0.00 23.12 19.30 1kmm s ALA 381 CO 0.00 -0.80 0.81 0.00 0.00 0.00 0.00 175.76 175.77 1kmm h ARG 382 N 5.30 0.02 -6.14 0.00 3.08 -0.72 -3.44 114.38 112.48 1kmm h ARG 382 Ca -0.46 -0.04 -0.56 0.00 0.07 0.00 0.00 59.98 59.00 1kmm h ARG 382 Cb 1.22 0.02 -0.22 0.00 0.08 0.00 0.00 29.97 31.06 1kmm h ARG 382 CO 0.80 0.67 -0.83 0.08 -1.07 0.00 0.00 179.97 179.63 1kmm s VAL 383 N -2.62 1.69 -0.05 2.04 1.01 -0.97 -1.31 120.40 120.20 1kmm s VAL 383 Ca -0.04 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 60.46 1kmm s VAL 383 Cb 0.08 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1kmm s VAL 383 CO 0.82 -0.05 -0.13 0.00 0.00 0.00 0.00 175.10 175.75 1kmm s ALA 384 N -1.14 1.25 -0.48 5.51 0.00 0.65 -2.05 121.76 125.49 1kmm s ALA 384 Ca 0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1kmm s ALA 384 Cb -0.10 -0.47 0.12 0.00 0.00 0.00 0.00 23.12 22.67 1kmm s ALA 384 CO 0.04 0.18 0.33 0.08 0.00 0.00 0.00 175.76 176.39 1kmm s VAL 385 N 0.29 3.92 0.48 0.00 1.01 -0.74 -0.15 120.40 125.21 1kmm s VAL 385 Ca -0.07 -2.01 -0.19 0.00 0.00 0.00 0.00 61.98 59.71 1kmm s VAL 385 Cb -0.12 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1kmm s VAL 385 CO 0.02 -0.77 0.98 -0.69 0.00 0.00 0.00 175.10 174.65 1kmm s VAL 386 N 1.11 4.28 -0.48 2.92 1.01 0.39 -2.33 120.40 127.31 1kmm s VAL 386 Ca 0.08 1.30 0.06 0.00 0.00 0.00 0.00 61.98 63.42 1kmm s VAL 386 Cb -0.24 -3.59 0.21 0.00 0.00 0.00 0.00 36.38 32.75 1kmm s VAL 386 CO -0.02 -0.43 0.68 -0.11 0.00 0.00 0.00 175.10 175.22 1kmm n LEU 387 N -1.07 -2.38 0.00 3.92 0.00 -0.54 -1.77 117.00 115.15 1kmm n LEU 387 Ca 0.07 -3.48 0.00 0.00 0.00 0.00 0.00 56.01 52.60 1kmm n LEU 387 Cb 0.54 0.73 0.00 0.00 0.00 0.00 0.00 43.42 44.69 1kmm n LEU 387 CO 0.41 1.95 0.00 0.61 0.00 0.00 0.00 177.39 180.36 1kmm n GLY 388 N 2.42 -1.24 0.25 -3.96 0.00 -1.26 -3.67 105.19 97.73 1kmm n GLY 388 Ca 0.18 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 1kmm n GLY 388 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1kmm h GLU 389 N 0.00 0.87 0.03 1.61 4.22 -1.96 -3.10 114.58 116.25 1kmm h GLU 389 Ca 0.00 -0.52 -0.00 0.00 0.08 0.00 0.00 59.36 58.92 1kmm h GLU 389 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1kmm h GLU 389 CO 0.00 1.16 -0.02 0.77 -2.18 0.00 0.00 179.01 178.74 1kmm h SER 390 N 0.65 -0.04 -0.96 1.04 0.02 -1.94 -3.20 113.55 109.12 1kmm h SER 390 Ca 0.03 -0.21 0.17 0.00 -0.84 0.00 0.00 61.79 60.94 1kmm h SER 390 Cb 1.08 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.53 1kmm h SER 390 CO 0.11 0.19 0.56 -0.33 -1.14 0.00 0.00 176.83 176.22 1kmm h GLU 391 N -0.26 0.72 -0.52 3.45 3.07 -1.87 0.04 114.58 119.20 1kmm h GLU 391 Ca -0.00 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 1kmm h GLU 391 Cb 0.25 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1kmm h GLU 391 CO 0.01 0.48 0.11 -0.39 -1.40 0.00 0.00 179.01 177.81 1kmm h VAL 392 N 0.74 1.25 0.19 3.13 -1.51 -1.54 -0.94 116.25 117.57 1kmm h VAL 392 Ca 0.54 -0.89 -0.01 0.00 -1.23 0.00 