#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr2 s GLU 7 N 0.00 0.75 -0.34 -1.08 2.56 -1.26 -4.80 118.70 114.53 1mr2 s GLU 7 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 54.97 55.71 1mr2 s GLU 7 Cb 0.00 0.29 0.01 0.00 2.00 0.00 0.00 34.13 36.43 1mr2 s GLU 7 CO 0.00 -0.11 1.26 0.99 -0.56 0.00 0.00 175.26 176.84 1mr2 s THR 8 N 0.83 4.18 0.09 -1.70 2.01 -1.26 -0.68 115.64 119.10 1mr2 s THR 8 Ca -0.03 1.31 0.02 0.00 0.31 0.00 0.00 61.69 63.29 1mr2 s THR 8 Cb -0.05 -4.25 -0.24 0.00 0.01 0.00 0.00 72.50 67.96 1mr2 s THR 8 CO -0.07 -0.57 1.18 0.40 -0.69 0.00 0.00 174.62 174.87 1mr2 h ILE 9 N 6.02 1.58 -1.59 1.82 1.08 -1.07 -3.47 117.51 121.87 1mr2 h ILE 9 Ca -0.25 -3.23 0.09 0.00 -0.39 0.00 0.00 64.86 61.08 1mr2 h ILE 9 Cb 1.09 2.87 -0.26 0.00 -3.07 0.00 0.00 36.82 37.45 1mr2 h ILE 9 CO 1.05 0.92 0.39 -0.94 -0.69 0.00 0.00 178.15 178.88 1mr2 s SER 10 N -6.88 -0.52 -0.13 1.72 1.04 -1.25 -4.97 113.70 102.71 1mr2 s SER 10 Ca -0.02 0.88 -0.03 0.00 0.48 0.00 0.00 55.95 57.27 1mr2 s SER 10 Cb 0.09 1.09 -0.03 0.00 0.10 0.00 0.00 66.02 67.27 1mr2 s SER 10 CO 0.85 -0.14 -0.04 -0.44 0.98 0.00 0.00 173.24 174.44 1mr2 s SER 11 N 0.94 4.81 -0.11 7.02 0.01 -1.26 -2.05 113.70 123.05 1mr2 s SER 11 Ca -0.04 -0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 1mr2 s SER 11 Cb -0.04 -1.64 0.03 0.00 0.21 0.00 0.00 66.02 64.57 1mr2 s SER 11 CO -0.12 0.22 -0.07 -0.70 0.41 0.00 0.00 173.24 172.99 1mr2 s GLU 12 N 0.03 1.41 -0.33 12.44 2.12 0.00 -4.97 118.70 129.41 1mr2 s GLU 12 Ca 0.00 -0.21 -0.26 0.00 0.36 0.00 0.00 54.97 54.87 1mr2 s GLU 12 Cb -0.13 -1.51 0.01 0.00 0.26 0.00 0.00 34.13 32.75 1mr2 s GLU 12 CO 0.03 -0.27 0.92 0.99 -0.54 0.00 0.00 175.26 176.38 1mr2 s THR 13 N 1.74 4.65 -0.07 -1.70 2.01 -1.26 0.10 115.64 121.10 1mr2 s THR 13 Ca 0.05 1.37 -0.10 0.00 0.31 0.00 0.00 61.69 63.32 1mr2 s THR 13 Cb -0.12 -4.28 -0.29 0.00 0.01 0.00 0.00 72.50 67.81 1mr2 s THR 13 CO -0.08 -0.40 0.57 -0.07 -0.69 0.00 0.00 174.62 173.95 1mr2 h LEU 14 N 9.81 0.56 -7.07 4.42 4.07 -1.48 -3.49 115.31 122.13 1mr2 h LEU 14 Ca -0.23 -0.95 -0.05 0.00 0.08 0.00 0.00 57.88 56.73 1mr2 h LEU 14 Cb 1.08 -0.18 -0.22 0.00 1.08 0.00 0.00 40.66 42.42 1mr2 h LEU 14 CO 0.96 1.82 0.04 -2.28 -1.08 0.00 0.00 178.44 177.90 1mr2 s HIS 15 N -2.57 -0.73 -0.17 1.13 5.65 -1.09 -4.98 115.29 112.53 1mr2 s HIS 15 Ca -0.18 1.76 -0.00 0.00 0.25 0.00 0.00 55.06 56.89 1mr2 s HIS 15 Cb 0.06 0.26 0.00 0.00 -1.18 0.00 0.00 32.58 31.72 1mr2 s HIS 15 CO 0.83 -0.35 -0.14 0.99 -0.65 0.00 0.00 174.74 175.41 1mr2 s THR 16 N 0.42 2.70 0.00 0.89 2.01 -1.26 0.11 115.64 120.52 1mr2 s THR 16 Ca -0.01 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.25 1mr2 s THR 16 Cb -0.05 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1mr2 s THR 16 CO -0.00 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1mr2 n GLY 17 N 4.27 3.84 0.10 4.40 0.00 0.94 -4.99 105.19 113.76 1mr2 n GLY 17 Ca -0.19 -1.95 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 1mr2 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr2 h ALA 18 N -0.15 -0.04 -0.00 4.61 0.00 -2.01 -3.40 119.26 118.27 1mr2 h ALA 18 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1mr2 h ALA 18 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1mr2 h ALA 18 CO 0.00 0.26 -0.05 0.44 0.00 0.00 0.00 179.25 179.90 1mr2 n ILE 19 N -4.28 0.00 -3.78 0.00 -5.35 -1.26 -5.07 119.36 99.62 1mr2 n ILE 19 Ca -0.12 -0.48 -0.10 0.00 -0.27 0.00 0.00 62.75 61.79 1mr2 n ILE 19 Cb 0.70 1.03 -0.04 0.00 -1.74 0.00 0.00 39.64 39.59 1mr2 n ILE 19 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1mr2 s PHE 20 N -0.66 -0.02 0.03 4.28 -0.12 -1.26 -3.88 117.98 116.35 1mr2 s PHE 20 Ca 0.02 -0.33 0.05 0.00 -0.05 0.00 0.00 56.93 56.63 1mr2 s PHE 20 Cb 0.02 0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 42.70 1mr2 s PHE 20 CO 0.06 -0.88 -0.16 0.00 -0.05 0.00 0.00 175.22 174.19 1mr2 s ALA 21 N -3.89 1.35 -0.15 1.99 0.00 -0.61 -0.04 121.76 120.40 1mr2 s ALA 21 Ca 0.11 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 1mr2 s ALA 21 Cb -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1mr2 s ALA 21 CO -0.02 0.28 0.09 -1.17 0.00 0.00 0.00 175.76 174.94 1mr2 s LEU 22 N -1.02 4.02 0.02 0.00 2.96 0.31 0.00 118.68 124.96 1mr2 s LEU 22 Ca 0.04 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 1mr2 s LEU 22 Cb -0.08 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1mr2 s LEU 22 CO 0.01 0.27 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.66 1mr2 s ARG 23 N -0.21 0.41 -0.16 1.98 3.52 0.14 -1.14 118.95 123.49 1mr2 s ARG 23 Ca 0.09 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 1mr2 s ARG 23 Cb -0.12 -0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.10 1mr2 s ARG 23 CO 0.01 0.03 -0.16 0.50 -0.81 0.00 0.00 175.30 174.87 1mr2 s ARG 24 N -1.11 2.53 0.23 5.12 3.52 0.11 0.05 118.95 129.40 1mr2 s ARG 24 Ca -0.08 -0.65 0.11 0.00 -0.13 0.00 0.00 55.73 54.98 1mr2 s ARG 24 Cb -0.07 -2.25 -0.05 0.00 -1.56 0.00 0.00 34.95 31.02 1mr2 s ARG 24 CO -0.00 -0.22 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.60 1mr2 s ASP 25 N 1.39 3.83 -0.11 -2.12 1.01 0.01 -0.82 116.67 119.86 1mr2 s ASP 25 Ca 0.04 -0.83 -0.02 0.00 0.71 0.00 0.00 52.55 52.46 1mr2 s ASP 25 Cb -0.13 -0.46 -0.03 0.00 1.01 0.00 0.00 42.92 43.31 1mr2 s ASP 25 CO -0.11 0.07 -0.04 -1.10 0.21 0.00 0.00 175.17 174.20 1mr2 s GLN 26 N -3.14 3.18 0.29 8.23 -1.52 -0.87 -0.72 119.66 125.10 1mr2 s GLN 26 Ca 0.26 -0.51 0.06 0.00 -1.95 0.00 0.00 55.36 53.22 1mr2 s GLN 26 Cb -0.07 -2.76 -0.06 0.00 -0.22 0.00 0.00 33.01 29.90 1mr2 s GLN 26 CO 0.14 0.49 -0.03 0.08 -0.25 0.00 0.00 175.29 175.73 1mr2 s VAL 27 N -0.33 1.50 0.00 1.09 1.01 0.58 -0.40 120.40 123.85 1mr2 s VAL 27 Ca 0.05 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 59.95 1mr2 s VAL 27 Cb -0.12 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1mr2 s VAL 27 CO 0.02 -0.23 0.00 -1.14 0.00 0.00 0.00 175.10 173.76 1mr2 n ARG 28 N -0.61 0.00 -5.26 2.72 0.63 0.14 -2.65 116.66 111.63 1mr2 n ARG 28 Ca -0.05 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.58 1mr2 n ARG 28 Cb 0.64 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 33.39 1mr2 n ARG 28 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1mr2 s ILE 34 N 0.00 2.00 -0.03 5.15 1.01 -1.26 -4.44 121.20 123.63 1mr2 s ILE 34 Ca 0.00 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 1mr2 s ILE 34 Cb 0.00 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.83 1mr2 s ILE 34 CO 0.00 0.56 