#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c45 s LEU 2 N 0.00 2.99 0.07 3.17 1.43 -1.26 -0.42 118.68 124.66 2c45 s LEU 2 Ca 0.00 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2c45 s LEU 2 Cb 0.00 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2c45 s LEU 2 CO 0.00 -0.05 0.02 -0.13 0.23 0.00 0.00 176.35 176.42 2c45 s ARG 3 N 1.46 2.66 -0.17 1.70 0.52 -0.40 -4.84 118.95 119.89 2c45 s ARG 3 Ca 0.05 -0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 54.37 2c45 s ARG 3 Cb -0.15 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 32.67 2c45 s ARG 3 CO -0.03 0.56 0.26 -0.08 0.02 0.00 0.00 175.30 176.03 2c45 s THR 4 N -1.28 5.33 0.03 0.02 -1.32 -1.26 0.72 115.64 117.87 2c45 s THR 4 Ca 0.25 0.47 -0.04 0.00 -1.21 0.00 0.00 61.69 61.17 2c45 s THR 4 Cb -0.12 -3.60 -0.02 0.00 -1.51 0.00 0.00 72.50 67.26 2c45 s THR 4 CO 0.18 0.40 0.05 -0.04 -2.21 0.00 0.00 174.62 173.00 2c45 s MET 5 N 0.43 0.50 -0.33 7.08 1.00 0.14 -4.87 119.30 123.26 2c45 s MET 5 Ca 0.15 -0.72 -0.31 0.00 0.00 0.00 0.00 55.69 54.81 2c45 s MET 5 Cb -0.13 0.19 -0.08 0.00 0.00 0.00 0.00 34.83 34.81 2c45 s MET 5 CO 0.03 -0.11 2.25 -0.11 0.00 0.00 0.00 175.02 177.07 2c45 n LEU 6 N 1.01 2.58 -0.06 -0.03 7.94 -1.26 -1.88 117.00 125.29 2c45 n LEU 6 Ca -0.20 0.21 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 2c45 n LEU 6 Cb 0.57 -1.42 -0.13 0.00 0.53 0.00 0.00 43.42 42.98 2c45 n LEU 6 CO 0.22 -0.81 -1.07 1.17 -1.11 0.00 0.00 177.39 175.79 2c45 n LYS 7 N 8.55 0.70 -3.63 1.96 4.81 0.07 -4.60 118.16 126.02 2c45 n LYS 7 Ca 0.37 0.20 -0.12 0.00 -0.87 0.00 0.00 58.31 57.89 2c45 n LYS 7 Cb 0.35 -1.62 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 2c45 n LYS 7 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2c45 s SER 8 N -6.74 -0.31 -0.30 3.14 1.04 0.06 -1.92 113.70 108.68 2c45 s SER 8 Ca -0.28 -0.07 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 2c45 s SER 8 Cb 0.08 0.46 0.12 0.00 0.10 0.00 0.00 66.02 66.78 2c45 s SER 8 CO 0.69 -0.75 0.70 -0.75 0.98 0.00 0.00 173.24 174.12 2c45 s LYS 9 N -2.96 0.57 -0.54 4.02 2.20 -0.93 -0.69 119.74 121.41 2c45 s LYS 9 Ca -0.02 1.31 -0.19 0.00 -0.36 0.00 0.00 55.97 56.71 2c45 s LYS 9 Cb 0.00 0.67 0.07 0.00 -1.51 0.00 0.00 37.83 37.06 2c45 s LYS 9 CO -0.06 -0.18 0.65 0.42 -0.36 0.00 0.00 175.35 175.83 2c45 s ILE 10 N 2.57 4.85 -0.35 5.43 1.01 -0.65 -0.81 121.20 133.25 2c45 s ILE 10 Ca -0.06 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 2c45 s ILE 10 Cb -0.10 -4.37 0.02 0.00 0.01 0.00 0.00 42.46 38.03 2c45 s ILE 10 CO -0.19 -0.92 1.08 -2.28 0.00 0.00 0.00 174.94 172.63 2c45 s HIS 11 N 2.66 3.08 -0.97 3.97 2.46 0.36 -2.48 115.29 124.36 2c45 s HIS 11 Ca 0.14 1.09 -0.04 0.00 0.47 0.00 0.00 55.06 56.72 2c45 s HIS 11 Cb -0.21 -3.83 0.00 0.00 -0.13 0.00 0.00 32.58 28.42 2c45 s HIS 11 CO 0.10 -0.86 