#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1b h TRP 44 N 0.00 0.00 -0.64 -1.55 5.08 -2.05 -2.51 115.95 114.28 1p1b h TRP 44 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1p1b h TRP 44 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1p1b h TRP 44 CO 0.00 0.00 0.00 -0.85 -1.28 0.00 0.00 178.44 176.31 1p1b n GLU 45 N -2.79 2.87 -0.13 0.12 0.00 -1.26 -4.50 120.64 114.95 1p1b n GLU 45 Ca -0.01 -2.46 -0.04 0.00 0.00 0.00 0.00 57.16 54.65 1p1b n GLU 45 Cb 0.15 -1.63 0.03 0.00 0.00 0.00 0.00 31.44 29.99 1p1b n GLU 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1p1b h THR 46 N 3.83 0.59 -0.93 3.84 2.02 -1.88 0.33 112.91 120.71 1p1b h THR 46 Ca 0.00 -0.01 0.14 0.00 0.77 0.00 0.00 66.41 67.31 1p1b h THR 46 Cb 1.05 0.56 -0.08 0.00 -1.74 0.00 0.00 68.15 67.94 1p1b h THR 46 CO 0.07 0.01 0.59 -0.65 0.37 0.00 0.00 175.52 175.91 1p1b h PRO 47 N 0.03 0.75 -0.13 6.66 0.11 -1.85 0.08 132.00 137.66 1p1b h PRO 47 Ca 0.21 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.06 1p1b h PRO 47 Cb 0.32 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.27 1p1b h PRO 47 CO -0.43 0.49 -0.78 -0.92 -0.21 0.00 0.00 178.00 176.16 1p1b h TYR 48 N 0.77 0.93 -0.42 0.65 5.03 -1.53 -2.06 116.97 120.34 1p1b h TYR 48 Ca 0.47 -0.41 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1p1b h TYR 48 Cb 0.68 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.80 1p1b h TYR 48 CO -0.00 1.23 0.20 0.52 -1.32 0.00 0.00 178.16 178.78 1p1b h MET 49 N 0.46 0.58 -0.04 1.82 2.86 0.18 -1.97 114.93 118.82 1p1b h MET 49 Ca -0.05 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.33 1p1b h MET 49 Cb 1.40 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1p1b h MET 49 CO 0.15 0.46 -0.79 0.45 1.06 0.00 0.00 176.91 178.24 1p1b h HIS 50 N 0.58 0.47 -0.47 -0.22 3.86 -0.85 -2.28 115.15 116.24 1p1b h HIS 50 Ca 0.15 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 1p1b h HIS 50 Cb 0.07 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1p1b h HIS 50 CO 0.00 1.00 0.09 1.03 0.86 0.00 0.00 177.93 180.91 1p1b h SER 51 N 0.22 0.74 -0.61 2.45 0.87 -0.72 0.23 113.55 116.72 1p1b h SER 51 Ca -0.04 -0.25 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1p1b h SER 51 Cb 1.39 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 1p1b h SER 51 CO 0.13 0.80 0.09 -0.07 -0.53 0.00 0.00 176.83 177.25 1p1b h LEU 52 N 0.65 1.00 -0.17 2.23 3.38 -1.37 -1.62 115.31 119.40 1p1b h LEU 52 Ca 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1p1b h LEU 52 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1p1b h LEU 52 CO 0.01 1.00 0.02 0.00 0.09 0.00 0.00 178.44 179.56 1p1b h ALA 53 N 1.12 0.23 -0.85 1.53 0.00 -1.06 -1.34 119.26 118.89 1p1b h ALA 53 Ca 0.19 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1p1b h ALA 53 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1p1b h ALA 53 CO 0.01 -0.10 0.56 0.00 0.00 0.00 0.00 179.25 179.73 1p1b h ALA 54 N 0.81 1.43 -0.36 0.00 0.00 -0.43 -1.21 119.26 119.51 1p1b h ALA 54 Ca 0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1p1b h ALA 54 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1p1b h ALA 54 CO 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 179.25 179.64 1p1b h ALA 55 N 1.49 0.50 0.00 0.00 0.00 -1.09 0.23 119.26 120.39 1p1b h ALA 55 Ca 0.32 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1p1b h ALA 55 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1p1b h ALA 55 CO -0.08 0.39 -0.29 0.00 0.00 0.00 0.00 179.25 179.26 1p1b h ALA 56 N 0.81 1.08 -0.15 0.00 0.00 -0.80 -2.71 119.26 117.49 1p1b h ALA 56 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1p1b h ALA 56 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1p1b h ALA 56 CO 0.04 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1p1b n ALA 57 N -2.29 2.47 0.07 0.00 0.00 -0.50 -4.23 120.51 116.04 1p1b n ALA 57 Ca -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 53.44 52.70 1p1b n ALA 57 Cb 0.43 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 19.02 1p1b n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1p1b n SER 58 N 1.16 0.00 0.00 0.00 3.41 0.05 -1.13 113.62 117.12 1p1b n SER 58 Ca 0.17 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1p1b n SER 58 Cb 0.55 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1p1b n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p1b n ARG 59 N -1.29 -0.03 0.00 4.33 5.12 -1.26 -5.10 116.66 118.43 1p1b n ARG 59 Ca 0.01 -0.62 0.00 0.00 -1.93 0.00 0.00 57.85 55.31 1p1b n ARG 59 Cb 0.01 -0.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 1p1b n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p1b n GLY 60 N -0.10 0.97 7.00 -0.13 0.00 -0.28 -4.91 105.19 107.74 1p1b n GLY 60 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1p1b n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p1b n GLY 61 N 0.00 1.67 3.68 -0.02 0.00 -1.26 -4.64 105.19 104.61 1p1b n GLY 61 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1p1b n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p1b s ARG 62 N 0.00 4.17 -0.13 1.61 3.52 -1.26 0.53 118.95 127.38 1p1b s ARG 62 Ca 0.00 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.72 1p1b s ARG 62 Cb 0.00 -3.52 -0.00 0.00 -1.56 0.00 0.00 34.95 29.86 1p1b s ARG 62 CO 0.00 0.01 -0.18 0.08 -0.81 0.00 0.00 175.30 174.40 1p1b s VAL 63 N 1.16 2.52 -0.23 7.11 1.01 0.10 -0.47 120.40 131.61 1p1b s VAL 63 Ca 0.17 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1p1b s VAL 63 Cb -0.14 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1p1b s VAL 63 CO 0.07 0.53 0.09 -0.22 0.00 0.00 0.00 175.10 175.58 1p1b s LEU 64 N 0.57 3.71 -0.12 3.92 2.96 -0.13 -0.60 118.68 128.98 1p1b s LEU 64 Ca -0.11 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1p1b s LEU 64 Cb -0.16 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.55 1p1b s LEU 64 CO 0.04 0.04 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.18 1p1b s GLU 65 N 1.19 2.96 -0.38 1.98 2.12 0.64 -0.04 118.70 127.17 1p1b s GLU 65 Ca 0.05 -0.84 -0.15 0.00 0.36 0.00 0.00 54.97 54.40 1p1b s GLU 65 Cb -0.14 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1p1b s GLU 65 CO 0.04 0.07 0.31 0.08 -0.54 0.00 0.00 175.26 175.22 1p1b s VAL 66 N 0.60 5.23 0.00 3.70 1.01 -0.45 -1.09 120.40 129.40 1p1b s VAL 66 Ca -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1p1b s VAL 66 Cb -0.17 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1p1b s VAL 66 CO 0.03 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1p1b n GLY 67 N 5.11 -0.43 0.09 4.51 0.00 0.17 -4.22 105.19 110.43 1p1b n GLY 67 Ca -0.11 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 