0.39 0.68 0.00 0.00 0.00 174.94 176.57 1mr2 s VAL 35 N -0.45 0.04 -0.16 2.92 -7.23 -1.08 -5.15 120.40 109.28 1mr2 s VAL 35 Ca 0.05 -0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 59.76 1mr2 s VAL 35 Cb -0.11 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.10 1mr2 s VAL 35 CO 0.01 -0.19 0.24 -0.89 -0.31 0.00 0.00 175.10 173.96 1mr2 s THR 36 N -1.16 5.34 -0.18 5.32 2.01 -1.26 -0.31 115.64 125.39 1mr2 s THR 36 Ca -0.12 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 1mr2 s THR 36 Cb -0.04 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.95 1mr2 s THR 36 CO 0.05 0.43 0.03 -0.13 -0.69 0.00 0.00 174.62 174.30 1mr2 s ARG 37 N 0.24 0.71 -0.22 4.92 1.81 0.10 -4.99 118.95 121.52 1mr2 s ARG 37 Ca 0.14 -0.39 -0.17 0.00 -1.72 0.00 0.00 55.73 53.60 1mr2 s ARG 37 Cb -0.13 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.34 1mr2 s ARG 37 CO 0.03 -0.59 0.44 -1.21 -0.68 0.00 0.00 175.30 173.29 1mr2 s GLU 38 N 1.85 4.13 -0.04 3.54 2.02 -1.26 -0.81 118.70 128.12 1mr2 s GLU 38 Ca -0.00 0.25 0.05 0.00 0.02 0.00 0.00 54.97 55.28 1mr2 s GLU 38 Cb -0.17 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.46 1mr2 s GLU 38 CO -0.08 -0.17 -0.19 0.08 0.02 0.00 0.00 175.26 174.93 1mr2 s VAL 39 N 1.71 2.66 -0.45 2.63 1.01 0.11 -4.73 120.40 123.33 1mr2 s VAL 39 Ca 0.20 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1mr2 s VAL 39 Cb -0.15 -2.01 0.07 0.00 0.00 0.00 0.00 36.38 34.29 1mr2 s VAL 39 CO 0.09 0.58 0.34 -0.69 0.00 0.00 0.00 175.10 175.42 1mr2 s VAL 40 N -0.59 4.86 0.01 2.92 1.01 0.12 -0.69 120.40 128.04 1mr2 s VAL 40 Ca 0.09 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 1mr2 s VAL 40 Cb -0.11 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1mr2 s VAL 40 CO 0.01 -0.53 1.25 -1.61 0.00 0.00 0.00 175.10 174.22 1mr2 s GLU 41 N 1.57 4.37 0.25 2.72 2.02 0.10 -2.02 118.70 127.71 1mr2 s GLU 41 Ca 0.04 1.79 0.09 0.00 0.02 0.00 0.00 54.97 56.91 1mr2 s GLU 41 Cb -0.23 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 1mr2 s GLU 41 CO 0.05 -0.40 -0.15 -1.58 0.02 0.00 0.00 175.26 173.21 1mr2 s HIS 42 N 1.75 2.01 0.13 1.61 2.46 -1.26 -1.58 115.29 120.41 1mr2 s HIS 42 Ca 0.59 -0.50 -0.12 0.00 0.47 0.00 0.00 55.06 55.49 1mr2 s HIS 42 Cb -0.29 -0.96 -0.03 0.00 -0.13 0.00 0.00 32.58 31.17 1mr2 s HIS 42 CO 0.26 0.49 1.51 0.74 -2.47 0.00 0.00 174.74 175.27 1mr2 h PHE 43 N 2.37 1.00 0.00 3.88 0.04 -1.93 -3.40 116.94 118.90 1mr2 h PHE 43 Ca -0.39 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.12 1mr2 h PHE 43 Cb 1.24 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1mr2 h PHE 43 CO 0.75 1.04 0.00 0.41 -0.60 0.00 0.00 178.31 179.90 1mr2 n GLY 44 N -0.04 2.14 3.51 -1.45 0.00 -1.26 -4.56 105.19 103.52 1mr2 n GLY 44 Ca -0.01 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1mr2 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mr2 s ALA 45 N -2.50 0.14 -0.01 4.61 0.00 -1.05 -0.74 121.76 122.21 1mr2 s ALA 45 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1mr2 s ALA 45 Cb 0.00 1.14 -0.00 0.00 0.00 0.00 0.00 23.12 24.26 1mr2 s ALA 45 CO 0.00 -0.80 -0.07 0.14 0.00 0.00 0.00 175.76 175.03 1mr2 s VAL 46 N -3.92 0.59 0.17 0.00 -7.23 -0.48 -1.70 120.40 107.84 1mr2 s VAL 46 Ca 0.27 -0.29 0.07 0.00 -1.81 0.00 0.00 61.98 60.21 1mr2 s VAL 46 Cb 0.01 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1mr2 s VAL 46 CO 0.11 0.18 -0.15 0.00 -0.31 0.00 0.00 175.10 174.93 1mr2 s ALA 47 N -0.02 1.86 -0.05 1.32 0.00 -0.37 -1.36 121.76 123.15 1mr2 s ALA 47 Ca 0.01 -1.53 0.03 0.00 0.00 0.00 0.00 51.96 50.46 1mr2 s ALA 47 Cb -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1mr2 s ALA 47 CO -0.00 0.10 -0.12 0.42 0.00 0.00 0.00 175.76 176.17 1mr2 s ILE 48 N -2.60 1.03 -0.59 0.00 1.09 -0.09 -0.58 121.20 119.46 1mr2 s ILE 48 Ca 0.18 -0.46 -0.07 0.00 -1.10 0.00 0.00 60.65 59.19 1mr2 s ILE 48 Cb -0.03 -0.93 0.15 0.00 -1.06 0.00 0.00 42.46 40.60 1mr2 s ILE 48 CO 0.05 0.32 0.45 -0.69 -0.10 0.00 0.00 174.94 174.97 1mr2 s VAL 49 N 0.41 4.25 -0.57 2.92 1.01 0.62 -3.95 120.40 125.08 1mr2 s VAL 49 Ca -0.09 -2.34 -0.22 0.00 0.00 0.00 0.00 61.98 59.34 1mr2 s VAL 49 Cb -0.13 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1mr2 s VAL 49 CO 0.02 -0.85 0.83 0.00 0.00 0.00 0.00 175.10 175.10 1mr2 s ALA 50 N 0.63 3.24 -0.22 5.51 0.00 -1.26 -1.64 121.76 128.01 1mr2 s ALA 50 Ca 0.12 -1.67 -0.12 0.00 0.00 0.00 0.00 51.96 50.29 1mr2 s ALA 50 Cb -0.21 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 1mr2 s ALA 50 CO -0.03 -2.39 0.24 1.41 0.00 0.00 0.00 175.76 174.99 1mr2 s MET 51 N 3.47 4.12 0.80 0.00 1.75 -0.50 -3.77 119.30 125.15 1mr2 s MET 51 Ca 0.21 -0.10 -0.08 0.00 -1.25 0.00 0.00 55.69 54.48 1mr2 s MET 51 Cb -0.17 -3.53 0.13 0.00 2.84 0.00 0.00 34.83 34.10 1mr2 s MET 51 CO 0.13 0.04 1.11 0.16 -0.65 0.00 0.00 175.02 175.81 1mr2 s ASP 52 N 1.00 4.10 0.67 1.11 1.47 -0.10 -4.44 116.67 120.47 1mr2 s ASP 52 Ca 0.12 0.12 0.33 0.00 1.18 0.00 0.00 52.55 54.30 1mr2 s ASP 52 Cb -0.14 -0.48 1.78 0.00 -0.34 0.00 0.00 42.92 43.73 1mr2 s ASP 52 CO 0.05 -2.06 2.00 -0.78 0.68 0.00 0.00 175.17 175.06 1mr2 h ASP 53 N -0.92 0.00 -0.49 2.11 1.82 -1.96 -1.28 116.42 115.69 1mr2 h ASP 53 Ca -0.42 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1mr2 h ASP 53 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1mr2 h ASP 53 CO 0.46 0.00 0.00 0.59 -1.61 0.00 0.00 179.24 178.68 1mr2 n ASN 54 N -2.94 3.77 -0.13 2.28 3.02 -1.26 -4.97 115.26 115.03 1mr2 n ASN 54 Ca -0.02 -2.28 -0.01 0.00 -0.03 0.00 0.00 54.58 52.23 1mr2 n ASN 54 Cb 0.33 -0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1mr2 n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mr2 n GLY 55 N 0.73 0.38 3.73 7.41 0.00 -0.48 -4.97 105.19 111.99 1mr2 n GLY 55 Ca 0.19 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 1mr2 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mr2 s ASN 56 N -2.96 5.18 0.05 1.61 0.01 -1.26 -1.57 114.94 115.99 1mr2 s ASN 56 Ca 0.00 -0.24 0.03 0.00 -0.71 0.00 0.00 52.86 51.94 1mr2 s ASN 56 Cb 0.00 -1.25 -0.02 0.00 0.41 0.00 0.00 41.25 40.39 1mr2 s ASN 56 CO 0.00 0.09 -0.09 0.27 -1.51 0.00 0.00 177.10 175.86 1mr2 s ILE 57 N -1.69 0.69 0.10 0.60 -4.36 -0.52 -0.93 121.20 115.09 1mr2 s ILE 57 Ca 0.29 -1.11 -0.17 0.00 -0.26 0.00 0.00 60.65 59.40 1mr2 s ILE 57 Cb -0.10 -0.72 -0.07 0.00 1.25 0.00 0.00 42.46 42.82 1mr2 s ILE 57 CO 0.21 -0.32 0.56 -2.16 0.24 0.00 0.00 174.94 173.47 1mr2 s PRO 58 N -1.57 4.12 0.02 0.37 0.04 -1.25 -0.77 135.00 135.96 1mr2 s PRO 58 Ca -0.07 0.65 0.02 0.00 0.04 0.00 0.00 61.00 61.63 1mr2 s PRO 58 Cb -0.10 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 1mr2 s PRO 58 CO 0.01 0.58 -0.07 -1.64 0.04 0.00 0.00 177.00 175.92 1mr2 s MET 59 N -1.44 0.49 0.09 4.56 -1.94 0.51 -4.65 119.30 116.93 1mr2 s MET 59 Ca 0.32 -0.