0.00 66.70 65.11 1kmm h VAL 392 Cb 0.79 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1kmm h VAL 392 CO -0.37 0.32 -0.09 0.00 -1.23 0.00 0.00 177.57 176.20 1kmm h ALA 393 N 0.99 -0.26 0.00 5.19 0.00 -1.34 -3.09 119.26 120.76 1kmm h ALA 393 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kmm h ALA 393 Cb 0.36 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1kmm h ALA 393 CO 0.01 -0.46 0.00 0.09 0.00 0.00 0.00 179.25 178.88 1kmm n ASN 394 N -5.05 0.00 -2.41 0.00 3.02 -0.09 -4.86 115.26 105.88 1kmm n ASN 394 Ca -0.09 -0.57 -0.20 0.00 -0.03 0.00 0.00 54.58 53.69 1kmm n ASN 394 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1kmm n ASN 394 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kmm n GLY 395 N -0.01 -0.46 0.00 7.41 0.00 -0.81 -4.98 105.19 106.34 1kmm n GLY 395 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1kmm n GLY 395 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kmm n THR 396 N -4.12 0.00 -3.64 2.61 -2.24 -0.42 -2.24 114.28 104.23 1kmm n THR 396 Ca -0.21 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1kmm n THR 396 Cb 0.67 -0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 1kmm n THR 396 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kmm s ALA 397 N -2.00 -1.96 -0.08 6.98 0.00 -0.61 -4.55 121.76 119.54 1kmm s ALA 397 Ca 0.00 1.88 -0.16 0.00 0.00 0.00 0.00 51.96 53.68 1kmm s ALA 397 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 1kmm s ALA 397 CO 0.00 -0.25 0.40 0.08 0.00 0.00 0.00 175.76 176.00 1kmm s VAL 398 N 0.20 5.15 -0.54 0.00 1.01 -0.73 -0.69 120.40 124.80 1kmm s VAL 398 Ca 0.03 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 62.77 1kmm s VAL 398 Cb -0.05 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.74 1kmm s VAL 398 CO -0.05 0.45 0.37 -0.69 0.00 0.00 0.00 175.10 175.17 1kmm s VAL 399 N -0.13 3.77 -0.10 2.92 1.01 0.02 -0.46 120.40 127.43 1kmm s VAL 399 Ca 0.23 -2.44 -0.28 0.00 0.00 0.00 0.00 61.98 59.49 1kmm s VAL 399 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1kmm s VAL 399 CO 0.10 -0.81 0.93 -0.54 0.00 0.00 0.00 175.10 174.78 1kmm s LYS 400 N 0.58 4.41 -0.65 2.72 -0.14 0.79 -2.27 119.74 125.19 1kmm s LYS 400 Ca 0.12 1.25 -0.18 0.00 -1.36 0.00 0.00 55.97 55.80 1kmm s LYS 400 Cb -0.21 -3.53 0.12 0.00 -1.68 0.00 0.00 37.83 32.53 1kmm s LYS 400 CO -0.04 -0.24 0.74 0.34 -0.76 0.00 0.00 175.35 175.40 1kmm s ASP 401 N 1.07 6.29 0.41 2.83 -1.08 -0.13 -0.26 116.67 125.81 1kmm s ASP 401 Ca 0.45 -1.66 0.17 0.00 -0.52 0.00 0.00 52.55 50.99 1kmm s ASP 401 Cb -0.18 -2.30 1.07 0.00 -1.46 0.00 0.00 42.92 40.05 1kmm s ASP 401 CO 0.18 -1.04 1.85 -0.07 0.52 0.00 0.00 175.17 176.61 1kmm h LEU 402 N 9.71 0.43 -0.33 -1.34 3.38 -1.50 0.82 115.31 126.48 1kmm h LEU 402 Ca -0.20 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1kmm h LEU 402 Cb 1.