1p1b n GLY 67 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p1b h PHE 68 N 0.00 0.17 0.00 1.61 -0.00 -1.89 -3.47 116.94 113.35 1p1b h PHE 68 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 57.97 57.85 1p1b h PHE 68 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 35.94 1p1b h PHE 68 CO 0.00 1.26 0.00 0.41 -0.00 0.00 0.00 178.31 179.98 1p1b n GLY 69 N 1.60 3.41 1.15 2.40 0.00 -1.26 -2.13 105.19 110.36 1p1b n GLY 69 Ca -0.18 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.82 1p1b n GLY 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p1b n MET 70 N 13.80 2.46 -1.34 1.61 0.00 -1.26 -4.95 117.12 127.44 1p1b n MET 70 Ca 0.00 -2.26 -0.12 0.00 0.00 0.00 0.00 57.70 55.33 1p1b n MET 70 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.67 1p1b n MET 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1p1b n ALA 71 N 1.37 -0.18 0.04 3.04 0.00 -0.91 -4.91 120.51 118.97 1p1b n ALA 71 Ca 0.21 0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.71 1p1b n ALA 71 Cb 0.55 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 1p1b n ALA 71 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1p1b h ILE 72 N 0.00 1.05 0.01 0.00 1.08 -1.93 -1.27 117.51 116.45 1p1b h ILE 72 Ca -0.24 -0.22 -0.15 0.00 -0.39 0.00 0.00 64.86 63.85 1p1b h ILE 72 Cb 0.86 1.20 0.01 0.00 -3.07 0.00 0.00 36.82 35.82 1p1b h ILE 72 CO 0.35 0.06 -0.61 0.00 -0.69 0.00 0.00 178.15 177.26 1p1b h ALA 73 N 0.84 0.06 -0.17 1.87 0.00 -1.91 -3.22 119.26 116.73 1p1b h ALA 73 Ca -0.00 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.38 1p1b h ALA 73 Cb 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1p1b h ALA 73 CO 0.01 0.35 0.15 0.00 0.00 0.00 0.00 179.25 179.75 1p1b h ALA 74 N 0.30 1.99 0.03 0.00 0.00 -1.87 -0.57 119.26 119.13 1p1b h ALA 74 Ca -0.08 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 1p1b h ALA 74 Cb 1.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1p1b h ALA 74 CO 0.12 -0.24 -1.03 0.77 0.00 0.00 0.00 179.25 178.87 1p1b h SER 75 N 0.00 0.14 -0.14 0.00 0.02 -1.27 -2.26 113.55 110.03 1p1b h SER 75 Ca 0.08 -0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.68 1p1b h SER 75 Cb 0.37 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1p1b h SER 75 CO -0.00 1.08 -0.73 -0.09 -1.14 0.00 0.00 176.83 175.95 1p1b h ARG 76 N 0.03 0.78 -0.23 3.45 9.65 -1.25 -2.96 114.38 123.85 1p1b h ARG 76 Ca -0.05 -0.60 0.01 0.00 -1.10 0.00 0.00 59.98 58.24 1p1b h ARG 76 Cb 1.76 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 30.44 1p1b h ARG 76 CO 0.15 1.22 0.12 0.28 2.80 0.00 0.00 179.97 184.54 1p1b h VAL 77 N 0.54 1.01 0.00 0.20 2.07 -1.17 -1.43 116.25 117.47 1p1b h VAL 77 Ca -0.04 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1p1b h VAL 77 Cb 1.35 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1p1b h VAL 77 CO 0.15 0.05 0.02 1.56 0.02 0.00 0.00 177.57 179.36 1p1b h GLN 78 N 0.26 0.00 -1.15 1.57 1.08 -1.34 -2.03 115.11 113.50 1p1b h GLN 78 Ca 0.09 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.61 1p1b h GLN 78 Cb 0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.15 1p1b h GLN 78 CO -0.06 0.00 0.83 0.00 -0.95 0.00 0.00 178.83 178.66 1p1b n GLN 79 N -3.00 2.74 -4.26 1.46 10.64 -0.54 -4.73 117.38 119.68 1p1b n GLN 79 Ca -0.03 -3.37 -0.17 0.00 -1.83 0.00 0.00 57.00 51.60 1p1b n GLN 79 Cb 0.08 -2.29 -0.11 0.00 -0.86 0.00 0.00 30.24 27.07 1p1b n GLN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1p1b s ALA 80 N -3.86 1.56 -0.17 2.61 0.00 -0.77 -5.01 121.76 116.13 1p1b s ALA 80 Ca 0.62 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1p1b s ALA 80 Cb 0.49 -0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.50 1p1b s ALA 80 CO -0.07 0.04 1.61 -2.30 0.00 0.00 0.00 175.76 175.04 1p1b n PRO 81 N 0.20 0.86 -2.12 0.00 -0.02 -1.26 -4.83 135.00 127.82 1p1b n PRO 81 Ca -0.13 -0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 60.48 1p1b n PRO 81 Cb 0.58 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1p1b n PRO 81 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1p1b s ILE 82 N 2.82 4.75 -0.05 4.25 1.10 -1.26 -4.20 121.20 128.61 1p1b s ILE 82 Ca 0.23 0.72 -0.05 0.00 -0.51 0.00 0.00 60.65 61.04 1p1b s ILE 82 Cb 0.10 -3.86 -0.02 0.00 0.15 0.00 0.00 42.46 38.83 1p1b s ILE 82 CO -0.01 -1.03 -0.09 1.17 -2.11 0.00 0.00 174.94 172.87 1p1b n LYS 83 N -2.52 0.15 -4.39 3.50 4.81 0.19 -4.75 118.16 115.15 1p1b n LYS 83 Ca 0.05 0.10 -0.23 0.00 -0.87 0.00 0.00 58.31 57.35 1p1b n LYS 83 Cb 0.54 -0.80 -0.13 0.00 0.02 0.00 0.00 35.03 34.66 1p1b n LYS 83 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1p1b s GLU 84 N -1.53 1.14 -0.36 1.64 2.02 -0.60 -3.83 118.70 117.17 1p1b s GLU 84 Ca -0.08 -1.01 0.03 0.00 0.02 0.00 0.00 54.97 53.93 1p1b s GLU 84 Cb 0.01 -1.29 0.11 0.00 0.10 0.00 0.00 34.13 33.05 1p1b s GLU 84 CO 0.12 0.31 0.10 -1.58 0.02 0.00 0.00 175.26 174.23 1p1b s HIS 85 N -1.02 3.23 -0.24 1.61 2.46 0.21 -0.72 115.29 120.81 1p1b s HIS 85 Ca 0.05 -2.78 -0.17 0.00 0.47 0.00 0.00 55.06 52.63 1p1b s HIS 85 Cb -0.09 -2.65 -0.03 0.00 -0.13 0.00 0.00 32.58 29.68 1p1b s HIS 85 CO 0.03 -0.90 0.46 -1.58 -2.47 0.00 0.00 174.74 170.28 1p1b s TRP 86 N 0.84 3.30 -0.08 3.88 0.52 0.23 0.21 118.94 127.83 1p1b s TRP 86 Ca 0.12 0.60 0.01 0.00 0.02 0.00 0.00 56.10 56.85 1p1b s TRP 86 Cb -0.20 -2.64 0.02 0.00 -1.15 0.00 0.00 33.47 29.50 1p1b s TRP 86 CO -0.10 -0.19 -0.08 -1.50 0.02 0.00 0.00 176.95 175.10 1p1b s ILE 87 N 1.98 0.95 0.06 2.03 1.10 -1.04 -0.26 121.20 126.01 1p1b s ILE 87 Ca 0.20 -0.31 -0.19 0.00 -0.51 0.00 0.00 60.65 59.84 1p1b s ILE 87 Cb -0.15 -0.93 -0.06 0.00 0.15 0.00 0.00 42.46 41.46 1p1b s ILE 87 CO 0.09 0.33 0.54 -0.63 -2.11 0.00 0.00 174.94 173.17 1p1b s ILE 88 N 1.20 4.80 -0.17 2.00 1.01 -0.25 -1.92 121.20 127.87 1p1b s ILE 88 Ca -0.05 1.16 -0.14 0.00 0.00 0.00 0.00 60.65 61.62 1p1b s ILE 88 Cb -0.14 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.51 1p1b s ILE 88 CO -0.02 0.55 0.44 -0.70 0.00 0.00 0.00 174.94 175.21 1p1b s GLU 89 N -1.04 0.49 -0.12 2.79 2.56 -0.71 0.46 118.70 123.14 1p1b s GLU 89 Ca 0.28 0.68 0.15 0.00 0.00 0.00 0.00 54.97 56.08 1p1b s GLU 89 Cb -0.19 0.18 -0.21 0.00 2.00 0.00 0.00 34.13 35.91 1p1b s GLU 89 CO 0.18 -0.09 0.14 0.00 -0.56 0.00 0.00 175.26 174.93 1p1b s ASN 91 N -4.67 6.99 0.25 0.00 3.84 -1.26 -4.57 114.94 115.51 1p1b s ASN 91 Ca -0.07 2.06 -0.05 0.00 0.21 0.00 0.00 52.86 55.01 1p1b s ASN 91 Cb 0.06 -2.57 0.28 0.00 -0.55 0.00 0.00 41.25 38.47 1p1b s ASN 91 CO 0.66 -0.56 1.83 0.44 -2.79 0.00 0.00 177.10 176.68 1p1b h ASP 92 N 7.07 0.99 -0.31 -4.21 3.32 -1.98 0.41 116.42 121.71 1p1b h ASP 92 Ca -0.40 