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.89 1mr2 s MET 59 Cb -0.18 -0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.24 1mr2 s MET 59 CO 0.19 0.09 0.11 0.14 -0.01 0.00 0.00 175.02 175.55 1mr2 s VAL 60 N -0.66 4.67 -0.43 -6.03 -7.23 -0.20 -0.43 120.40 110.09 1mr2 s VAL 60 Ca -0.03 -0.77 -0.07 0.00 -1.81 0.00 0.00 61.98 59.30 1mr2 s VAL 60 Cb -0.05 -3.28 0.10 0.00 0.56 0.00 0.00 36.38 33.70 1mr2 s VAL 60 CO 0.00 0.08 0.26 -0.47 -0.31 0.00 0.00 175.10 174.66 1mr2 s TYR 61 N -1.48 3.43 -0.01 2.82 5.04 -0.56 -1.00 117.35 125.58 1mr2 s TYR 61 Ca 0.31 -1.88 0.08 0.00 -2.44 0.00 0.00 57.07 53.13 1mr2 s TYR 61 Cb -0.12 -3.17 -0.02 0.00 0.35 0.00 0.00 41.96 39.00 1mr2 s TYR 61 CO 0.23 -0.93 -0.25 -1.14 -1.34 0.00 0.00 175.55 172.13 1mr2 s GLN 62 N 1.32 2.07 0.05 4.97 0.74 -0.66 -4.41 119.66 123.74 1mr2 s GLN 62 Ca 0.05 -0.95 -0.31 0.00 0.05 0.00 0.00 55.36 54.20 1mr2 s GLN 62 Cb -0.24 -2.06 -0.06 0.00 1.10 0.00 0.00 33.01 31.75 1mr2 s GLN 62 CO -0.01 0.55 1.28 -0.47 -0.55 0.00 0.00 175.29 176.10 1mr2 s TYR 63 N -0.68 3.25 -0.37 1.67 5.04 -1.26 -0.34 117.35 124.66 1mr2 s TYR 63 Ca 0.11 1.12 -0.02 0.00 -2.44 0.00 0.00 57.07 55.84 1mr2 s TYR 63 Cb -0.10 -3.53 0.09 0.00 0.35 0.00 0.00 41.96 38.78 1mr2 s TYR 63 CO 0.00 -1.76 0.13 1.03 -1.34 0.00 0.00 175.55 173.61 1mr2 s ARG 64 N 1.46 2.05 0.34 4.97 1.81 0.12 -4.93 118.95 124.76 1mr2 s ARG 64 Ca 0.61 -1.68 0.10 0.00 -1.72 0.00 0.00 55.73 53.04 1mr2 s ARG 64 Cb -0.31 -3.42 0.86 0.00 -0.45 0.00 0.00 34.95 31.63 1mr2 s ARG 64 CO 0.28 -0.93 1.79 1.25 -0.68 0.00 0.00 175.30 177.00 1mr2 h HIS 65 N 7.98 0.92 -0.53 -0.53 -0.00 -1.95 0.29 115.15 121.33 1mr2 h HIS 65 Ca -0.14 0.03 0.15 0.00 -0.00 0.00 0.00 60.37 60.41 1mr2 h HIS 65 Cb 1.05 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.16 1mr2 h HIS 65 CO 0.56 0.18 0.41 1.79 -0.00 0.00 0.00 177.93 180.87 1mr2 h THR 66 N 0.64 0.63 -0.00 6.26 1.35 -1.94 -1.77 112.91 118.08 1mr2 h THR 66 Ca 0.57 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.43 1mr2 h THR 66 Cb 1.06 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1mr2 h THR 66 CO -0.34 0.00 -0.30 -1.22 -0.25 0.00 0.00 175.52 173.40 1mr2 n TYR 67 N -4.20 0.00 -2.42 4.73 4.01 0.23 -5.01 117.16 114.50 1mr2 n TYR 67 Ca 0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.70 1mr2 n TYR 67 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1mr2 n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mr2 n GLY 68 N 1.11 -0.15 3.83 2.72 0.00 0.77 -4.99 105.19 108.48 1mr2 n GLY 68 Ca 0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1mr2 n GLY 68 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mr2 s ARG 69 N -4.87 1.84 0.12 1.61 1.70 -1.18 -4.98 118.95 113.18 1mr2 s ARG 69 Ca 0.07 -1.08 -0.16 0.00 -0.47 0.00 0.00 55.73 54.09 1mr2 s ARG 69 Cb -0.03 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.87 1mr2 s ARG 69 CO 0.08 -0.85 0.56 1.03 -1.08 0.00 0.00 175.30 175.04 1mr2 s ARG 70 N -3.32 4.06 0.13 3.89 0.52 -1.26 0.12 118.95 123.09 1mr2 s ARG 70 Ca 0.13 0.58 0.08 0.00 -0.52 0.00 0.00 55.73 56.00 1mr2 s ARG 70 Cb -0.05 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 1mr2 s ARG 70 CO 0.08 0.54 -0.18 -0.51 0.02 0.00 0.00 175.30 175.24 1mr2 s LEU 71 N -1.65 2.36 -0.16 2.53 1.43 0.53 -4.91 118.68 118.83 1mr2 s LEU 71 Ca 0.35 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 1mr2 s LEU 71 Cb -0.17 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 1mr2 s LEU 71 CO 0.19 -0.01 0.61 0.26 0.23 0.00 0.00 176.35 177.63 1mr2 s TRP 72 N -1.64 3.44 0.22 0.29 0.52 -1.26 -1.65 118.94 118.87 1mr2 s TRP 72 Ca 0.10 0.98 -0.02 0.00 0.02 0.00 0.00 56.10 57.18 1mr2 s TRP 72 Cb -0.08 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.46 1mr2 s TRP 72 CO 0.05 -0.06 0.20 -1.21 0.02 0.00 0.00 176.95 175.95 1mr2 s GLU 73 N 1.44 1.32 0.38 4.98 2.02 -0.17 -4.48 118.70 124.20 1mr2 s GLU 73 Ca 0.30 -1.62 -0.08 0.00 0.02 0.00 0.00 54.97 53.59 1mr2 s GLU 73 Cb -0.16 0.31 -0.06 0.00 0.10 0.00 0.00 34.13 34.32 1mr2 s GLU 73 CO 0.12 -0.46 0.71 -0.51 0.02 0.00 0.00 175.26 175.14 1mr2 s LEU 74 N -3.16 3.87 0.19 1.80 1.43 -1.26 -1.04 118.68 120.51 1mr2 s LEU 74 Ca 0.37 0.99 -0.32 0.00 -1.03 0.00 0.00 54.13 54.14 1mr2 s LEU 74 Cb 0.05 -3.87 -0.11 0.00 0.03 0.00 0.00 46.19 42.30 1mr2 s LEU 74 CO 0.13 -0.37 1.64 -2.84 0.23 0.00 0.00 176.35 175.14 1mr2 s PRO 75 N -3.87 4.17 0.09 1.29 0.02 -1.25 -4.81 135.00 130.63 1mr2 s PRO 75 Ca 0.49 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 63.83 1mr2 s PRO 75 Cb -0.10 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.34 1mr2 s PRO 75 CO 0.32 -0.67 0.38 0.00 -0.33 0.00 0.00 177.00 176.70 1mr2 s ALA 76 N 1.08 -0.87 0.08 -1.55 0.00 -1.26 -0.92 121.76 118.32 1mr2 s ALA 76 Ca 0.72 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1mr2 s ALA 76 Cb -0.47 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1mr2 s ALA 76 CO 0.33 -0.55 0.24 0.20 0.00 0.00 0.00 175.76 175.98 1mr2 s GLY 77 N -2.48 -0.01 0.50 0.00 0.00 -0.46 -5.00 107.32 99.88 1mr2 s GLY 77 Ca -0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 44.72 44.14 1mr2 s GLY 77 CO -0.08 -0.60 0.98 1.08 0.00 0.00 0.00 173.10 174.47 1mr2 s LEU 78 N -2.66 3.67 -0.41 0.66 1.43 -1.26 -1.38 118.68 118.74 1mr2 s LEU 78 Ca 0.02 1.58 -0.05 0.00 -1.03 0.00 0.00 54.13 54.65 1mr2 s LEU 78 Cb 0.03 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 1mr2 s LEU 78 CO -0.09 -0.55 3.03 0.18 0.23 0.00 0.00 176.35 179.15 1mr2 n LEU 79 N -1.43 6.26 -0.05 1.79 4.77 0.09 -4.50 117.00 123.92 1mr2 n LEU 79 Ca 0.07 -3.85 0.15 0.00 -0.03 0.00 0.00 56.01 52.35 1mr2 n LEU 79 Cb 0.54 -1.31 0.78 0.00 -2.33 0.00 0.00 43.42 41.09 1mr2 n LEU 79 CO 0.45 1.76 1.01 -0.90 -1.33 0.00 0.00 177.39 178.38 1mr2 n ASP 80 N 1.56 0.17 -4.41 -1.43 5.68 -1.26 -4.60 116.55 112.27 1mr2 n ASP 80 Ca 0.49 -0.59 -0.45 0.00 -0.50 0.00 0.00 54.79 53.75 1mr2 n ASP 80 Cb 0.64 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 1mr2 n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1mr2 s VAL 81 N -2.33 4.90 -0.06 2.12 1.01 -1.26 -5.01 120.40 119.77 1mr2 s VAL 81 Ca 0.35 -1.53 -0.39 0.00 0.00 0.00 0.00 61.98 60.42 1mr2 s VAL 81 Cb 0.21 -4.64 -0.17 0.00 0.00 0.00 0.00 36.38 31.78 