0.52 0.54 -2.47 0.00 0.00 174.74 172.56 2c45 n ARG 12 N 7.05 -3.84 -1.98 2.88 1.74 -1.21 -3.17 116.66 118.13 2c45 n ARG 12 Ca 0.12 0.58 -0.32 0.00 -0.77 0.00 0.00 57.85 57.45 2c45 n ARG 12 Cb 0.47 -4.77 0.02 0.00 -1.02 0.00 0.00 32.46 27.16 2c45 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c45 s ALA 13 N -3.03 2.73 -0.14 7.54 0.00 -1.12 -4.76 121.76 122.97 2c45 s ALA 13 Ca 0.26 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 2c45 s ALA 13 Cb -0.11 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2c45 s ALA 13 CO 0.32 -0.87 0.08 0.99 0.00 0.00 0.00 175.76 176.27 2c45 s THR 14 N -2.53 4.93 -0.47 0.00 2.01 -1.26 -1.62 115.64 116.71 2c45 s THR 14 Ca 0.63 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 62.36 2c45 s THR 14 Cb -0.16 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2c45 s THR 14 CO 0.39 0.55 1.91 -0.69 -0.69 0.00 0.00 174.62 176.09 2c45 s VAL 15 N -0.39 3.36 0.00 3.82 1.01 0.49 -4.73 120.40 123.96 2c45 s VAL 15 Ca 0.10 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2c45 s VAL 15 Cb -0.12 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2c45 s VAL 15 CO 0.02 -0.57 0.91 0.41 0.00 0.00 0.00 175.10 175.86 2c45 n THR 16 N 7.40 0.00 -4.15 3.92 -1.04 -0.81 -1.23 114.28 118.37 2c45 n THR 16 Ca 0.24 1.41 -0.07 0.00 -2.04 0.00 0.00 64.05 63.58 2c45 n THR 16 Cb 0.50 -2.30 -0.02 0.00 -1.82 0.00 0.00 70.33 66.69 2c45 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2c45 s ALA 18 N -2.24 -2.62 -0.06 0.00 0.00 -1.26 -3.51 121.76 112.08 2c45 s ALA 18 Ca 0.02 2.05 -0.02 0.00 0.00 0.00 0.00 51.96 54.00 2c45 s ALA 18 Cb 0.00 -1.94 0.03 0.00 0.00 0.00 0.00 23.12 21.22 2c45 s ALA 18 CO 0.02 -0.49 0.06 0.34 0.00 0.00 0.00 175.76 175.68 2c45 s ASP 19 N 1.46 1.31 0.13 0.00 2.15 -0.96 -4.97 116.67 115.79 2c45 s ASP 19 Ca -0.07 -0.01 -0.18 0.00 0.43 0.00 0.00 52.55 52.72 2c45 s ASP 19 Cb -0.03 -0.17 -0.03 0.00 -0.30 0.00 0.00 42.92 42.39 2c45 s ASP 19 CO -0.13 -0.26 1.79 0.25 -0.17 0.00 0.00 175.17 176.65 2c45 h LEU 20 N 8.43 0.33-10.29 -1.34 5.85 -1.93 0.91 115.31 117.28 2c45 h LEU 20 Ca -0.13 -0.01 -0.49 0.00 0.84 0.00 0.00 57.88 58.08 2c45 h LEU 20 Cb 1.12 -0.08 0.03 0.00 0.37 0.00 0.00 40.66 42.10 2c45 h LEU 20 CO 0.17 0.25 0.16 -1.00 -0.34 0.00 0.00 178.44 177.68 2c45 s HIS 21 N -6.15 3.56 0.29 1.25 3.76 -1.26 -2.96 115.29 113.78 2c45 s HIS 21 Ca -0.13 0.92 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 2c45 s HIS 21 Cb 0.09 -2.39 0.00 0.00 1.11 0.00 0.00 32.58 31.40 2c45 s HIS 21 CO 0.71 -0.32 0.00 0.98 -0.85 0.00 0.00 174.74 175.26 2c45 n TYR 22 N -2.20 -4.26 -4.08 1.40 9.36 -1.26 -4.50 117.16 111.63 2c45 n TYR 22 Ca 0.02 2.33 -0.30 0.00 3.32 0.00 0.00 57.90 63.26 2c45 n TYR 22 Cb 0.55 -3.44 -0.07 0.00 -0.63 0.00 0.00 39.34 35.75 2c45 n TYR 22 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2c45 