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.43 1p1b h ASP 92 Cb 1.20 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1p1b h ASP 92 CO 0.85 0.86 -0.14 1.23 -1.72 0.00 0.00 179.24 180.32 1p1b h GLY 93 N 1.11 0.70 1.83 2.75 0.00 -2.01 -2.84 103.07 104.61 1p1b h GLY 93 Ca 0.25 -0.62 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 1p1b h GLY 93 CO -0.03 0.57 -0.78 -2.08 0.00 0.00 0.00 176.54 174.22 1p1b h VAL 94 N 0.40 1.48 0.00 4.60 2.07 -1.92 -3.08 116.25 119.80 1p1b h VAL 94 Ca 0.07 -2.46 -0.05 0.00 0.82 0.00 0.00 66.70 65.08 1p1b h VAL 94 Cb 0.67 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1p1b h VAL 94 CO 0.04 0.71 -0.23 0.15 0.02 0.00 0.00 177.57 178.27 1p1b h PHE 95 N 0.10 0.00 0.12 1.57 3.04 -0.12 0.15 116.94 121.79 1p1b h PHE 95 Ca -0.03 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.65 1p1b h PHE 95 Cb 1.37 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.89 1p1b h PHE 95 CO 0.02 0.23 -1.21 0.37 -2.02 0.00 0.00 178.31 175.70 1p1b h GLN 96 N 0.00 0.43 -0.47 1.11 4.15 -1.48 -0.36 115.11 118.49 1p1b h GLN 96 Ca -0.00 -0.62 -0.01 0.00 0.77 0.00 0.00 58.65 58.79 1p1b h GLN 96 Cb 0.58 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 1p1b h GLN 96 CO 0.03 1.27 0.26 0.00 -1.93 0.00 0.00 178.83 178.46 1p1b h ARG 97 N 0.17 0.65 0.12 1.69 3.08 -1.35 -2.12 114.38 116.62 1p1b h ARG 97 Ca -0.15 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1p1b h ARG 97 Cb 1.90 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.81 1p1b h ARG 97 CO 0.21 0.51 -0.10 1.25 -1.07 0.00 0.00 179.97 180.77 1p1b h LEU 98 N 0.61 -0.25 -0.84 3.04 5.85 -0.66 -1.38 115.31 121.68 1p1b h LEU 98 Ca 0.16 0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.09 1p1b h LEU 98 Cb 0.04 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.04 1p1b h LEU 98 CO -0.03 -0.15 0.34 1.56 -0.34 0.00 0.00 178.44 179.82 1p1b h GLN 99 N -0.23 0.40 -0.03 1.25 4.20 -0.68 0.14 115.11 120.17 1p1b h GLN 99 Ca -0.00 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.47 1p1b h GLN 99 Cb 0.21 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 27.91 1p1b h GLN 99 CO -0.01 0.26 -0.82 -0.91 -0.67 0.00 0.00 178.83 176.68 1p1b h ASN 100 N 0.41 0.77 -0.51 1.46 2.35 -1.24 -3.27 115.58 115.55 1p1b h ASN 100 Ca 0.50 -0.72 0.03 0.00 -0.55 0.00 0.00 56.30 55.55 1p1b h ASN 100 Cb 0.87 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.97 1p1b h ASN 100 CO -0.49 1.39 0.30 -0.25 -1.65 0.00 0.00 177.43 176.73 1p1b h TRP 101 N 0.22 0.56 -0.71 1.19 7.01 -0.44 -2.37 115.95 121.41 1p1b h TRP 101 Ca -0.09 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.08 1p1b h TRP 101 Cb 1.49 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 28.33 1p1b h TRP 101 CO 0.12 0.31 0.48 0.00 -2.79 0.00 0.00 178.44 176.56 1p1b h ALA 102 N 1.23 2.23 0.00 2.65 0.00 -0.81 -1.69 119.26 122.88 1p1b h ALA 102 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1p1b h ALA 102 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1p1b h ALA 102 CO -0.10 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.00 1p1b n LEU 103 N -4.45 0.00 0.00 0.00 7.99 -0.89 -3.13 117.00 116.52 1p1b n LEU 103 Ca 0.14 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.28 1p1b n LEU 103 Cb 0.57 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1p1b n LEU 103 CO 0.34 -0.05 0.30 2.29 -1.51 0.00 0.00 177.39 178.76 1p1b n LYS 104 N -1.15 0.82 -2.67 3.23 2.85 -0.64 -5.06 118.16 115.54 1p1b n LYS 104 Ca 0.13 -0.79 -0.35 0.00 -1.05 0.00 0.00 58.31 56.25 1p1b n LYS 104 Cb 0.12 -0.83 -0.05 0.00 -0.65 0.00 0.00 35.03 33.62 1p1b n LYS 104 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1p1b s GLN 105 N -0.37 4.15 0.00 -1.58 -1.52 -1.18 -4.96 119.66 114.19 1p1b s GLN 105 Ca 0.00 1.31 0.22 0.00 -1.95 0.00 0.00 55.36 54.95 1p1b s GLN 105 Cb 0.00 -2.33 1.06 0.00 -0.22 0.00 0.00 33.01 31.52 1p1b s GLN 105 CO 0.00 -0.12 1.73 -0.35 -0.25 0.00 0.00 175.29 176.29 1p1b n PRO 106 N -0.42 0.19 -3.80 2.91 -0.04 -1.26 -4.68 135.00 127.91 1p1b n PRO 106 Ca 0.06 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 1p1b n PRO 106 Cb 0.52 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.31 1p1b n PRO 106 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1p1b s HIS 107 N -2.74 0.55 -0.15 0.54 3.76 -1.26 -5.08 115.29 110.90 1p1b s HIS 107 Ca 0.17 -0.09 -0.12 0.00 -0.15 0.00 0.00 55.06 54.87 1p1b s HIS 107 Cb 0.15 -0.70 -0.05 0.00 1.11 0.00 0.00 32.58 33.08 1p1b s HIS 107 CO 0.37 -0.28 0.62 1.17 -0.85 0.00 0.00 174.74 175.77 1p1b n LYS 108 N 4.99 0.00 -3.84 1.40 4.81 -1.25 -4.36 118.16 119.91 1p1b n LYS 108 Ca -0.10 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.98 1p1b n LYS 108 Cb 0.50 -0.43 -0.06 0.00 0.02 0.00 0.00 35.03 35.06 1p1b n LYS 108 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1p1b s VAL 109 N 1.75 5.47 -0.47 3.15 1.01 -1.26 0.63 120.40 130.68 1p1b s VAL 109 Ca 0.34 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1p1b s VAL 109 Cb -0.42 -3.43 0.13 0.00 0.00 0.00 0.00 36.38 32.66 1p1b s VAL 109 CO 0.18 0.59 0.23 -0.69 0.00 0.00 0.00 175.10 175.42 1p1b s VAL 110 N -0.82 2.12 0.15 2.92 1.01 0.13 -4.90 120.40 121.02 1p1b s VAL 110 Ca 0.14 -2.94 -0.30 0.00 0.00 0.00 0.00 61.98 58.88 1p1b s VAL 110 Cb -0.12 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.69 1p1b s VAL 110 CO 0.04 -0.81 1.25 -2.84 0.00 0.00 0.00 175.10 172.74 1p1b s PRO 111 N 0.07 4.43 -0.28 2.72 0.02 -1.26 -2.49 135.00 138.20 1p1b s PRO 111 Ca 0.16 1.93 0.02 0.00 0.02 0.00 0.00 61.00 63.13 1p1b s PRO 111 Cb -0.25 -3.25 0.08 0.00 0.02 0.00 0.00 34.50 31.10 1p1b s PRO 111 CO -0.01 -0.22 -0.00 -0.51 -0.33 0.00 0.00 177.00 175.93 1p1b s LEU 112 N 0.25 3.22 0.13 -5.54 1.02 -0.81 -4.96 118.68 111.99 1p1b s LEU 112 Ca 0.57 -1.56 -0.30 0.00 0.02 0.00 0.00 54.13 52.86 1p1b s LEU 112 Cb -0.34 -1.28 -0.06 0.00 0.02 0.00 0.00 46.19 44.53 1p1b s LEU 112 CO 0.35 -0.30 1.06 -0.75 0.02 0.00 0.00 176.35 176.72 1p1b s LYS 113 N 1.27 4.61 0.00 1.70 2.47 -1.26 -1.73 119.74 126.79 1p1b s LYS 113 Ca 0.01 1.62 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 1p1b s LYS 113 Cb -0.19 -3.33 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 1p1b s LYS 113 CO -0.10 0.07 0.00 0.41 0.16 0.00 0.00 175.35 175.89 1p1b n GLY 114 N 2.32 1.39 3.78 5.54 0.00 0.31 -4.90 105.19 113.63 1p1b n GLY 114 Ca 0.04 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 1p1b n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1b s LEU 115 N 0.00 4.43 0.63 0.99 1.43 -1.26 -2.30 118.68 122.60 1p1b s LEU 115 Ca 0.00 1.79 0.36 0.00 -1.03 0.00 0.00 54.13 55.24 1p1b s LEU 115 Cb 0.00 -3.81 2.02 0.00 0.03 