1mr2 s VAL 81 CO 0.43 -1.31 1.45 0.00 0.00 0.00 0.00 175.10 175.67 1mr2 n ALA 82 N 6.05 -1.02 -0.52 5.51 0.00 -1.26 -1.46 120.51 127.80 1mr2 n ALA 82 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1mr2 n ALA 82 Cb 0.47 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1mr2 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mr2 n GLY 83 N 3.01 1.39 3.68 0.00 0.00 -1.26 -5.00 105.19 107.00 1mr2 n GLY 83 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1mr2 n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mr2 s GLU 84 N -0.14 4.35 0.18 1.61 2.12 -0.54 -5.01 118.70 121.27 1mr2 s GLU 84 Ca 0.00 1.05 -0.33 0.00 0.36 0.00 0.00 54.97 56.04 1mr2 s GLU 84 Cb 0.00 -3.54 -0.14 0.00 0.26 0.00 0.00 34.13 30.71 1mr2 s GLU 84 CO 0.00 -0.24 1.48 -2.30 -0.54 0.00 0.00 175.26 173.66 1mr2 n PRO 85 N 4.87 1.96 -0.27 4.30 -0.02 -1.26 -4.78 135.00 139.80 1mr2 n PRO 85 Ca 0.04 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.26 1mr2 n PRO 85 Cb 0.49 -2.41 0.12 0.00 -0.02 0.00 0.00 33.50 31.68 1mr2 n PRO 85 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1mr2 h PRO 86 N 5.10 0.02 0.00 0.52 0.11 -1.97 0.24 132.00 136.02 1mr2 h PRO 86 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mr2 h PRO 86 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1mr2 h PRO 86 CO 0.82 0.01 0.00 1.12 -0.21 0.00 0.00 178.00 179.75 1mr2 h HIS 87 N 0.02 0.00 -0.04 0.65 2.07 -1.98 0.12 115.15 116.00 1mr2 h HIS 87 Ca 0.40 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.83 1mr2 h HIS 87 Cb 0.64 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.62 1mr2 h HIS 87 CO -0.58 0.00 -0.32 1.25 -3.07 0.00 0.00 177.93 175.21 1mr2 h LEU 88 N 0.00 0.35 -0.61 6.12 5.85 -0.91 -0.59 115.31 125.52 1mr2 h LEU 88 Ca 0.00 -0.70 0.04 0.00 0.84 0.00 0.00 57.88 58.07 1mr2 h LEU 88 Cb 0.46 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1mr2 h LEU 88 CO 0.00 0.99 0.34 0.74 -0.34 0.00 0.00 178.44 180.17 1mr2 h THR 89 N -0.27 1.00 -0.76 1.05 2.02 -0.45 -1.38 112.91 114.12 1mr2 h THR 89 Ca -0.03 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1mr2 h THR 89 Cb 1.01 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1mr2 h THR 89 CO 0.07 0.12 0.33 0.00 0.37 0.00 0.00 175.52 176.41 1mr2 h ALA 90 N 1.30 1.16 -0.04 6.16 0.00 -0.71 -1.67 119.26 125.46 1mr2 h ALA 90 Ca 0.26 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1mr2 h ALA 90 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1mr2 h ALA 90 CO -0.15 0.62 -0.45 0.00 0.00 0.00 0.00 179.25 179.27 1mr2 h ALA 91 N 1.28 1.18 -0.15 0.00 0.00 -0.46 -1.58 119.26 119.53 1mr2 h ALA 91 Ca 0.26 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1mr2 h ALA 91 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1mr2 h ALA 91 CO -0.03 0.59 -0.50 -0.09 0.00 0.00 0.00 179.25 179.22 1mr2 h ARG 92 N 0.08 0.61 -0.47 0.00 1.12 -0.85 -2.71 114.38 112.14 1mr2 h ARG 92 Ca 0.00 -0.45 -0.13 0.00 -1.11 0.00 0.00 59.98 58.29 1mr2 h ARG 92 Cb 0.83 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.85 1mr2 h ARG 92 CO 0.06 1.07 -0.22 1.49 -3.11 0.00 0.00 179.97 179.26 1mr2 h GLU 93 N 0.26 0.98 -0.76 0.20 4.57 -1.22 -0.19 114.58 118.42 1mr2 h GLU 93 Ca -0.02 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1mr2 h GLU 93 Cb 1.13 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 1mr2 h GLU 93 CO 0.11 1.09 0.49 1.25 -1.18 0.00 0.00 179.01 180.76 1mr2 h LEU 94 N 0.84 0.88 0.16 1.64 5.85 -1.32 0.30 115.31 123.67 1mr2 h LEU 94 Ca 0.11 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1mr2 h LEU 94 Cb 0.80 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1mr2 h LEU 94 CO 0.07 0.66 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.66 1mr2 h ARG 95 N 1.03 -0.21 -0.06 1.25 2.43 -1.21 -2.07 114.38 115.54 1mr2 h ARG 95 Ca 0.28 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.36 1mr2 h ARG 95 Cb -0.09 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1mr2 h ARG 95 CO -0.06 0.10 -0.40 0.93 -1.51 0.00 0.00 179.97 179.03 1mr2 h GLU 96 N -0.53 0.13 0.12 0.20 5.08 -0.89 0.28 114.58 118.97 1mr2 h GLU 96 Ca -0.02 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.07 1mr2 h GLU 96 Cb 0.41 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1mr2 h GLU 96 CO 0.04 0.52 -1.01 1.49 -1.00 0.00 0.00 179.01 179.05 1mr2 h GLU 97 N 0.11 0.25 0.00 2.33 4.57 -0.43 -3.41 114.58 118.01 1mr2 h GLU 97 Ca 0.01 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1mr2 h GLU 97 Cb 0.76 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1mr2 h GLU 97 CO 0.06 1.21 -0.14 1.33 -1.18 0.00 0.00 179.01 180.29 1mr2 n VAL 98 N -4.09 0.68 -3.71 0.32 0.24 -0.79 -5.00 118.33 105.98 1mr2 n VAL 98 Ca -0.18 -0.78 -0.27 0.00 -2.04 0.00 0.00 64.34 61.07 1mr2 n VAL 98 Cb 0.83 0.45 0.03 0.00 -1.47 0.00 0.00 33.84 33.68 1mr2 n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mr2 n GLY 99 N -0.46 -0.70 3.04 7.63 0.00 0.98 -4.96 105.19 110.71 1mr2 n GLY 99 Ca 0.04 0.33 -0.17 0.00 0.00 0.00 0.00 46.02 46.22 1mr2 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mr2 s LEU 100 N -6.54 2.09 0.01 0.99 1.43 -1.21 -2.30 118.68 113.14 1mr2 s LEU 100 Ca 0.28 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1mr2 s LEU 100 Cb -0.09 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1mr2 s LEU 100 CO 0.85 0.03 -0.23 -1.58 0.23 0.00 0.00 176.35 175.65 1mr2 s GLN 101 N -0.62 2.07 -0.04 1.70 0.74 0.56 -3.39 119.66 120.69 1mr2 s GLN 101 Ca 0.00 -0.96 0.04 0.00 0.05 0.00 0.00 55.36 54.50 1mr2 s GLN 101 Cb -0.05 -2.10 -0.00 0.00 1.10 0.00 0.00 33.01 31.96 1mr2 s GLN 101 CO 0.00 0.55 -0.15 0.00 -0.55 0.00 0.00 175.29 175.14 1mr2 s ALA 102 N -0.74 1.35 0.10 1.58 0.00 -1.26 -0.43 121.76 122.36 1mr2 s ALA 102 Ca 0.12 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1mr2 s ALA 102 Cb -0.10 -0.45 -0.24 0.00 0.00 0.00 0.00 23.12 22.34 1mr2 s ALA 102 CO 0.01 0.25 1.21 0.66 0.00 0.00 0.00 175.76 177.89 1mr2 h SER 103 N 6.24 0.23 -3.31 0.00 4.64 -1.13 -3.45 113.55 116.77 1mr2 h SER 103 Ca -0.33 -0.25 -0.66 0.00 -0.47 0.00 0.00 61.79 60.08 1mr2 h SER 103 Cb 1.17 -0.08 -0.28 0.00 -0.31 0.00 0.00 62.40 62.90 1mr2 h SER 103 CO 0.48 1.18 -0.77 -0.89 -0.87 0.00 0.00 176.83 175.96 1mr2 s THR 104 N -2.71 2.97 -0.10 2.95 2.01 -0.85 -5.02 115.64 114.90 1mr2 s THR 104 Ca -0.02 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1mr2 s THR 104 Cb 0.08 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.33 1mr2 s THR 104 CO 0.85 0.50 -0.19 0.26 -0.69 0.00 0.00 174.62 175.36 1mr2 s TRP 105 N 0.74 2.13 0.18 4.92 0.52 -1.26 -1.17 118.94 124.99 1mr2 s TRP 105 Ca -0.05 -0.90 0.02 0.00 0.02 0.00 0.00 56.10 55.19 1mr2 s TRP 105 Cb -0.15 -1.