s VAL 23 N -1.44 4.36 0.00 2.97 1.01 -1.26 -3.75 120.40 122.29 2c45 s VAL 23 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2c45 s VAL 23 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2c45 s VAL 23 CO 0.00 0.10 0.38 0.61 0.00 0.00 0.00 175.10 176.19 2c45 n GLY 24 N 0.42 0.23 7.00 4.51 0.00 -1.25 -5.02 105.19 111.08 2c45 n GLY 24 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2c45 n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c45 n SER 25 N 0.00 0.00 -4.07 1.61 3.41 -1.22 -3.58 113.62 109.77 2c45 n SER 25 Ca -0.07 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.22 2c45 n SER 25 Cb 0.36 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.15 2c45 n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2c45 s VAL 26 N 0.00 1.79 -0.28 -3.33 1.01 -1.20 0.12 120.40 118.51 2c45 s VAL 26 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 2c45 s VAL 26 Cb 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2c45 s VAL 26 CO 0.00 0.50 0.18 0.42 0.00 0.00 0.00 175.10 176.19 2c45 s THR 27 N 1.36 5.16 -0.01 3.92 -4.23 -0.55 0.13 115.64 121.43 2c45 s THR 27 Ca 0.04 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 2c45 s THR 27 Cb -0.13 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 2c45 s THR 27 CO -0.11 0.24 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.54 2c45 s ILE 28 N 1.74 3.84 -0.00 2.99 1.01 0.54 -2.20 121.20 129.11 2c45 s ILE 28 Ca 0.07 -0.68 -0.37 0.00 0.00 0.00 0.00 60.65 59.67 2c45 s ILE 28 Cb -0.16 -2.68 -0.15 0.00 0.01 0.00 0.00 42.46 39.48 2c45 s ILE 28 CO 0.10 0.41 1.53 -0.67 0.00 0.00 0.00 174.94 176.31 2c45 n ASP 29 N 1.56 2.26 -0.26 3.58 -0.08 -0.76 0.17 116.55 123.02 2c45 n ASP 29 Ca -0.15 1.09 -0.02 0.00 -1.51 0.00 0.00 54.79 54.19 2c45 n ASP 29 Cb 0.53 -1.24 0.04 0.00 2.34 0.00 0.00 41.12 42.79 2c45 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c45 h ALA 30 N 5.89 0.16 -0.95 -1.67 0.00 -1.50 0.35 119.26 121.53 2c45 h ALA 30 Ca -0.47 0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.83 2c45 h ALA 30 Cb 1.31 0.78 -0.08 0.00 0.00 0.00 0.00 17.79 19.80 2c45 h ALA 30 CO 0.86 -0.59 0.60 -0.44 0.00 0.00 0.00 179.25 179.68 2c45 h ASP 31 N -0.08 0.72 -0.46 0.00 3.32 -1.88 -1.75 116.42 116.28 2c45 h ASP 31 Ca 0.30 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.27 2c45 h ASP 31 Cb 0.57 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2c45 h ASP 31 CO -0.78 0.33 -0.23 -0.07 -1.72 0.00 0.00 179.24 176.77 2c45 h LEU 32 N 0.75 1.01 -0.95 1.55 3.38 -0.67 0.24 115.31 120.61 2c45 h LEU 32 Ca 0.50 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2c45 h LEU 32 Cb 0.78 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2c45 h LEU 32 CO -0.27 1.18 0.01 0.24 0.09 0.00 0.00 178.44 179.69 2c45 h MET 33 N 0.85 0.77 0.01 1.13 2.86 -0.66 0.17 114.93 120.06 