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1kmm h LEU 402 CO 1.06 0.17 0.00 0.08 0.09 0.00 0.00 178.44 179.84 1kmm h ARG 403 N 0.42 0.00 0.00 1.13 -0.00 -1.90 -3.33 114.38 110.71 1kmm h ARG 403 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.46 1kmm h ARG 403 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 1kmm h ARG 403 CO -0.19 0.00 0.00 -1.13 -0.00 0.00 0.00 179.97 178.65 1kmm n SER 404 N -2.90 0.02 0.00 0.08 3.41 -0.76 -5.01 113.62 108.45 1kmm n SER 404 Ca 0.04 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 1kmm n SER 404 Cb 0.45 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1kmm n SER 404 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kmm n GLY 405 N 0.67 2.98 3.70 5.00 0.00 0.28 -4.99 105.19 112.84 1kmm n GLY 405 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1kmm n GLY 405 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kmm s GLU 406 N -0.02 4.27 0.10 1.61 2.02 -1.25 -4.63 118.70 120.80 1kmm s GLU 406 Ca 0.00 2.15 0.06 0.00 0.02 0.00 0.00 54.97 57.21 1kmm s GLU 406 Cb 0.00 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1kmm s GLU 406 CO 0.00 -0.56 -0.16 1.14 0.02 0.00 0.00 175.26 175.70 1kmm s GLN 407 N 1.72 0.98 -0.08 1.61 -2.07 -1.26 -0.96 119.66 119.60 1kmm s GLN 407 Ca 0.67 -1.11 -0.07 0.00 -1.82 0.00 0.00 55.36 53.04 1kmm s GLN 407 Cb -0.37 -1.05 0.02 0.00 -1.09 0.00 0.00 33.01 30.52 1kmm s GLN 407 CO 0.30 0.23 0.22 0.95 -1.32 0.00 0.00 175.29 175.67 1kmm s THR 408 N -1.47 -0.01 0.15 3.63 -4.23 -0.96 -4.94 115.64 107.81 1kmm s THR 408 Ca 0.04 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.27 1kmm s THR 408 Cb -0.09 -0.31 -0.07 0.00 1.34 0.00 0.00 72.50 73.37 1kmm s THR 408 CO 0.03 0.01 0.97 0.00 -0.54 0.00 0.00 174.62 175.09 1kmm s ALA 409 N 0.29 3.28 0.02 3.99 0.00 -1.26 -0.80 121.76 127.27 1kmm s ALA 409 Ca -0.01 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.57 1kmm s ALA 409 Cb -0.03 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1kmm s ALA 409 CO -0.01 0.01 -0.06 0.08 0.00 0.00 0.00 175.76 175.78 1kmm s VAL 410 N -0.29 0.42 0.79 0.00 1.01 0.13 -4.95 120.40 117.51 1kmm s VAL 410 Ca 0.46 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1kmm s VAL 410 Cb -0.24 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 35.75 1kmm s VAL 410 CO 0.31 -0.19 1.11 0.00 0.00 0.00 0.00 175.10 176.32 1kmm n ALA 411 N 2.11 -0.19 0.22 5.51 0.00 -1.26 -1.58 120.51 125.32 1kmm n ALA 411 Ca -0.19 -0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.04 1kmm n ALA 411 Cb 0.56 -2.19 0.43 0.00 0.00 0.00 0.00 19.45 18.25 1kmm n ALA 411 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1kmm h GLN 412 N -0.75 0.00 0.00 0.00 4.20 -1.73 -2.73 115.11 114.10 1kmm h GLN 412 Ca -0.46 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.21 1kmm h GLN 412 Cb 1.