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 1mr2 s TRP 105 CO 0.01 -0.41 -0.00 -0.65 0.02 0.00 0.00 176.95 175.92 1mr2 s GLN 106 N 0.61 1.13 -0.19 4.98 -0.21 -0.85 -4.49 119.66 120.63 1mr2 s GLN 106 Ca -0.14 -1.55 -0.19 0.00 0.02 0.00 0.00 55.36 53.50 1mr2 s GLN 106 Cb -0.17 -0.32 -0.03 0.00 1.00 0.00 0.00 33.01 33.49 1mr2 s GLN 106 CO 0.04 -0.12 0.54 0.08 -2.12 0.00 0.00 175.29 173.72 1mr2 s VAL 107 N -3.61 5.09 -0.08 1.09 1.01 0.23 -0.71 120.40 123.42 1mr2 s VAL 107 Ca 0.24 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.16 1mr2 s VAL 107 Cb 0.06 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1mr2 s VAL 107 CO 0.04 0.17 -0.12 -0.11 0.00 0.00 0.00 175.10 175.09 1mr2 n LEU 108 N 4.76 0.95 -3.65 3.92 7.94 -0.34 -0.35 117.00 130.23 1mr2 n LEU 108 Ca -0.04 0.36 -0.14 0.00 -1.11 0.00 0.00 56.01 55.08 1mr2 n LEU 108 Cb 0.50 -0.67 -0.08 0.00 0.53 0.00 0.00 43.42 43.70 1mr2 n LEU 108 CO 0.42 -0.45 0.30 0.54 -1.11 0.00 0.00 177.39 177.09 1mr2 s VAL 109 N -1.75 0.00 -0.09 1.96 0.11 -0.82 -4.85 120.40 114.97 1mr2 s VAL 109 Ca -0.10 -0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.89 1mr2 s VAL 109 Cb 0.01 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1mr2 s VAL 109 CO 0.15 -0.02 0.07 -1.81 -3.33 0.00 0.00 175.10 170.16 1mr2 s ASP 110 N 0.02 5.79 0.00 3.54 1.01 -1.26 -0.08 116.67 125.69 1mr2 s ASP 110 Ca -0.02 0.28 0.01 0.00 0.71 0.00 0.00 52.55 53.53 1mr2 s ASP 110 Cb -0.04 -1.75 -0.01 0.00 1.01 0.00 0.00 42.92 42.14 1mr2 s ASP 110 CO 0.02 0.38 -0.03 -1.48 0.21 0.00 0.00 175.17 174.27 1mr2 s LEU 111 N -1.07 2.05 -0.45 1.23 2.34 -0.35 -4.98 118.68 117.46 1mr2 s LEU 111 Ca 0.15 -0.13 -0.12 0.00 0.06 0.00 0.00 54.13 54.09 1mr2 s LEU 111 Cb -0.12 -0.12 0.08 0.00 -0.56 0.00 0.00 46.19 45.47 1mr2 s LEU 111 CO 0.05 -0.02 0.33 -1.81 -1.06 0.00 0.00 176.35 173.85 1mr2 s ASP 112 N -0.32 5.89 0.08 1.48 1.01 -1.26 -0.46 116.67 123.10 1mr2 s ASP 112 Ca -0.01 -1.46 -0.27 0.00 0.71 0.00 0.00 52.55 51.52 1mr2 s ASP 112 Cb -0.03 -2.08 -0.11 0.00 1.01 0.00 0.00 42.92 41.71 1mr2 s ASP 112 CO -0.00 -0.61 1.43 0.71 0.21 0.00 0.00 175.17 176.92 1mr2 h THR 113 N 5.93 0.00 -2.47 -1.27 1.35 -1.94 -3.36 112.91 111.15 1mr2 h THR 113 Ca -0.26 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 65.01 1mr2 h THR 113 Cb 1.10 0.00 -0.40 0.00 -1.73 0.00 0.00 68.15 67.12 1mr2 h THR 113 CO 0.83 0.00 -0.86 0.00 -0.25 0.00 0.00 175.52 175.23 1mr2 n ALA 114 N -2.84 3.04 0.33 6.62 0.00 -1.26 -4.95 120.51 121.44 1mr2 n ALA 114 Ca -0.06 -3.66 0.17 0.00 0.00 0.00 0.00 53.44 49.89 1mr2 n ALA 114 Cb 0.32 -0.84 0.91 0.00 0.00 0.00 0.00 19.45 19.84 1mr2 n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1mr2 h PRO 115 N 5.16 0.00 -0.02 0.00 0.11 -1.77 -1.98 132.00 133.50 1mr2 h PRO 115 Ca 0.20 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.21 1mr2 h PRO 115 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1mr2 h PRO 115 CO 0.51 0.00 -0.45 0.78 -0.21 0.00 0.00 178.00 178.64 1mr2 h GLY 116 N 0.00 0.04 0.00 -0.55 0.00 -1.95 -3.39 103.07 97.21 1mr2 h GLY 116 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1mr2 h GLY 116 CO 0.00 0.03 0.00 1.97 0.00 0.00 0.00 176.54 178.54 1mr2 n PHE 117 N -4.01 0.00 -3.95 5.60 -1.74 -0.89 -4.98 117.46 107.50 1mr2 n PHE 117 Ca -0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.78 1mr2 n PHE 117 Cb 0.47 0.04 -0.10 0.00 1.52 0.00 0.00 39.48 41.42 1mr2 n PHE 117 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1mr2 s SER 118 N 0.00 0.19 0.00 5.98 0.15 -0.80 0.11 113.70 119.34 1mr2 s SER 118 Ca 0.00 -0.50 0.19 0.00 0.70 0.00 0.00 55.95 56.34 1mr2 s SER 118 Cb 0.00 0.19 0.54 0.00 -1.71 0.00 0.00 66.02 65.04 1mr2 s SER 118 CO 0.00 -0.44 1.45 -0.90 1.20 0.00 0.00 173.24 174.56 1mr2 n ASP 119 N 1.06 3.26 -4.75 5.45 5.75 -0.86 -4.41 116.55 122.05 1mr2 n ASP 119 Ca -0.21 -1.99 -0.41 0.00 -0.01 0.00 0.00 54.79 52.17 1mr2 n ASP 119 Cb 0.57 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 1mr2 n ASP 119 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1mr2 s GLU 120 N -1.21 4.16 0.00 0.11 2.12 -1.26 -4.42 118.70 118.20 1mr2 s GLU 120 Ca 0.41 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.25 1mr2 s GLU 120 Cb 0.21 -3.04 -0.00 0.00 0.26 0.00 0.00 34.13 31.56 1mr2 s GLU 120 CO 0.28 -0.56 -0.02 0.45 -0.54 0.00 0.00 175.26 174.87 1mr2 s SER 121 N 0.38 0.20 -0.10 -1.70 0.15 -1.26 -3.41 113.70 107.95 1mr2 s SER 121 Ca 0.61 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 57.18 1mr2 s SER 121 Cb -0.46 -0.00 0.01 0.00 -1.71 0.00 0.00 66.02 63.86 1mr2 s SER 121 CO 0.48 -0.03 -0.16 -0.69 1.20 0.00 0.00 173.24 174.04 1mr2 s VAL 122 N -0.26 1.56 -0.24 4.45 1.01 0.39 -2.52 120.40 124.79 1mr2 s VAL 122 Ca -0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 1mr2 s VAL 122 Cb -0.02 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1mr2 s VAL 122 CO -0.00 0.45 0.43 -0.60 0.00 0.00 0.00 175.10 175.38 1mr2 s ARG 123 N 0.85 4.10 -0.24 2.72 3.52 -0.69 -1.21 118.95 128.00 1mr2 s ARG 123 Ca -0.09 0.19 -0.09 0.00 -0.13 0.00 0.00 55.73 55.62 1mr2 s ARG 123 Cb -0.15 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1mr2 s ARG 123 CO 0.00 -0.20 0.11 0.08 -0.81 0.00 0.00 175.30 174.48 1mr2 s VAL 124 N 1.83 4.74 0.29 7.11 1.01 0.89 -1.23 120.40 135.03 1mr2 s VAL 124 Ca 0.19 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1mr2 s VAL 124 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1mr2 s VAL 124 CO 0.09 0.34 0.43 -0.31 0.00 0.00 0.00 175.10 175.65 1mr2 s TYR 125 N 1.39 3.42 -0.30 5.22 2.02 0.26 -1.20 117.35 128.16 1mr2 s TYR 125 Ca 0.06 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1mr2 s TYR 125 Cb -0.15 -1.73 0.07 0.00 -0.40 0.00 0.00 41.96 39.75 1mr2 s TYR 125 CO 0.05 0.28 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.12 1mr2 s LEU 126 N -4.11 4.01 -0.20 -1.29 2.96 0.11 -0.28 118.68 119.88 1mr2 s LEU 126 Ca 0.37 -1.57 -0.10 0.00 -0.22 0.00 0.00 54.13 52.61 1mr2 s LEU 126 Cb -0.09 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 1mr2 s LEU 126 CO 0.31 -0.28 0.13 0.00 -1.32 0.00 0.00 176.35 175.19 1mr2 s ALA 127 N 1.11 3.66 0.34 5.97 0.00 -0.65 -2.01 121.76 130.17 1mr2 s ALA 127 Ca -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1mr2 s ALA 127 Cb -0.20 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1mr2 s ALA 127 CO -0.04 0.13 0.13 0.95 0.00 0.00 0.00 175.76 176.92 1mr2 s THR 128 N 0.43 0.61 -0.69 0.00 -4.23 -0.31 -1.42 115.64 110.02 1mr2 s THR 128 Ca 0.08 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1mr2 s THR 128 Cb -0.11 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1mr2 s THR 128 CO -0.01 0.00 0.59 0.61 -0.54 0.00 0.00 174.62 175.27 1mr2 n GLY 129 N -0.71 -0.20 3.77 3.99 0.00 -1.26 -2.00 105.19 108.77 1mr2 n GLY 129 Ca -0.02 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1mr2 n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mr2 s LEU 130 N -4.58 4.43 -0.03 0.99 1.43 -1.26 -1.85 118.68 117.81 1mr2 s LEU 130 Ca 0.14 2.