2c45 h MET 33 Ca 0.11 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2c45 h MET 33 Cb 0.80 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2c45 h MET 33 CO 0.07 0.78 -0.01 -0.44 1.06 0.00 0.00 176.91 178.37 2c45 h ASP 34 N 0.72 -0.02 -0.45 1.22 3.32 -1.35 1.97 116.42 121.84 2c45 h ASP 34 Ca 0.14 -0.68 0.08 0.00 0.02 0.00 0.00 57.03 56.59 2c45 h ASP 34 Cb 0.43 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 2c45 h ASP 34 CO 0.02 0.69 0.03 0.00 -1.72 0.00 0.00 179.24 178.26 2c45 h ALA 35 N 0.22 0.44 -0.07 3.45 0.00 -0.88 0.30 119.26 122.72 2c45 h ALA 35 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2c45 h ALA 35 Cb 0.70 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2c45 h ALA 35 CO 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.89 2c45 n ALA 36 N -2.57 2.57 -3.05 0.00 0.00 0.58 -4.86 120.51 113.18 2c45 n ALA 36 Ca 0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 2c45 n ALA 36 Cb 0.23 -1.18 0.01 0.00 0.00 0.00 0.00 19.45 18.51 2c45 n ALA 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2c45 n ASP 37 N 0.03 -7.09 -3.94 0.00 2.03 0.15 -4.66 116.55 103.06 2c45 n ASP 37 Ca 0.18 0.56 -0.12 0.00 0.52 0.00 0.00 54.79 55.93 2c45 n ASP 37 Cb 0.29 -3.69 -0.13 0.00 -0.72 0.00 0.00 41.12 36.88 2c45 n ASP 37 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2c45 s LEU 38 N -2.01 2.11 -0.09 -2.67 1.43 0.62 -4.88 118.68 113.20 2c45 s LEU 38 Ca 0.17 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2c45 s LEU 38 Cb -0.03 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.14 2c45 s LEU 38 CO 0.65 -0.11 -0.02 -0.76 0.23 0.00 0.00 176.35 176.33 2c45 s LEU 39 N -0.67 3.44 -0.27 1.79 1.43 -1.26 -4.50 118.68 118.64 2c45 s LEU 39 Ca -0.06 0.07 -0.36 0.00 -1.03 0.00 0.00 54.13 52.75 2c45 s LEU 39 Cb -0.05 -1.78 -0.12 0.00 0.03 0.00 0.00 46.19 44.27 2c45 s LEU 39 CO -0.00 0.35 2.01 1.21 0.23 0.00 0.00 176.35 180.14 2c45 n GLU 40 N 2.35 1.39 -0.66 1.70 2.13 -1.26 -3.17 120.64 123.10 2c45 n GLU 40 Ca -0.18 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2c45 n GLU 40 Cb 0.53 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.80 2c45 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c45 n GLY 41 N 5.45 -1.27 3.59 8.31 0.00 0.16 -4.98 105.19 116.45 2c45 n GLY 41 Ca 0.33 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.78 2c45 n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c45 s GLU 42 N -0.25 0.12 -0.09 1.61 2.12 -1.19 -4.84 118.70 116.19 2c45 s GLU 42 Ca 0.00 0.22 -0.35 0.00 0.36 0.00 0.00 54.97 55.20 2c45 s GLU 42 Cb 0.00 0.04 -0.12 0.00 0.26 0.00 0.00 34.13 34.31 2c45 s GLU 42 CO 0.00 -0.03 1.84 0.94 -0.54 0.00 0.00 175.26 177.47 2c45 n GLN 43 N 3.42 2.05 -4.59 4.30 7.27 -1.26 -1.87 117.38 126.71 2c45 n GLN 43 Ca -0.16 0.75 -0.24 0.00 0.07 0.00 0.00 57.00 57.42 2c45 n GLN 