0.00 0.00 46.19 44.43 1p1b s LEU 115 CO 0.00 0.02 2.24 4.11 0.23 0.00 0.00 176.35 182.95 1p1b h TRP 116 N 3.50 0.00 -0.25 0.29 5.08 -1.94 0.16 115.95 122.79 1p1b h TRP 116 Ca -0.47 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.46 1p1b h TRP 116 Cb 1.19 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.34 1p1b h TRP 116 CO 0.62 0.00 -0.03 0.93 -1.28 0.00 0.00 178.44 178.68 1p1b h GLU 117 N 0.00 0.38 0.00 0.12 3.07 -2.00 -1.53 114.58 114.63 1p1b h GLU 117 Ca 0.02 -0.07 -0.35 0.00 -0.50 0.00 0.00 59.36 58.45 1p1b h GLU 117 Cb 0.17 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 27.95 1p1b h GLU 117 CO -0.00 0.43 -2.34 -0.85 -1.40 0.00 0.00 179.01 174.85 1p1b n GLU 118 N -4.31 0.70 -0.03 2.33 0.28 0.33 -4.46 120.64 115.48 1p1b n GLU 118 Ca 0.01 0.09 -0.14 0.00 -0.16 0.00 0.00 57.16 56.96 1p1b n GLU 118 Cb 0.23 -1.48 -0.10 0.00 1.43 0.00 0.00 31.44 31.51 1p1b n GLU 118 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1p1b h VAL 119 N 0.00 1.50 -0.76 3.84 2.07 -0.92 -3.33 116.25 118.65 1p1b h VAL 119 Ca -0.53 -1.61 0.15 0.00 0.82 0.00 0.00 66.70 65.53 1p1b h VAL 119 Cb 1.93 2.52 -0.10 0.00 -1.52 0.00 0.00 31.29 34.12 1p1b h VAL 119 CO -0.05 0.43 0.29 0.00 0.02 0.00 0.00 177.57 178.27 1p1b h ALA 120 N 0.36 1.07 0.00 1.67 0.00 -1.48 0.70 119.26 121.58 1p1b h ALA 120 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1p1b h ALA 120 Cb 0.76 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1p1b h ALA 120 CO 0.02 -0.23 0.18 -1.35 0.00 0.00 0.00 179.25 177.88 1p1b h PRO 121 N 0.43 0.00 -0.01 0.00 0.11 -1.75 1.00 132.00 131.78 1p1b h PRO 121 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1p1b h PRO 121 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1p1b h PRO 121 CO -0.42 0.00 -0.46 0.25 -0.21 0.00 0.00 178.00 177.17 1p1b n THR 122 N -2.40 0.00 -3.10 -1.15 -2.24 0.24 -4.91 114.28 100.72 1p1b n THR 122 Ca -0.02 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.25 1p1b n THR 122 Cb 0.22 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 1p1b n THR 122 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p1b s LEU 123 N -2.61 4.39 0.43 3.22 1.02 0.34 -5.06 118.68 120.42 1p1b s LEU 123 Ca 0.19 1.43 -0.21 0.00 0.02 0.00 0.00 54.13 55.56 1p1b s LEU 123 Cb 0.18 -3.49 -0.10 0.00 0.02 0.00 0.00 46.19 42.80 1p1b s LEU 123 CO 0.60 0.07 0.97 -2.16 0.02 0.00 0.00 176.35 175.86 1p1b s PRO 124 N -1.80 4.16 0.72 1.29 0.04 -1.26 -5.02 135.00 133.12 1p1b s PRO 124 Ca 0.41 1.21 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 1p1b s PRO 124 Cb -0.18 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1p1b s PRO 124 CO 0.22 -0.10 0.56 -0.25 0.04 0.00 0.00 177.00 177.46 1p1b n ASP 125 N -0.59 -1.09 -3.79 6.66 9.92 -1.26 -2.93 116.55 123.47 1p1b n ASP 125 Ca 0.07 0.60 -0.23 0.00 -0.53 0.00 0.00 54.79 54.70 1p1b n ASP 125 Cb 0.53 -1.23 -0.05 0.00 -0.64 0.00 0.00 41.12 39.73 1p1b n ASP 125 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1p1b n GLY 126 N 1.62 -0.17 0.02 0.44 0.00 0.60 -4.81 105.19 102.89 1p1b n GLY 126 Ca 0.10 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.37 1p1b n GLY 126 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1p1b n HIS 127 N -3.52 0.12 -4.54 1.61 -0.00 -0.22 -4.41 115.22 104.26 1p1b n HIS 127 Ca -0.20 0.03 -0.27 0.00 -0.00 0.00 0.00 57.72 57.29 1p1b n HIS 127 Cb 0.46 -0.31 -0.14 0.00 -0.00 0.00 0.00 29.99 30.00 1p1b n HIS 127 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1p1b s PHE 128 N -3.21 2.05 -0.30 1.57 0.08 -0.18 -4.79 117.98 113.21 1p1b s PHE 128 Ca 0.03 -0.40 0.22 0.00 0.12 0.00 0.00 56.93 56.90 1p1b s PHE 128 Cb 0.15 -1.17 0.12 0.00 -0.57 0.00 0.00 43.02 41.55 1p1b s PHE 128 CO 0.85 0.19 1.26 -0.44 -0.10 0.00 0.00 175.22 176.98 1p1b h ASP 129 N 4.39 0.00 -4.88 1.36 3.32 -1.03 -0.35 116.42 119.22 1p1b h ASP 129 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1p1b h ASP 129 Cb 1.16 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 1p1b h ASP 129 CO 0.41 0.06 0.16 -0.83 -1.72 0.00 0.00 179.24 177.32 1p1b s GLY 130 N -4.34 -0.55 -0.01 2.75 0.00 -1.15 -0.75 107.32 103.27 1p1b s GLY 130 Ca 0.02 1.35 0.04 0.00 0.00 0.00 0.00 44.72 46.14 1p1b s GLY 130 CO 0.74 1.01 -0.14 -0.42 0.00 0.00 0.00 173.10 174.30 1p1b s ILE 131 N -1.01 1.07 -0.16 0.90 1.01 0.18 -0.96 121.20 122.24 1p1b s ILE 131 Ca -0.10 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1p1b s ILE 131 Cb -0.01 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.61 1p1b s ILE 131 CO 0.09 0.30 -0.08 -0.22 0.00 0.00 0.00 174.94 175.02 1p1b s LEU 132 N -0.31 1.64 -0.37 2.97 2.96 0.94 -1.18 118.68 125.33 1p1b s LEU 132 Ca 0.05 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1p1b s LEU 132 Cb -0.05 -1.00 0.11 0.00 0.50 0.00 0.00 46.19 45.75 1p1b s LEU 132 CO -0.01 -0.14 0.12 -0.47 -1.32 0.00 0.00 176.35 174.53 1p1b s TYR 133 N 1.58 2.75 -0.93 5.38 6.04 -0.70 -1.34 117.35 130.12 1p1b s TYR 133 Ca 0.02 -2.52 -0.17 0.00 0.04 0.00 0.00 57.07 54.44 1p1b s TYR 133 Cb -0.14 -2.36 0.15 0.00 -1.04 0.00 0.00 41.96 38.57 1p1b s TYR 133 CO -0.08 -0.88 1.08 0.34 -1.54 0.00 0.00 175.55 174.47 1p1b s ASP 134 N 0.92 6.70 0.33 4.32 2.15 -1.26 -1.87 116.67 127.96 1p1b s ASP 134 Ca 0.12 -2.26 -0.28 0.00 0.43 0.00 0.00 52.55 50.56 1p1b s ASP 134 Cb -0.20 -2.36 -0.10 0.00 -0.30 0.00 0.00 42.92 39.96 1p1b s ASP 134 CO -0.12 -0.94 1.22 0.28 -0.17 0.00 0.00 175.17 175.44 1p1b s THR 135 N 2.09 3.03 -0.38 1.71 -1.32 -0.36 -4.96 115.64 115.45 1p1b s THR 135 Ca 0.31 1.01 0.03 0.00 -1.21 0.00 0.00 61.69 61.82 1p1b s THR 135 Cb -0.06 -3.63 0.11 0.00 -1.51 0.00 0.00 72.50 67.41 1p1b s THR 135 CO -0.09 0.22 0.12 -0.31 -2.21 0.00 0.00 174.62 172.35 1p1b s TYR 136 N -1.19 3.15 0.70 9.09 4.12 -1.26 -4.61 117.35 127.35 1p1b s TYR 136 Ca 0.49 -2.79 -0.16 0.00 0.02 0.00 0.00 57.07 54.63 1p1b s TYR 136 Cb -0.36 -2.62 0.01 0.00 -1.52 0.00 0.00 41.96 37.48 1p1b s TYR 136 CO 0.47 -0.88 1.18 -0.35 0.02 0.00 0.00 175.55 175.99 1p1b n PRO 137 N 4.03 0.74 -0.06 -1.71 -0.04 -1.26 -5.00 135.00 131.70 1p1b n PRO 137 Ca 0.04 0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.77 1p1b n PRO 137 Cb 0.39 -2.42 -0.01 0.00 -0.04 0.00 0.00 33.50 31.42 1p1b n PRO 137 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1p1b h LEU 138 N -0.00 0.00-10.43 1.53 3.38 -1.95 -3.49 115.31 104.34 1p1b h LEU 138 Ca -0.49 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.00 1p1b h LEU 138 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1p1b h LEU 138 CO 0.50 0.62 -0.24 -0.94 0.09 0.00 0.00 178.44 178.47 1p1b s SER 139 N -5.39 5.19 0.02 -0.43 1.04 -1.26 -5.02 113.70 107.85 1p1b s SER 139 Ca -0.11 -0.76 0.24 0.00 0.48 0.00 0.00 55.95 55.80 1p1b s SER 139 Cb 0.02 -0.16 0.26 0.00 0.10 0.00 0.00 66.02 66.23 1p1b s SER 139 CO 0.16 -0.98 1.23 -1.84 0.98 0.00 0.00 173.24 172.80 1p1b n GLU 140 N -1.90 0.09 -1.20 4.02 0.28 -1.26 -2.40 120.64 118.28 1p1b n GLU 140 Ca 0.08 0.01 -0.25 0.00 -0.16 0.00 0.00 57.16 56.83 1p1b n GLU 140 Cb 0.61 -1.54 0.15 0.00 1.43 0.00 0.00 31.44 32.09 1p1b n GLU 140 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1p1b n GLU 141 N -1.65 2.29 0.00 3.44 0.28 -1.26 -3.36 120.64 120.38 1p1b n GLU 141 Ca 0.04 -2.92 0.00 0.00 -0.16 0.00 0.00 57.16 54.13 1p1b n GLU 141 Cb 0.37 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.09 1p1b n GLU 141 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1p1b n THR 142 N -0.99 0.00 -0.28 3.84 5.66 -1.24 -5.00 114.28 116.26 1p1b n THR 142 Ca 0.58 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.55 1p1b n THR 142 Cb 1.