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.40 1mr2 s LEU 130 Cb -0.02 -3.80 0.03 0.00 0.03 0.00 0.00 46.19 42.43 1mr2 s LEU 130 CO 0.45 -0.23 0.05 -0.60 0.23 0.00 0.00 176.35 176.25 1mr2 s ARG 131 N -1.76 -0.05 -0.19 1.70 6.06 0.43 -4.98 118.95 120.16 1mr2 s ARG 131 Ca 0.48 0.30 -0.29 0.00 -2.50 0.00 0.00 55.73 53.72 1mr2 s ARG 131 Cb -0.28 -0.38 -0.01 0.00 0.06 0.00 0.00 34.95 34.34 1mr2 s ARG 131 CO 0.36 -0.25 1.24 -1.21 -2.50 0.00 0.00 175.30 172.93 1mr2 s GLU 132 N 1.64 4.20 0.33 5.12 2.02 -1.26 -0.32 118.70 130.44 1mr2 s GLU 132 Ca -0.02 1.58 0.04 0.00 0.02 0.00 0.00 54.97 56.59 1mr2 s GLU 132 Cb -0.12 -3.76 -0.06 0.00 0.10 0.00 0.00 34.13 30.28 1mr2 s GLU 132 CO -0.03 -0.74 0.06 0.14 0.02 0.00 0.00 175.26 174.71 1mr2 s VAL 133 N 3.54 1.23 0.00 2.63 -7.23 -0.97 -4.95 120.40 114.65 1mr2 s VAL 133 Ca 0.53 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1mr2 s VAL 133 Cb -0.20 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1mr2 s VAL 133 CO 0.14 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 1mr2 n GLY 134 N -0.71 -0.02 0.88 2.32 0.00 -1.26 -4.59 105.19 101.81 1mr2 n GLY 134 Ca -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1mr2 n GLY 134 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mr2 n ARG 135 N 0.00 0.00 -3.95 1.61 3.00 -1.26 -5.22 116.66 110.83 1mr2 n ARG 135 Ca 0.00 0.29 -0.29 0.00 -0.00 0.00 0.00 57.85 57.86 1mr2 n ARG 135 Cb 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 32.46 31.83 1mr2 n ARG 135 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1mr2 s THR 146 N 0.00 5.21 0.25 5.15 -4.23 -1.26 -5.29 115.64 115.46 1mr2 s THR 146 Ca 0.00 -0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 59.76 1mr2 s THR 146 Cb 0.00 -3.59 0.01 0.00 1.34 0.00 0.00 72.50 70.26 1mr2 s THR 146 CO 0.00 0.04 0.58 0.00 -0.54 0.00 0.00 174.62 174.71 1mr2 s MET 147 N -2.78 1.61 0.11 3.99 0.23 -1.26 -1.50 119.30 119.69 1mr2 s MET 147 Ca 0.34 -1.07 -0.10 0.00 -1.03 0.00 0.00 55.69 53.83 1mr2 s MET 147 Cb -0.12 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1mr2 s MET 147 CO 0.27 -0.70 0.24 0.20 -2.03 0.00 0.00 175.02 173.00 1mr2 s GLY 148 N -2.95 0.08 -0.17 3.16 0.00 0.43 -4.97 107.32 102.89 1mr2 s GLY 148 Ca 0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 44.72 44.25 1mr2 s GLY 148 CO 0.06 -0.72 0.08 -0.98 0.00 0.00 0.00 173.10 171.54 1mr2 s TRP 149 N -3.86 3.31 -0.04 1.90 0.52 -1.26 -0.36 118.94 119.14 1mr2 s TRP 149 Ca 0.06 0.17 0.04 0.00 0.02 0.00 0.00 56.10 56.39 1mr2 s TRP 149 Cb 0.04 -2.06 -0.00 0.00 -1.15 0.00 0.00 33.47 30.30 1mr2 s TRP 149 CO -0.10 0.25 -0.15 0.71 0.02 0.00 0.00 176.95 177.69 1mr2 s TYR 150 N 0.16 1.47 0.27 -1.98 1.51 0.05 -4.93 117.35 113.89 1mr2 s TYR 150 Ca 0.06 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 1mr2 s TYR 150 Cb -0.12 -1.00 -0.10 0.00 -0.11 0.00 0.00 41.96 40.63 1mr2 s TYR 150 CO 0.00 -0.15 1.37 -2.14 -1.11 0.00 0.00 175.55 173.53 1mr2 s PRO 151 N 0.10 4.32 0.29 -1.71 0.02 -1.26 -1.43 135.00 135.32 1mr2 s PRO 151 Ca -0.04 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.24 1mr2 s PRO 151 Cb -0.11 -3.11 0.70 0.00 0.02 0.00 0.00 34.50 32.00 1mr2 s PRO 151 CO 0.02 -0.31 1.70 0.82 -0.33 0.00 0.00 177.00 178.89 1mr2 h ILE 152 N 3.42 0.49 -0.74 2.83 2.04 -1.65 0.11 117.51 124.00 1mr2 h ILE 152 Ca -0.47 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.29 1mr2 h ILE 152 Cb 1.22 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1mr2 h ILE 152 CO 0.74 0.07 0.46 0.00 0.00 0.00 0.00 178.15 179.42 1mr2 h ALA 153 N 1.70 0.98 -0.21 1.87 0.00 -1.89 -0.70 119.26 121.01 1mr2 h ALA 153 Ca 0.54 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 1mr2 h ALA 153 Cb 1.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1mr2 h ALA 153 CO -0.52 0.24 0.00 1.49 0.00 0.00 0.00 179.25 180.46 1mr2 h GLU 154 N 0.90 0.36 -0.96 0.00 4.57 -1.19 -1.25 114.58 117.01 1mr2 h GLU 154 Ca 0.30 -0.11 0.12 0.00 -1.18 0.00 0.00 59.36 58.49 1mr2 h GLU 154 Cb 0.05 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.52 1mr2 h GLU 154 CO -0.12 0.56 0.59 0.00 -1.18 0.00 0.00 179.01 178.85 1mr2 h ALA 155 N 0.79 1.43 -0.45 2.92 0.00 -0.94 0.43 119.26 123.44 1mr2 h ALA 155 Ca 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1mr2 h ALA 155 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1mr2 h ALA 155 CO 0.01 0.18 0.07 0.00 0.00 0.00 0.00 179.25 179.51 1mr2 h ALA 156 N 1.52 0.60 0.00 0.00 0.00 -0.90 -1.73 119.26 118.75 1mr2 h ALA 156 Ca 0.48 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1mr2 h ALA 156 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1mr2 h ALA 156 CO -0.27 0.33 -0.38 0.00 0.00 0.00 0.00 179.25 178.92 1mr2 h ARG 157 N 0.61 0.00 -0.32 0.00 3.08 0.12 -2.05 114.38 115.82 1mr2 h ARG 157 Ca 0.14 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 1mr2 h ARG 157 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1mr2 h ARG 157 CO 0.01 0.38 -0.30 0.00 -1.07 0.00 0.00 179.97 178.99 1mr2 h ARG 158 N 0.00 0.68 -0.08 0.04 3.08 0.18 -1.75 114.38 116.53 1mr2 h ARG 158 Ca -0.00 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1mr2 h ARG 158 Cb 0.73 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1mr2 h ARG 158 CO 0.05 0.90 0.04 0.28 -1.07 0.00 0.00 179.97 180.16 1mr2 h VAL 159 N 0.58 1.12 0.00 2.04 2.07 -0.64 0.73 116.25 122.15 1mr2 h VAL 159 Ca 0.07 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1mr2 h VAL 159 Cb 0.80 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1mr2 h VAL 159 CO 0.07 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1mr2 n LEU 160 N -4.96 0.00 -0.42 2.57 7.99 -0.93 -1.38 117.00 119.86 1mr2 n LEU 160 Ca -0.06 0.18 0.05 0.00 -0.01 0.00 0.00 56.01 56.17 1mr2 n LEU 160 Cb 0.10 -0.18 0.05 0.00 -0.11 0.00 0.00 43.42 43.28 1mr2 n LEU 160 CO 0.34 -0.08 0.44 -1.14 -1.51 0.00 0.00 177.39 175.43 1mr2 