43 Cb 0.56 -2.57 -0.14 0.00 2.41 0.00 0.00 30.24 30.50 2c45 n GLN 43 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2c45 s VAL 44 N 3.75 1.54 0.07 1.69 1.01 1.36 -4.64 120.40 125.19 2c45 s VAL 44 Ca 0.92 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2c45 s VAL 44 Cb -0.74 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2c45 s VAL 44 CO 0.52 0.17 0.05 -0.89 0.00 0.00 0.00 175.10 174.95 2c45 s THR 45 N -0.79 4.34 -0.02 3.92 2.01 0.74 -0.04 115.64 125.80 2c45 s THR 45 Ca 0.06 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.30 2c45 s THR 45 Cb -0.09 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 2c45 s THR 45 CO 0.02 0.16 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.35 2c45 s ILE 46 N -1.32 1.02 -0.07 1.82 1.01 -0.35 -1.11 121.20 122.19 2c45 s ILE 46 Ca 0.27 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 2c45 s ILE 46 Cb -0.12 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.51 2c45 s ILE 46 CO 0.19 0.29 -0.03 0.68 0.00 0.00 0.00 174.94 176.07 2c45 s VAL 47 N -0.19 0.60 -0.52 2.92 -7.23 -0.38 -1.96 120.40 113.65 2c45 s VAL 47 Ca 0.03 -0.06 -0.20 0.00 -1.81 0.00 0.00 61.98 59.93 2c45 s VAL 47 Cb -0.06 -0.68 0.05 0.00 0.56 0.00 0.00 36.38 36.25 2c45 s VAL 47 CO -0.00 0.28 0.71 -0.62 -0.31 0.00 0.00 175.10 175.16 2c45 s ASP 48 N 1.59 6.25 0.36 4.85 3.68 -0.85 -0.01 116.67 132.54 2c45 s ASP 48 Ca 0.00 -0.77 0.07 0.00 2.13 0.00 0.00 52.55 53.98 2c45 s ASP 48 Cb -0.13 -2.33 0.76 0.00 -1.45 0.00 0.00 42.92 39.77 2c45 s ASP 48 CO -0.04 -0.98 1.94 0.40 0.13 0.00 0.00 175.17 176.61 2c45 h ILE 49 N 5.90 0.98 0.00 4.11 5.03 -0.87 1.01 117.51 133.67 2c45 h ILE 49 Ca -0.27 -0.26 -0.10 0.00 -0.12 0.00 0.00 64.86 64.11 2c45 h ILE 49 Cb 1.09 0.17 -0.01 0.00 -3.03 0.00 0.00 36.82 35.03 2c45 h ILE 49 CO 1.00 0.14 -0.46 0.44 -0.68 0.00 0.00 178.15 178.58 2c45 h ASP 50 N 0.75 0.00 0.00 1.72 5.19 -1.93 -3.37 116.42 118.78 2c45 h ASP 50 Ca 0.35 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.63 2c45 h ASP 50 Cb 0.37 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 39.63 2c45 h ASP 50 CO -0.13 0.46 -0.77 -0.46 -3.12 0.00 0.00 179.24 175.23 2c45 n ASN 51 N -3.64 0.47 -1.76 6.45 0.23 -0.82 -5.04 115.26 111.16 2c45 n ASN 51 Ca -0.01 -1.95 -0.08 0.00 -0.53 0.00 0.00 54.58 52.01 2c45 n ASN 51 Cb 0.55 -0.19 -0.02 0.00 -2.08 0.00 0.00 39.78 38.04 2c45 n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2c45 n GLY 52 N 0.30 0.23 3.78 4.83 0.00 0.34 -4.94 105.19 109.73 2c45 n GLY 52 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2c45 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c45 s ALA 53 N -1.99 2.17 -0.19 4.61 0.00 -1.24 -4.76 121.76 120.37 2c45 s ALA 53 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 2c45 s ALA 53 Cb 0.00 -3.19 0.09 0.00 0.00 0.00 0.00 23.12 20.02 2c45 s ALA 