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 1p1b n THR 142 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 1p1b n TRP 143 N 0.00 -0.07 1.22 1.09 -0.00 -1.01 -0.27 117.44 118.40 1p1b n TRP 143 Ca 0.00 0.89 0.12 0.00 -0.00 0.00 0.00 57.50 58.51 1p1b n TRP 143 Cb 0.02 -0.71 0.39 0.00 -0.00 0.00 0.00 31.31 31.01 1p1b n TRP 143 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1p1b n HIS 144 N -5.02 0.16 0.00 5.87 8.25 -1.26 -4.32 115.22 118.90 1p1b n HIS 144 Ca 0.06 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1p1b n HIS 144 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1p1b n HIS 144 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1p1b n THR 145 N 0.44 0.00 -0.29 1.59 -2.24 -0.44 -4.89 114.28 108.45 1p1b n THR 145 Ca 0.17 -0.19 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1p1b n THR 145 Cb 0.38 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 1p1b n THR 145 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1p1b h HIS 146 N 0.00 -1.44 -1.55 4.78 6.17 -0.82 -1.19 115.15 121.10 1p1b h HIS 146 Ca 0.00 0.10 0.47 0.00 0.71 0.00 0.00 60.37 61.65 1p1b h HIS 146 Cb 0.00 0.73 -0.09 0.00 2.52 0.00 0.00 27.41 30.57 1p1b h HIS 146 CO 0.00 -0.41 1.07 -0.56 0.71 0.00 0.00 177.93 178.74 1p1b h GLN 147 N -0.14 0.05 0.00 5.26 -0.00 -1.89 0.14 115.11 118.53 1p1b h GLN 147 Ca 0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 1p1b h GLN 147 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.00 1p1b h GLN 147 CO -0.81 0.03 0.00 1.19 -0.00 0.00 0.00 178.83 179.24 1p1b n PHE 148 N -4.29 0.00 0.11 0.06 0.99 -0.45 -2.57 117.46 111.31 1p1b n PHE 148 Ca 0.37 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.65 1p1b n PHE 148 Cb 1.61 -0.14 -0.14 0.00 -1.00 0.00 0.00 39.48 39.80 1p1b n PHE 148 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1p1b h ASN 149 N 0.00 0.48 0.16 4.37 2.35 -0.88 -2.38 115.58 119.67 1p1b h ASN 149 Ca 0.00 -0.51 -0.26 0.00 -0.55 0.00 0.00 56.30 54.98 1p1b h ASN 149 Cb 0.07 -0.15 0.02 0.00 0.05 0.00 0.00 38.32 38.30 1p1b h ASN 149 CO 0.00 1.40 -1.22 0.15 -1.65 0.00 0.00 177.43 176.11 1p1b h PHE 150 N 0.08 0.62 0.75 1.19 3.57 -1.69 -3.06 116.94 118.41 1p1b h PHE 150 Ca -0.15 -0.45 -0.04 0.00 3.53 0.00 0.00 57.97 60.86 1p1b h PHE 150 Cb 2.00 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 40.72 1p1b h PHE 150 CO 0.07 1.47 -0.36 0.82 -2.23 0.00 0.00 178.31 178.08 1p1b h ILE 151 N -0.20 0.26 -0.98 1.41 2.04 -1.61 0.81 117.51 119.24 1p1b h ILE 151 Ca -0.23 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.64 1p1b h ILE 151 Cb 1.83 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1p1b h ILE 151 CO 0.15 0.00 0.64 0.11 0.00 0.00 0.00 178.15 179.06 1p1b h LYS 152 N -1.02 1.22 0.16 2.37 1.57 -1.59 -2.29 116.57 116.99 1p1b h LYS 152 Ca -0.10 -0.07 -0.33 0.00 -1.87 0.00 0.00 60.65 58.27 1p1b h LYS 152 Cb 0.78 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1p1b h LYS 152 CO 0.17 0.81 -1.64 1.15 -0.57 0.00 0.00 179.45 179.36 1p1b h THR 153 N 1.26 1.05 0.00 -0.16 2.02 -1.42 -3.45 112.91 112.21 1p1b h THR 153 Ca 0.38 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1p1b h THR 153 Cb -0.04 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1p1b h THR 153 CO -0.11 0.84 -0.93 1.41 0.37 0.00 0.00 175.52 177.10 1p1b n HIS 154 N -3.54 0.00 -0.04 3.16 8.25 0.27 -4.74 115.22 118.58 1p1b n HIS 154 Ca -0.21 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.11 1p1b n HIS 154 Cb 1.07 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.08 1p1b n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p1b h ALA 155 N 0.00 -0.81 -0.40 -1.41 0.00 -0.72 0.26 119.26 116.18 1p1b h ALA 155 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1p1b h ALA 155 Cb 0.93 1.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 1p1b h ALA 155 CO 0.00 -1.05 0.01 0.35 0.00 0.00 0.00 179.25 178.56 1p1b h PHE 156 N -0.52 -0.00 -0.00 0.00 3.04 -1.83 -2.68 116.94 114.94 1p1b h PHE 156 Ca 0.05 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.89 1p1b h PHE 156 Cb 0.66 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 1p1b h PHE 156 CO -0.61 -0.07 -0.67 0.07 -2.02 0.00 0.00 178.31 175.01 1p1b h ARG 157 N 0.12 0.00 0.00 1.11 0.11 -1.80 -3.22 114.38 110.70 1p1b h ARG 157 Ca 0.20 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 1p1b h ARG 157 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1p1b h ARG 157 CO -0.32 0.68 0.00 1.28 0.10 0.00 0.00 179.97 181.71 1p1b n LEU 158 N -3.74 0.48 -4.80 0.08 4.77 0.06 0.22 117.00 114.08 1p1b n LEU 158 Ca -0.01 0.57 -0.39 0.00 -0.03 0.00 0.00 56.01 56.15 1p1b n LEU 158 Cb 0.66 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1p1b n LEU 158 CO 0.43 -0.23 0.35 -0.76 -1.33 0.00 0.00 177.39 175.85 1p1b s LEU 159 N -3.95 4.55 0.52 2.23 1.43 -1.05 -1.01 118.68 121.40 1p1b s LEU 159 Ca 0.10 1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 54.45 1p1b s LEU 159 Cb 0.13 -3.05 -0.07 0.00 0.03 0.00 0.00 46.19 43.22 1p1b s LEU 159 CO 0.49 0.24 0.98 -0.54 0.23 0.00 0.00 176.35 177.76 1p1b s LYS 160 N -1.09 3.90 0.28 1.70 1.02 -0.14 -4.11 119.74 121.29 1p1b s LYS 160 Ca 0.32 0.90 -0.30 0.00 0.02 0.00 0.00 55.97 56.91 1p1b s LYS 160 Cb -0.21 -2.14 -0.12 0.00 -0.52 0.00 0.00 37.83 34.84 1p1b s LYS 160 CO 0.22 -0.29 1.50 -2.30 -0.92 0.00 0.00 175.35 173.56 1p1b n PRO 161 N -1.70 2.44 -0.11 -1.68 -0.02 -1.26 0.48 135.00 133.15 1p1b n PRO 161 Ca 0.06 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1p1b n PRO 161 Cb 0.54 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1p1b n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p1b n GLY 162 N 1.94 1.73 3.73 -1.23 0.00 0.27 -4.99 105.19 106.66 1p1b n GLY 162 