n ARG 161 N -1.18 0.72 -1.00 3.23 0.63 -0.67 -4.99 116.66 113.40 1mr2 n ARG 161 Ca 0.10 -1.22 -0.00 0.00 -0.92 0.00 0.00 57.85 55.81 1mr2 n ARG 161 Cb 0.11 -1.20 -0.00 0.00 0.45 0.00 0.00 32.46 31.82 1mr2 n ARG 161 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1mr2 n GLY 162 N 0.55 0.46 0.05 5.14 0.00 -0.48 -4.91 105.19 106.00 1mr2 n GLY 162 Ca 0.06 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1mr2 n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mr2 n GLU 163 N -2.69 0.14 -3.88 1.61 1.02 0.17 -4.54 120.64 112.48 1mr2 n GLU 163 Ca -0.00 0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.94 1mr2 n GLU 163 Cb 0.04 -1.63 -0.16 0.00 -0.02 0.00 0.00 31.44 29.66 1mr2 n GLU 163 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mr2 s ILE 164 N -3.07 1.14 -0.01 -3.67 1.01 -1.20 -4.57 121.20 110.83 1mr2 s ILE 164 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1mr2 s ILE 164 Cb 0.15 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1mr2 s ILE 164 CO 0.62 -0.01 0.05 1.33 0.00 0.00 0.00 174.94 176.92 1mr2 n VAL 165 N 4.84 0.03 -1.70 2.92 0.24 -1.26 -4.56 118.33 118.84 1mr2 n VAL 165 Ca -0.11 -0.06 -0.53 0.00 -2.04 0.00 0.00 64.34 61.59 1mr2 n VAL 165 Cb 0.46 0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 32.95 1mr2 n VAL 165 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1mr2 n ASN 166 N -1.68 2.88 -0.31 -1.34 2.85 -1.26 -4.80 115.26 111.59 1mr2 n ASN 166 Ca -0.01 1.03 0.09 0.00 -0.11 0.00 0.00 54.58 55.57 1mr2 n ASN 166 Cb 0.16 -1.25 0.25 0.00 1.24 0.00 0.00 39.78 40.18 1mr2 n ASN 166 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1mr2 h SER 167 N 8.08 0.61 -0.61 1.20 4.64 -1.96 0.98 113.55 126.50 1mr2 h SER 167 Ca -0.47 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 60.89 1mr2 h SER 167 Cb 1.30 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 1mr2 h SER 167 CO 0.95 0.25 0.20 0.40 -0.87 0.00 0.00 176.83 177.75 1mr2 h ILE 168 N 0.67 1.24 -0.15 0.95 2.04 -2.00 -2.03 117.51 118.24 1mr2 h ILE 168 Ca 0.49 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1mr2 h ILE 168 Cb 0.71 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1mr2 h ILE 168 CO -0.37 0.31 0.01 0.00 0.00 0.00 0.00 178.15 178.11 1mr2 h ALA 169 N 1.06 0.20 -0.23 1.87 0.00 -1.52 -1.69 119.26 118.96 1mr2 h ALA 169 Ca 0.20 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1mr2 h ALA 169 Cb 0.28 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1mr2 h ALA 169 CO -0.01 -0.12 -0.04 0.82 0.00 0.00 0.00 179.25 179.89 1mr2 h ILE 170 N 0.01 0.79 -0.26 0.00 2.04 -0.77 0.10 117.51 119.43 1mr2 h ILE 170 Ca 0.04 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1mr2 h ILE 170 Cb 0.33 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1mr2 h ILE 170 CO 0.00 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.25 1mr2 h ALA 171 N 1.22 0.29 -0.23 1.87 0.00 -1.33 -1.01 119.26 120.08 1mr2 h ALA 171 Ca 0.11 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1mr2 h ALA 171 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1mr2 h ALA 171 CO -0.22 -0.32 -0.06 0.78 0.00 0.00 0.00 179.25 179.43 1mr2 h GLY 172 N 0.21 0.48 0.92 0.00 0.00 -1.00 -1.61 103.07 102.07 1mr2 h GLY 172 Ca 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1mr2 h GLY 172 CO -0.12 0.36 -0.09 -2.08 0.00 0.00 0.00 176.54 174.62 1mr2 h VAL 173 N 0.18 0.86 0.00 4.60 2.07 -0.73 -1.58 116.25 121.65 1mr2 h VAL 173 Ca 0.06 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1mr2 h VAL 173 Cb 0.52 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1mr2 h VAL 173 CO 0.02 0.04 -0.33 -0.07 0.02 0.00 0.00 177.57 177.25 1mr2 h LEU 174 N -0.32 0.00 -0.03 2.57 3.38 -1.26 -1.72 115.31 117.93 1mr2 h LEU 174 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1mr2 h LEU 174 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1mr2 h LEU 174 CO 0.04 0.33 -0.04 0.00 0.09 0.00 0.00 178.44 178.86 1mr2 h ALA 175 N 1.67 0.04 0.00 1.53 0.00 -1.12 -2.32 119.26 119.06 1mr2 h ALA 175 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1mr2 h ALA 175 Cb 0.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1mr2 h ALA 175 CO 0.04 -0.15 -0.03 -0.24 0.00 0.00 0.00 179.25 178.88 1mr2 h VAL 176 N -0.45 0.10 -0.01 0.00 3.04 -1.23 -1.23 116.25 116.47 1mr2 h VAL 176 Ca 0.00 -0.39 -0.17 0.00 -1.01 0.00 0.00 66.70 65.13 1mr2 h VAL 176 Cb 0.59 1.35 -0.02 0.00 -2.01 0.00 0.00 31.29 31.21 1mr2 h VAL 176 CO 0.01 0.03 -0.76 -0.74 -1.01 0.00 0.00 177.57 175.10 1mr2 h HIS 177 N 0.00 0.17 -0.07 3.17 6.17 -1.09 0.16 115.15 123.66 1mr2 h HIS 177 Ca -0.00 -0.08 -0.14 0.00 0.71 0.00 0.00 60.37 60.85 1mr2 h HIS 177 Cb 0.35 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.24 1mr2 h HIS 177 CO 0.00 0.83 -0.59 0.00 0.71 0.00 0.00 177.93 178.88 1mr2 h ALA 178 N 1.15 0.86 -0.05 5.26 0.00 -0.68 -2.58 119.26 123.21 1mr2 h ALA 178 Ca -0.02 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 1mr2 h ALA 178 Cb 1.33 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.05 1mr2 h ALA 178 CO 0.11 0.72 -0.55 0.28 0.00 0.00 0.00 179.25 179.81 1mr2 h VAL 179 N 0.18 1.40 0.00 0.00 2.07 -1.14 0.14 116.25 118.90 1mr2 h VAL 179 Ca -0.00 -1.95 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 1mr2 h VAL 179 Cb 1.09 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1mr2 h VAL 179 CO 0.09 0.57 -0.06 0.71 0.02 0.00 0.00 177.57 178.90 1mr2 h THR 180 N -0.00 0.30 -0.02 2.57 1.35 -0.64 -1.24 112.91 115.23 1mr2 h THR 180 Ca -0.05 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1mr2 h THR 180 Cb 1.22 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1mr2 h THR 180 CO 0.11 0.06 -0.00 0.35 -0.25 0.00 0.00 175.52 175.79 1mr2 n THR 181 N -3.37 0.00 -0.77 6.82 -2.24 -0.98 -4.93 114.28 108.81 1mr2 n THR 181 Ca -0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1mr2 n THR 181 Cb 0.22 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1mr2 n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mr2 n GLY 182 N 1.23 1.15 0.19 3.38 0.00 -0.47 -4.92 105.19 105.76 1mr2 n GLY 182 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1mr2 n GLY 182 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mr2 h PHE 183 N 0.00 0.64 -4.56 1.61 3.57 -0.99 -3.47 116.94 113.75 1mr2 h PHE 183 Ca 0.00 -0.09 -0.45 0.00 3.53 0.00 0.00 57.97 60.95 1mr2 h PHE 183 Cb 0.00 -0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.47 1mr2 h PHE 183 CO 0.00 0.66 -0.37 0.00 -2.23 0.00 0.00 178.31 176.37 1mr2 n ALA 184 N -2.36 0.45 -2.61 2.41 0.00 -0.57 -4.97 120.51 112.85 1mr2 n ALA 184 Ca -0.01 -1.68 -0.20 0.00 0.00 0.00 0.00 53.44 51.56 1mr2 n ALA 184 Cb 0.23 1.11 -0.12 0.00 0.00 0.00 0.00 19.45 20.67 1mr2 n ALA 184 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1mr2 s GLN 185 N -3.27 0.95 0.14 0.00 -1.52 -1.26 -4.31 119.66 110.39 1mr2 s GLN 185 Ca 0.15 -1.08 -0.02 0.00 -1.95 0.00 0.00 55.36 52.45 1mr2 s GLN 185 Cb 0.01 -0.98 0.03 0.00 -0.22 0.00 0.00 33.01 31.85 1mr2 s GLN 185 CO 0.10 0.21 0.14 -2.30 -0.25 0.00 0.00 175.29 173.20 1mr2 n PRO 186 N 1.02 -0.86 -4.00 2.91 -0.02 -1.26 -5.01 135.00 127.78 1mr2 n PRO 186 Ca -0.19 -0.22 -0.08 0.00 -2.02 0.00 0.00 63.50 60.98 1mr2 n PRO 186 Cb 0.55 -0.18 -0.09 0.00 -0.02 0.00 0.00 33.50 33.76 1mr2 n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1mr2 s ARG 187 N -3.31 0.82 0.75 -0.52 0.52 0.53 -4.94 118.95 112.80 1mr2 s ARG 187 Ca 0.09 -1.15 -0.15 0.00 -0.52 0.00 0.00 55.73 54.00 1mr2 s ARG 187 Cb -0.01 0.29 0.05 0.00 0.52 0.00 0.00 34.95 35.80 1mr2 s ARG 187 CO 0.06 -0.23 1.22 -2.14 0.02 0.00 0.00 175.30 174.23 1mr2 s PRO 188 N -3.93 2.01 0.47 3.54 0.02 -1.26 0.74 135.00 136.59 1mr2 s PRO 188 Ca 0.10 1.79 0.24 0.00 0.02 0.00 0.00 61.00 63.15 1mr2 s PRO 188 Cb 0.06 -1.81 1.17 0.00 0.02 0.00 0.00 34.50 33.93 1mr2 s PRO 188 CO -0.07 -1.94 1.96 -0.07 -0.33 0.00 0.00 177.00 176.54 1mr2 h LEU 189 N -0.42 0.00 -0.47 -5.54 3.38 -1.92 -2.47 115.31 107.86 1mr2 h LEU 189 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1mr2 h LEU 189 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1mr2 h LEU 189 CO 0.49 0.20 0.00 -0.90 0.09 0.00 0.00 178.44 178.32 1mr2 n ASP 190 N -3.64 0.70 -4.68 -0.43 5.68 -1.26 -4.88 116.55 108.04 1mr2 n ASP 190 Ca -0.01 -1.75 -0.45 0.00 -0.50 0.00 0.00 54.79 52.08 1mr2 n ASP 190 Cb 0.32 -0.07 -0.04 0.00 -1.14 0.00 0.00 41.12 40.20 1mr2 n ASP 190 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1mr2 n THR 191 N -0.23 0.16 -1.85 2.12 -1.04 -0.93 -4.86 114.28 107.64 1mr2 n THR 191 Ca 0.10 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 1mr2 n THR 191 Cb 0.14 -1.62 -0.02 0.00 -1.82 0.00 0.00 70.33 67.01 1mr2 n THR 191 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1mr2 s GLU 192 N 0.73 4.17 -0.93 -2.82 -1.05 -1.26 -4.93 118.70 112.61 1mr2 s GLU 192 Ca 0.76 2.47 -0.08 0.00 -0.15 0.00 0.00 54.97 57.97 1mr2 s GLU 192 Cb -0.64 -3.09 0.24 0.00 -0.44 0.00 0.00 34.13 30.20 1mr2 s GLU 192 CO 0.39 -0.62 0.87 -0.46 0.95 0.00 0.00 175.26 176.39 1mr2 s TRP 193 N 0.62 3.96 0.17 4.83 -0.00 -1.26 -4.96 118.94 122.30 1mr2 s TRP 193 Ca 0.67 -2.56 -0.27 0.00 -0.00 0.00 0.00 56.10 53.94 1mr2 s TRP 193 Cb -0.46 -3.64 0.02 0.00 -0.00 0.00 0.00 33.47 29.38 1mr2 s TRP 193 CO 0.38 -0.91 1.56 0.82 -0.00 0.00 0.00 176.95 178.81 1mr2 h ILE 194 N 4.24 0.06 -0.33 5.86 2.04 -2.03 -2.77 117.51 124.58 1mr2 h ILE 194 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1mr2 h ILE 194 Cb 0.92 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1mr2 h ILE 194 CO 0.87 0.00 0.01 0.47 0.00 0.00 0.00 178.15 179.50 1mr2 n ASP 195 N -5.39 3.65 -4.66 1.72 8.00 -1.26 -4.95 116.55 113.65 1mr2 n ASP 195 Ca 0.02 -2.53 -0.50 0.00 0.71 0.00 0.00 54.79 52.49 1mr2 n ASP 195 Cb 0.34 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.78 1mr2 n ASP 195 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1mr2 n ARG 196 N 0.33 1.79 -1.71 -1.24 0.63 -1.05 -4.51 116.66 110.89 1mr2 n ARG 196 Ca 0.16 0.65 -0.34 0.00 -0.92 0.00 0.00 57.85 57.40 1mr2 n ARG 196 Cb 0.79 -2.40 0.06 0.00 0.45 0.00 0.00 32.46 31.36 1mr2 n ARG 196 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1mr2 s PRO 197 N 2.21 2.61 0.00 -0.14 0.02 -1.26 -4.95 135.00 133.49 1mr2 s PRO 197 Ca 0.87 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1mr2 s PRO 197 Cb -0.80 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 31.81 1mr2 s PRO 197 CO 0.48 -1.44 0.00 0.25 -0.33 0.00 0.00 177.00 175.96 1mr2 n THR 198 N -2.31 0.00 0.18 0.99 -2.24 -1.26 -4.91 114.28 104.73 1mr2 n THR 198 Ca 0.12 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.74 1mr2 n THR 198 Cb 0.51 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.65 1mr2 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr2 h ALA 199 N 0.00 -0.90 -0.46 6.98 0.00 -1.92 -0.48 119.26 122.48 1mr2 h ALA 199 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1mr2 h ALA 199 Cb 0.00 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1mr2 h ALA 199 CO 0.00 -1.06 0.28 0.35 0.00 0.00 0.00 179.25 178.82 1mr2 h PHE 200 N -0.79 0.59 -0.01 0.00 3.57 -1.87 -2.35 116.94 116.09 1mr2 h PHE 200 Ca -0.01 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1mr2 h PHE 200 Cb 0.75 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1mr2 h PHE 200 CO -0.32 0.41 -0.24 0.00 -2.23 0.00 0.00 178.31 175.92 1mr2 h ALA 201 N 1.14 1.58 0.00 2.41 0.00 -1.83 -1.71 119.26 120.85 1mr2 h ALA 201 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1mr2 h ALA 201 Cb -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1mr2 h ALA 201 CO -0.03 0.32 -0.12 0.00 0.00 0.00 0.00 179.25 179.41 1mr2 h ALA 202 N 1.74 1.01 -0.26 0.00 0.00 -0.55 -2.76 119.26 118.44 1mr2 h ALA 202 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1mr2 h ALA 202 Cb 0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1mr2 h ALA 202 CO 0.03 0.16 -0.23 0.00 0.00 0.00 0.00 179.25 179.21 1mr2 h ARG 203 N 0.00 0.62 -6.08 0.00 3.08 -0.99 -3.47 114.38 107.55 1mr2 h ARG 203 Ca -0.00 -0.32 -0.41 0.00 0.07 0.00 0.00 59.98 59.32 1mr2 h ARG 203 Cb 0.67 0.01 0.06 0.00 0.08 0.00 0.00 29.97 30.78 1mr2 h ARG 203 CO 0.02 0.91 -0.83 0.54 -1.07 0.00 0.00 179.97 179.54 1mr2 n ARG 204 N -4.35 -4.78 -0.30 0.04 1.74 -1.04 -4.82 116.66 103.15 1mr2 n ARG 204 Ca -0.04 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 1mr2 n ARG 204 Cb 0.43 -5.17 0.00 0.00 -1.02 0.00 0.00 32.46 26.71 1mr2 n ARG 204 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mr2 n ALA 205 N -4.25 3.13 -2.38 7.54 0.00 -1.26 -4.82 120.51 118.46 1mr2 n ALA 205 Ca -0.29 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 52.96 1mr2 n ALA 205 Cb 0.68 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 1mr2 n ALA 205 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1mr2 s GLU 206 N 0.48 1.48 0.00 0.00 -1.05 -1.26 -5.14 118.70 113.22 1mr2 s GLU 206 Ca 0.00 -1.78 0.00 0.00 -0.15 0.00 0.00 54.97 53.04 1mr2 s GLU 206 Cb 0.00 -0.73 0.00 0.00 -0.44 0.00 0.00 34.13 32.96 1mr2 s GLU 206 CO 0.00 -0.13 0.00 -2.13 0.95 0.00 0.00 175.26 173.95