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1kmm h GLN 412 CO 0.46 0.24 -0.18 -0.44 -0.67 0.00 0.00 178.83 178.24 1kmm h ASP 413 N 0.00 0.00 -0.17 1.46 5.19 -1.89 -2.87 116.42 118.14 1kmm h ASP 413 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kmm h ASP 413 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1kmm h ASP 413 CO 0.03 0.18 0.00 -1.20 -3.12 0.00 0.00 179.24 175.13 1kmm n SER 414 N -3.51 2.84 -0.07 6.45 7.64 -1.04 -4.60 113.62 121.33 1kmm n SER 414 Ca -0.01 -1.85 -0.11 0.00 1.01 0.00 0.00 58.87 57.92 1kmm n SER 414 Cb 0.34 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 1kmm n SER 414 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1kmm h VAL 415 N 3.69 1.18 -0.43 0.44 2.07 -1.34 -2.38 116.25 119.47 1kmm h VAL 415 Ca 0.00 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1kmm h VAL 415 Cb 0.82 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 1kmm h VAL 415 CO 0.00 0.18 -0.13 0.00 0.02 0.00 0.00 177.57 177.65 1kmm h ALA 416 N 0.92 0.26 -0.05 1.67 0.00 -1.81 0.30 119.26 120.55 1kmm h ALA 416 Ca 0.07 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1kmm h ALA 416 Cb 0.21 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1kmm h ALA 416 CO -0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 179.25 178.63 1kmm h ALA 417 N 1.39 1.67 -0.26 0.00 0.00 -1.84 -1.46 119.26 118.77 1kmm h ALA 417 Ca 0.21 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1kmm h ALA 417 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1kmm h ALA 417 CO -0.46 0.25 -0.16 1.25 0.00 0.00 0.00 179.25 180.12 1kmm h HIS 418 N 0.07 0.66 -0.47 0.00 6.17 0.06 -2.98 115.15 118.66 1kmm h HIS 418 Ca 0.01 -0.18 -0.07 0.00 0.71 0.00 0.00 60.37 60.84 1kmm h HIS 418 Cb 0.31 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.07 1kmm h HIS 418 CO 0.00 0.84 0.00 -0.07 0.71 0.00 0.00 177.93 179.42 1kmm h LEU 419 N 0.29 0.80 -0.70 0.26 3.38 -0.74 -2.32 115.31 116.28 1kmm h LEU 419 Ca 0.05 -0.30 0.14 0.00 0.09 0.00 0.00 57.88 57.86 1kmm h LEU 419 Cb 0.69 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1kmm h LEU 419 CO 0.05 0.91 0.19 -0.09 0.09 0.00 0.00 178.44 179.59 1kmm h ARG 420 N 0.67 0.30 0.24 1.13 2.43 -1.25 0.44 114.38 118.34 1kmm h ARG 420 Ca 0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1kmm h ARG 420 Cb 0.50 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1kmm h ARG 420 CO 0.02 0.20 -0.12 1.15 -1.51 0.00 0.00 179.97 179.71 1kmm h THR 421 N 0.31 0.81 -0.95 0.20 2.02 -1.36 -2.02 112.91 111.92 1kmm h THR 421 Ca 0.39 -0.40 0.16 0.00 0.77 0.00 0.00 66.41 67.32 1kmm h THR 421 Cb 0.62 1.05 -0.08 0.00 -1.74 0.00 0.00 68.15 68.00 1kmm h THR 421 CO -0.46 0.09 0.60 -0.07 0.37 0.00 0.00 175.52 176.05 1kmm h LEU 422 N -0.53 0.74 0.00 2.58 3.38 -0.50 -2.45 115.31 118.52 1kmm h LEU 422 Ca -0.03 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1kmm h LEU 422 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1kmm h LEU 422 CO 0.05 0.34 -0.65 -0.07 0.09 0.00 0.00 178.44 178.21 1kmm h LEU 423 N 0.76 0.00 0.00 1.67 3.38 -0.88 -3.51 115.31 116.74 1kmm h LEU 423 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1kmm h LEU 423 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1kmm h LEU 423 CO -0.26 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.17