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1p1b n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p1b s GLY 163 N -1.94 2.20 -0.07 -0.02 0.00 0.18 -4.61 107.32 103.06 1p1b s GLY 163 Ca 0.00 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.50 1p1b s GLY 163 CO 0.00 1.14 -0.17 -1.50 0.00 0.00 0.00 173.10 172.56 1p1b s ILE 164 N -2.18 2.75 -0.18 0.90 2.07 0.07 -0.66 121.20 123.96 1p1b s ILE 164 Ca 0.71 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 1p1b s ILE 164 Cb -0.26 -2.07 0.01 0.00 0.13 0.00 0.00 42.46 40.27 1p1b s ILE 164 CO 0.46 0.57 -0.17 -0.22 -1.91 0.00 0.00 174.94 173.67 1p1b s LEU 165 N -0.35 2.27 0.06 8.50 2.96 0.35 -0.64 118.68 131.83 1p1b s LEU 165 Ca 0.03 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 53.43 1p1b s LEU 165 Cb -0.12 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1p1b s LEU 165 CO 0.02 0.01 -0.23 0.28 -1.32 0.00 0.00 176.35 175.12 1p1b s THR 166 N 1.24 1.85 0.39 3.68 -1.32 -0.33 -1.87 115.64 119.28 1p1b s THR 166 Ca 0.03 -1.35 -0.13 0.00 -1.21 0.00 0.00 61.69 59.03 1p1b s THR 166 Cb -0.14 -1.61 0.05 0.00 -1.51 0.00 0.00 72.50 69.29 1p1b s THR 166 CO -0.10 0.20 0.74 -0.72 -2.21 0.00 0.00 174.62 172.53 1p1b s TYR 167 N -0.88 0.32 -0.19 9.09 1.13 -1.26 -1.73 117.35 123.83 1p1b s TYR 167 Ca 0.09 -0.93 -0.30 0.00 -1.41 0.00 0.00 57.07 54.51 1p1b s TYR 167 Cb -0.09 0.69 0.14 0.00 -1.10 0.00 0.00 41.96 41.60 1p1b s TYR 167 CO 0.03 -1.53 1.12 0.00 -2.51 0.00 0.00 175.55 172.66 1p1b s ASN 169 N -1.35 2.17 0.19 0.00 3.84 -1.26 -1.22 114.94 117.31 1p1b s ASN 169 Ca 0.03 -3.14 -0.11 0.00 0.21 0.00 0.00 52.86 49.85 1p1b s ASN 169 Cb -0.01 -0.66 0.18 0.00 -0.55 0.00 0.00 41.25 40.21 1p1b s ASN 169 CO -0.03 -0.17 1.80 -0.07 -2.79 0.00 0.00 177.10 175.84 1p1b h LEU 170 N 5.71 0.47 -0.73 3.21 4.07 -1.98 -0.11 115.31 125.95 1p1b h LEU 170 Ca 0.23 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.19 1p1b h LEU 170 Cb 0.89 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 1p1b h LEU 170 CO 0.43 0.31 0.36 0.71 -1.08 0.00 0.00 178.44 179.17 1p1b h THR 171 N 0.60 1.24 -0.07 0.22 1.35 -1.91 0.35 112.91 114.69 1p1b h THR 171 Ca 0.26 -0.65 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1p1b h THR 171 Cb 0.14 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1p1b h THR 171 CO -0.16 0.27 -0.00 -1.28 -0.25 0.00 0.00 175.52 174.10 1p1b h SER 172 N 1.02 0.12 0.42 5.36 0.87 -1.79 -1.39 113.55 118.17 1p1b h SER 172 Ca 0.25 -0.31 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1p1b h SER 172 Cb 0.10 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1p1b h SER 172 CO -0.03 0.40 -0.14 -0.50 -0.53 0.00 0.00 176.83 176.03 1p1b h TRP 173 N -0.16 0.00 -0.00 2.24 6.55 -0.80 0.10 115.95 123.88 1p1b h TRP 173 Ca 0.02 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.69 1p1b h TRP 173 Cb 0.34 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.62 1p1b h TRP 173 CO 0.03 0.14 -0.81 0.78 -1.05 0.00 0.00 178.44 177.53 1p1b h GLY 174 N 0.99 0.03 0.43 1.49 0.00 0.03 -1.32 103.07 104.72 1p1b h GLY 174 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1p1b h GLY 174 CO 0.02 0.05 -0.20 -2.09 0.00 0.00 0.00 176.54 174.31 1p1b h GLU 175 N 0.02 -0.55 -0.96 4.80 4.81 -0.05 -3.02 114.58 119.63 1p1b h GLU 175 Ca -0.01 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.42 1p1b h GLU 175 Cb 1.42 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 30.84 1p1b h GLU 175 CO 0.11 -0.37 0.61 -0.07 -0.73 0.00 0.00 179.01 178.56 1p1b h LEU 176 N -1.06 0.73 -0.17 1.64 4.07 -1.10 0.17 115.31 119.58 1p1b h LEU 176 Ca -0.06 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1p1b h LEU 176 Cb 0.44 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1p1b h LEU 176 CO 0.10 0.33 -0.04 0.23 -1.08 0.00 0.00 178.44 177.97 1p1b n MET 177 N -4.63 0.79 -0.01 1.13 2.81 -0.50 -1.22 117.12 115.48 1p1b n MET 177 Ca 0.20 -0.17 -0.22 0.00 -1.81 0.00 0.00 57.70 55.70 1p1b n MET 177 Cb 0.51 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.39 1p1b n MET 177 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1p1b n LYS 178 N -0.95 0.73 0.00 0.03 4.81 0.03 -4.71 118.16 118.10 1p1b n LYS 178 Ca 0.17 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1p1b n LYS 178 Cb 0.23 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1p1b n LYS 178 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1p1b n SER 179 N -3.62 0.00 -0.26 3.14 3.41 -1.11 -4.90 113.62 110.29 1p1b n SER 179 Ca -0.32 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.34 1p1b n SER 179 Cb 1.00 -0.04 0.15 0.00 -0.26 0.00 0.00 64.21 65.06 1p1b n SER 179 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1p1b h LYS 180 N 0.00 0.10 -6.32 4.33 1.79 -1.77 -3.45 116.57 111.25 1p1b h LYS 180 Ca 0.00 -0.01 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1p1b h LYS 180 Cb 0.00 -0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 30.48 1p1b h LYS 180 CO 0.00 0.06 -0.76 0.71 -1.08 0.00 0.00 179.45 178.39 1p1b s TYR 181 N -6.12 2.38 0.00 -1.35 1.51 -0.36 -5.01 117.35 108.40 1p1b s TYR 181 Ca -0.13 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1p1b s TYR 181 Cb 0.22 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1p1b s TYR 181 CO 0.75 0.64 0.00 0.25 -1.11 0.00 0.00 175.55 176.08 1p1b n THR 182 N -0.39 0.00 -3.94 -0.71 -2.24 -1.26 -4.51 114.28 101.23 1p1b n THR 182 Ca -0.07 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.22 1p1b n THR 182 Cb 0.59 0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 69.29 1p1b n THR 182 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p1b s ASP 183 N -1.57 4.23 0.51 3.42 2.15 -1.26 -5.01 116.67 119.14 1p1b s ASP 183 Ca 0.00 -0.58 0.20 0.00 0.43 0.00 0.00 52.55 52.59 1p1b s ASP 183 Cb 0.00 -1.70 1.32 0.00 -0.30 0.00 0.00 42.92 42.24 1p1b s ASP 183 CO 0.00 -0.06 2.12 -0.29 -0.17 0.00 0.00 175.17 176.76 1p1b h ILE 184 N 5.87 0.90 0.00 4.11 2.10 -1.96 -2.18 117.51 126.34 1p1b h ILE 184 Ca -0.39 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.30 1p1b h ILE 184 Cb 1.14 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 1p1b h ILE 184 CO 0.60 0.07 -0.36 0.71 -1.08 0.00 0.00 178.15 178.09 1p1b h THR 185 N 0.00 0.00 -0.02 2.19 1.35 -1.99 -3.03 112.91 111.40 1p1b h THR 185 Ca -0.00 -0.87 -0.25 0.00 -0.55 0.00 0.00 66.41 64.74 1p1b h THR 185 Cb 0.14 1.68 0.02 0.00 -1.73 0.00 0.00 68.15 68.25 1p1b h THR 185 CO 0.01 0.00 -0.97 0.00 -0.25 0.00 0.00 175.52 174.31 1p1b h ALA 186 N 2.13 0.15 -0.24 6.62 0.00 -1.83 -2.33 119.26 123.76 1p1b h ALA 186 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1p1b h ALA 186 Cb 0.93 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1p1b h ALA 186 CO 0.00 0.66 -0.16 0.00 0.00 0.00 0.00 179.25 179.75 1p1b h MET 187 N 0.38 0.42 -0.23 0.00 -0.00 -1.53 -0.78 114.93 113.19 1p1b h MET 187 Ca -0.11 -0.12 -0.14 0.00 -0.00 0.00 0.00 59.70 59.32 1p1b h MET 187 Cb 1.62 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 33.17 1p1b h MET 187 CO 0.19 0.57 -0.44 0.35 -0.00 0.00 0.00 176.91 177.58 1p1b h PHE 188 N 0.38 0.70 -0.19 -0.10 3.04 -1.52 0.20 116.94 119.46 1p1b h PHE 188 Ca 0.07 -0.21 -0.03 0.00 3.98 0.00 0.00 57.97 61.78 1p1b h PHE 188 Cb 0.50 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1p1b h PHE 188 CO 0.01 0.92 0.02 1.49 -2.02 0.00 0.00 178.31 178.73 1p1b h GLU 189 N 0.47 0.32 -0.05 1.11 4.57 -0.82 0.64 114.58 120.81 1p1b h GLU 189 Ca 0.03 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1p1b h GLU 189 Cb 0.96 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1p1b h GLU 189 CO 0.09 0.50 -0.20 0.93 -1.18 0.00 0.00 179.01 179.15 1p1b h GLU 190 N 0.09 0.23 0.00 1.92 5.08 -1.07 -3.33 114.58 117.49 1p1b h GLU 190 Ca 0.05 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1p1b h GLU 190 Cb 0.35 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1p1b h GLU 190 CO 0.01 0.81 -1.59 0.25 -1.00 0.00 0.00 179.01 177.49 1p1b n THR 191 N -4.55 0.25 -0.07 1.13 -2.24 0.68 -4.67 114.28 104.81 1p1b n THR 191 Ca -0.08 -0.52 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 1p1b n THR 191 Cb 0.43 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1p1b n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p1b n GLN 192 N -2.43 0.34 -0.19 -0.78 1.13 0.12 -4.76 117.38 110.81 1p1b n GLN 192 Ca -0.02 0.15 -0.03 0.00 -1.94 0.00 0.00 57.00 55.15 1p1b n GLN 192 Cb 0.56 -1.07 0.04 0.00 0.11 0.00 0.00 30.24 29.87 1p1b n GLN 192 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1p1b h VAL 193 N -0.59 0.29 -0.90 5.09 2.07 -1.41 -2.24 116.25 118.56 1p1b h VAL 193 Ca -0.33 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.42 1p1b h VAL 193 Cb 1.21 0.29 -0.13 0.00 -1.52 0.00 0.00 31.29 31.14 1p1b h VAL 193 CO -0.20 0.00 0.38 -0.65 0.02 0.00 0.00 177.57 177.11 1p1b h PRO 194 N -0.09 0.34 0.01 1.57 0.11 -1.83 -0.28 132.00 131.82 1p1b h PRO 194 Ca 0.26 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.16 1p1b h PRO 194 Cb 0.50 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1p1b h PRO 194 CO -0.64 0.22 -0.90 0.00 -0.21 0.00 0.00 178.00 176.48 1p1b h ALA 195 N 1.74 0.52 -0.42 -0.75 0.00 -1.72 -2.02 119.26 116.61 1p1b h ALA 195 Ca 0.58 -0.80 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1p1b h ALA 195 Cb 1.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1p1b h ALA 195 CO -0.57 1.09 0.01 -0.07 0.00 0.00 0.00 179.25 179.71 1p1b h LEU 196 N 0.01 0.72 -0.37 0.00 4.07 -0.69 0.27 115.31 119.33 1p1b h LEU 196 Ca -0.02 -0.30 -0.06 0.00 0.08 0.00 0.00 57.88 57.58 1p1b h LEU 196 Cb 1.58 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.11 1p1b h LEU 196 CO 0.12 0.85 0.00 -0.07 -1.08 0.00 0.00 178.44 178.26 1p1b h LEU 197 N 0.58 0.63 -1.47 1.67 4.07 -1.14 -2.00 115.31 117.66 1p1b h LEU 197 Ca 0.12 -0.30 0.07 0.00 0.08 0.00 0.00 57.88 57.85 1p1b h LEU 197 Cb 0.47 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 1p1b h LEU 197 CO 0.02 0.78 0.44 -0.08 -1.08 0.00 0.00 178.44 178.52 1p1b h GLU 198 N 0.47 0.62 0.00 1.13 4.81 -1.10 0.34 114.58 120.84 1p1b h GLU 198 Ca 0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1p1b h GLU 198 Cb 0.46 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1p1b h GLU 198 CO 0.02 0.41 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1p1b n ALA 199 N -2.47 1.58 0.00 2.92 0.00 0.93 -4.85 120.51 118.63 1p1b n ALA 199 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1p1b n ALA 199 Cb 0.26 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1p1b n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1b n GLY 200 N -0.17 1.95 3.77 0.00 0.00 0.12 -4.76 105.19 106.09 1p1b n GLY 200 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1p1b n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p1b s PHE 201 N -1.88 2.15 0.02 1.61 0.40 -1.00 -4.98 117.98 114.31 1p1b s PHE 201 Ca 0.00 0.77 0.08 0.00 -0.60 0.00 0.00 56.93 57.18 1p1b s PHE 201 Cb 0.00 -3.45 -0.02 0.00 0.51 0.00 0.00 43.02 40.05 1p1b s PHE 201 CO 0.00 -2.63 -0.24 -0.65 0.70 0.00 0.00 175.22 172.40 1p1b s GLN 202 N -5.32 1.77 0.30 0.44 -1.52 -1.26 -4.27 119.66 109.80 1p1b s GLN 202 Ca 0.66 -0.98 0.14 0.00 -1.95 0.00 0.00 55.36 53.23 1p1b s GLN 202 Cb -0.14 -1.84 1.03 0.00 -0.22 0.00 0.00 33.01 31.84 1p1b s GLN 202 CO 0.54 0.49 1.34 -2.13 -0.25 0.00 0.00 175.29 175.27 1p1b n ARG 203 N 2.06 -0.05 0.29 2.91 3.00 -1.26 0.28 116.66 123.88 1p1b n ARG 203 Ca -0.16 1.19 0.19 0.00 -0.00 0.00 0.00 57.85 59.07 1p1b n ARG 203 Cb 0.52 -2.08 0.82 0.00 0.00 0.00 0.00 32.46 31.71 1p1b n ARG 203 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1p1b h GLU 204 N 0.00 0.00 0.00 -0.14 9.09 -2.00 -2.32 114.58 119.21 1p1b h GLU 204 Ca 0.67 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 60.06 1p1b h GLU 204 Cb 1.71 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.81 1p1b h GLU 204 CO -0.69 0.00 -0.09 -0.91 0.05 0.00 0.00 179.01 177.37 1p1b h ASN 205 N 0.00 0.00 -3.08 3.06 2.35 0.37 -3.45 115.58 114.83 1p1b h ASN 205 Ca 0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 1p1b h ASN 205 Cb 0.38 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.64 1p1b h ASN 205 CO 0.00 0.09 -0.51 0.27 -1.65 0.00 0.00 177.43 175.63 1p1b s ILE 206 N -3.21 5.27 0.22 2.81 -5.25 -0.88 -1.09 121.20 119.07 1p1b s ILE 206 Ca 0.06 0.13 0.00 0.00 -0.99 0.00 0.00 60.65 59.85 1p1b s ILE 206 Cb 0.06 -3.36 -0.05 0.00 2.95 0.00 0.00 42.46 42.06 1p1b s ILE 206 CO 0.67 0.51 0.10 0.00 -1.79 0.00 0.00 174.94 174.43 1p1b s THR 208 N -3.93 0.09 -0.17 0.00 -4.23 -1.26 -1.02 115.64 105.11 1p1b s THR 208 Ca 0.36 -0.72 -0.00 0.00 -1.18 0.00 0.00 61.69 60.14 1p1b s THR 208 Cb 0.07 -0.42 0.04 0.00 1.34 0.00 0.00 72.50 73.54 1p1b s THR 208 CO 0.11 -0.40 -0.06 -0.70 -0.54 0.00 0.00 174.62 173.03 1p1b s GLU 209 N -1.41 1.58 -0.13 3.99 2.12 -0.06 -4.94 118.70 119.86 1p1b s GLU 209 Ca -0.15 -0.60 -0.14 0.00 0.36 0.00 0.00 54.97 54.44 1p1b s GLU 209 Cb -0.08 -2.11 -0.05 0.00 0.26 0.00 0.00 34.13 32.15 1p1b s GLU 209 CO 0.01 -0.43 0.33 0.08 -0.54 0.00 0.00 175.26 174.71 1p1b s VAL 210 N 1.57 5.26 0.16 3.70 1.01 -1.26 0.14 120.40 130.99 1p1b s VAL 210 Ca 0.00 0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.70 1p1b s VAL 210 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1p1b s VAL 210 CO -0.08 0.42 -0.20 0.00 0.00 0.00 0.00 175.10 175.24 1p1b s MET 211 N 0.17 1.31 -0.12 2.72 0.23 0.18 -4.95 119.30 118.83 1p1b s MET 211 Ca 0.19 -1.39 -0.24 0.00 -1.03 0.00 0.00 55.69 53.22 1p1b s MET 211 Cb -0.14 -1.48 -0.03 0.00 -1.53 0.00 0.00 34.83 31.66 1p1b s MET 211 CO 0.06 0.31 0.77 0.00 -2.03 0.00 0.00 175.02 174.13 1p1b s ALA 212 N -1.77 3.42 -0.26 3.16 0.00 -1.26 -0.29 121.76 124.76 1p1b s ALA 212 Ca 0.15 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.12 1p1b s ALA 212 Cb -0.07 -3.10 0.12 0.00 0.00 0.00 0.00 23.12 20.07 1p1b s ALA 212 CO 0.07 -0.38 0.54 -1.17 0.00 0.00 0.00 175.76 174.81 1p1b s LEU 213 N 1.47 -0.94 -0.32 0.00 0.20 -0.20 -4.88 118.68 114.02 1p1b s LEU 213 Ca 0.38 1.19 -0.11 0.00 0.69 0.00 0.00 54.13 56.28 1p1b s LEU 213 Cb -0.17 1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 47.40 1p1b s LEU 213 CO 0.16 -0.23 0.20 -0.69 -0.29 0.00 0.00 176.35 175.50 1p1b s VAL 214 N 2.76 5.07 0.68 1.68 1.01 -1.26 -3.05 120.40 127.29 1p1b s VAL 214 Ca -0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1p1b s VAL 214 Cb -0.13 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1p1b s VAL 214 CO -0.16 0.07 1.13 -2.84 0.00 0.00 0.00 175.10 173.29 1p1b s PRO 215 N 1.70 2.66 0.82 2.72 0.02 -1.26 -5.00 135.00 136.66 1p1b s PRO 215 Ca 0.06 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.41 1p1b s PRO 215 Cb -0.17 -1.93 0.09 0.00 0.02 0.00 0.00 34.50 32.51 1p1b s PRO 215 CO 0.09 -1.37 1.15 -2.14 -0.33 0.00 0.00 177.00 174.40 1p1b s PRO 216 N -4.09 1.67 0.51 5.54 0.02 -1.26 -4.91 135.00 132.49 1p1b s PRO 216 Ca 0.68 1.51 0.19 0.00 0.02 0.00 0.00 61.00 63.40 1p1b s PRO 216 Cb -0.22 -1.80 1.26 0.00 0.02 0.00 0.00 34.50 33.76 1p1b s PRO 216 CO 0.42 -2.14 2.07 0.00 -0.33 0.00 0.00 177.00 177.03 1p1b h ALA 217 N -1.20 2.16 -0.56 -1.55 0.00 -1.98 -2.21 119.26 113.92 1p1b h ALA 217 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1p1b h ALA 217 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1p1b h ALA 217 CO 0.46 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 1p1b n ASP 218 N -4.47 3.54 -4.64 0.00 5.75 -1.26 -4.93 116.55 110.54 1p1b n ASP 218 Ca 0.03 -2.18 -0.42 0.00 -0.01 0.00 0.00 54.79 52.20 1p1b n ASP 218 Cb 0.30 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 1p1b n ASP 218 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1p1b h ARG 220 N 11.61 0.00 0.00 0.00 3.08 -1.91 -3.37 114.38 123.78 1p1b h ARG 220 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1p1b h ARG 220 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1p1b h ARG 220 CO 0.96 0.00 0.00 2.48 -1.07 0.00 0.00 179.97 182.34 1p1b n TYR 221 N -2.38 0.00 -3.70 3.04 4.11 -1.26 -5.03 117.16 111.94 1p1b n TYR 221 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.83 1p1b n TYR 221 Cb 0.44 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.66 1p1b n TYR 221 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1p1b s TYR 222 N -0.55 -0.42 0.00 -3.48 6.14 -1.26 -4.16 117.35 113.62 1p1b s TYR 222 Ca 0.00 0.94 0.00 0.00 0.64 0.00 0.00 57.07 58.65 1p1b s TYR 222 Cb 0.00 0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.46 1p1b s TYR 222 CO 0.00 -0.29 0.05 0.00 0.64 0.00 0.00 175.55 175.95 1p1b n ALA 223 N 4.54 1.48 -1.76 3.97 0.00 -1.26 -4.75 120.51 122.73 1p1b n ALA 223 Ca -0.20 -0.05 -0.40 0.00 0.00 0.00 0.00 53.44 52.79 1p1b n ALA 223 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1p1b n ALA 223 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1p1b s PHE 224 N -0.62 3.36 -2.00 0.00 5.36 -1.26 -4.84 117.98 117.97 1p1b s PHE 224 Ca 0.00 1.58 0.07 0.00 -0.96 0.00 0.00 56.93 57.62 1p1b s PHE 224 Cb 0.00 -3.44 0.41 0.00 -0.34 0.00 0.00 43.02 39.65 1p1b s PHE 224 CO 0.00 -1.08 1.08 -0.35 -1.46 0.00 0.00 175.22 173.40 1p1b n PRO 225 N 1.00 0.78 -3.77 10.12 -0.04 -1.26 -4.46 135.00 137.37 1p1b n PRO 225 Ca -0.01 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 1p1b n PRO 225 Cb 0.44 -1.14 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 1p1b n PRO 225 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1p1b s GLN 226 N -2.00 0.71 0.22 0.54 -2.07 -1.17 -1.03 119.66 114.86 1p1b s GLN 226 Ca 0.10 -0.34 0.08 0.00 -1.82 0.00 0.00 55.36 53.38 1p1b s GLN 226 Cb 0.05 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.23 1p1b s GLN 226 CO 0.08 -0.21 0.04 -1.64 -1.32 0.00 0.00 175.29 172.24 1p1b s MET 227 N -1.82 2.47 -0.05 9.60 -1.94 0.61 -4.86 119.30 123.30 1p1b s MET 227 Ca -0.10 -1.21 0.04 0.00 -1.71 0.00 0.00 55.69 52.71 1p1b s MET 227 Cb -0.04 -2.32 -0.00 0.00 2.01 0.00 0.00 34.83 34.48 1p1b s MET 227 CO 0.01 0.41 -0.17 -1.50 -0.01 0.00 0.00 175.02 173.76 1p1b s ILE 228 N -2.04 1.48 -0.23 2.53 2.07 -1.26 0.49 121.20 124.25 1p1b s ILE 228 Ca 0.30 -0.73 -0.01 0.00 -1.41 0.00 0.00 60.65 58.80 1p1b s ILE 228 Cb -0.08 -1.28 0.02 0.00 0.13 0.00 0.00 42.46 41.25 1p1b s ILE 228 CO 0.20 0.43 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.68 1p1b s THR 229 N 0.15 2.77 0.11 4.00 2.01 0.12 -4.93 115.64 119.87 1p1b s THR 229 Ca -0.07 -0.91 -0.27 0.00 0.31 0.00 0.00 61.69 60.75 1p1b s THR 229 Cb -0.13 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 1p1b s THR 229 CO 0.03 0.32 0.86 -2.16 -0.69 0.00 0.00 174.62 172.98 1p1b s PRO 230 N 1.34 4.62 -0.40 4.92 0.05 -1.26 -0.88 135.00 143.39 1p1b s PRO 230 Ca 0.02 1.26 0.03 0.00 0.05 0.00 0.00 61.00 62.37 1p1b s PRO 230 Cb -0.15 -3.34 0.11 0.00 0.05 0.00 0.00 34.50 31.16 1p1b s PRO 230 CO -0.06 0.32 0.14 -0.51 0.05 0.00 0.00 177.00 176.94 1p1b s LEU 231 N -0.31 4.09 -0.39 -3.56 1.43 -0.19 -4.26 118.68 115.49 1p1b s LEU 231 Ca 0.41 -2.40 -0.09 0.00 -1.03 0.00 0.00 54.13 51.02 1p1b s LEU 231 Cb -0.22 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.58 1p1b s LEU 231 CO 0.27 -0.33 0.22 -0.69 0.23 0.00 0.00 176.35 176.05 1p1b s VAL 232 N 0.58 4.29 0.01 -1.59 1.01 -0.78 -1.34 120.40 122.58 1p1b s VAL 232 Ca 0.13 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 1p1b s VAL 232 Cb -0.21 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1p1b s VAL 232 CO -0.07 -0.36 0.42 -0.89 0.00 0.00 0.00 175.10 174.20 1p1b s THR 233 N 1.47 5.01 0.03 3.92 2.01 -0.25 -0.50 115.64 127.34 1p1b s THR 233 Ca 0.02 0.85 -0.20 0.00 0.31 0.00 0.00 61.69 62.66 1p1b s THR 233 Cb -0.21 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 1p1b s THR 233 CO 0.04 0.57 0.59 -0.75 -0.69 0.00 0.00 174.62 174.37 1p1b s LYS 234 N -1.12 4.27 0.00 4.92 2.47 0.16 -4.72 119.74 125.73 1p1b s LYS 234 Ca 0.24 0.74 0.29 0.00 -1.56 0.00 0.00 55.97 55.69 1p1b s LYS 234 Cb -0.17 -3.30 1.76 0.00 -1.46 0.00 0.00 37.83 34.66 1p1b s LYS 234 CO 0.14 0.48 2.09 1.58 0.16 0.00 0.00 175.35 179.80