53 CO 0.00 -1.78 0.35 1.03 0.00 0.00 0.00 175.76 175.35 2c45 s ARG 54 N -5.00 0.26 0.19 0.00 0.52 -1.26 -2.00 118.95 111.67 2c45 s ARG 54 Ca 0.61 0.78 0.07 0.00 -0.52 0.00 0.00 55.73 56.67 2c45 s ARG 54 Cb -0.16 -0.06 -0.05 0.00 0.52 0.00 0.00 34.95 35.20 2c45 s ARG 54 CO 0.56 -0.37 -0.13 -0.51 0.02 0.00 0.00 175.30 174.86 2c45 s LEU 55 N 2.52 2.54 -0.14 2.53 1.43 -0.83 -4.96 118.68 121.77 2c45 s LEU 55 Ca 0.03 -1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2c45 s LEU 55 Cb -0.13 -0.60 0.04 0.00 0.03 0.00 0.00 46.19 45.53 2c45 s LEU 55 CO -0.12 -0.21 -0.02 -0.69 0.23 0.00 0.00 176.35 175.53 2c45 s VAL 56 N -3.05 0.79 0.36 -1.59 1.01 -1.26 -1.22 120.40 115.44 2c45 s VAL 56 Ca 0.22 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 2c45 s VAL 56 Cb 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.40 2c45 s VAL 56 CO 0.06 0.13 0.59 1.07 0.00 0.00 0.00 175.10 176.94 2c45 n THR 57 N 4.99 0.00 -2.51 3.92 5.66 0.94 -4.93 114.28 122.35 2c45 n THR 57 Ca -0.10 -1.48 -0.25 0.00 -3.05 0.00 0.00 64.05 59.18 2c45 n THR 57 Cb 0.49 1.04 0.04 0.00 -1.55 0.00 0.00 70.33 70.35 2c45 n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2c45 s TYR 58 N -2.73 3.08 -0.02 1.09 1.13 -1.26 0.41 117.35 119.05 2c45 s TYR 58 Ca 0.24 0.38 0.04 0.00 -1.41 0.00 0.00 57.07 56.32 2c45 s TYR 58 Cb -0.02 -2.77 -0.03 0.00 -1.10 0.00 0.00 41.96 38.03 2c45 s TYR 58 CO 0.17 -0.89 -0.12 0.00 -2.51 0.00 0.00 175.55 172.20 2c45 s ALA 59 N -2.92 2.79 -0.10 9.51 0.00 -0.78 -3.25 121.76 127.01 2c45 s ALA 59 Ca 0.55 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.53 2c45 s ALA 59 Cb -0.10 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.01 2c45 s ALA 59 CO 0.42 0.58 -0.24 0.42 0.00 0.00 0.00 175.76 176.94 2c45 s ILE 60 N -0.86 2.05 -0.03 0.00 1.01 0.34 0.38 121.20 124.09 2c45 s ILE 60 Ca 0.14 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 2c45 s ILE 60 Cb -0.11 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 2c45 s ILE 60 CO 0.04 0.56 1.64 -0.89 0.00 0.00 0.00 174.94 176.28 2c45 s THR 61 N 0.35 3.50 0.34 2.92 2.01 -1.26 0.20 115.64 123.70 2c45 s THR 61 Ca -0.19 0.70 0.05 0.00 0.31 0.00 0.00 61.69 62.56 2c45 s THR 61 Cb -0.18 -3.45 0.05 0.00 0.01 0.00 0.00 72.50 68.93 2c45 s THR 61 CO 0.09 -0.05 0.42 0.61 -0.69 0.00 0.00 174.62 175.00 2c45 n GLY 62 N 4.07 2.17 3.79 4.40 0.00 0.45 -4.76 105.19 115.31 2c45 n GLY 62 Ca 0.17 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 2c45 n GLY 62 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c45 s GLU 63 N -3.50 3.69 0.54 1.61 2.12 -1.26 -2.29 118.70 119.61 2c45 s GLU 63 Ca 0.32 1.40 -0.19 0.00 0.36 0.00 0.00 54.97 56.86 2c45 s GLU 63 Cb -0.03 -2.07 -0.06 0.00 0.26 0.00 0.00 34.13 32.23 2c45 s GLU 63 CO 0.20 -0.53 1.11 1.03 -0.54 0.00 0.00 175.26 176.54 2c45 s ARG 64 N -3.29 3.38 0.00 4.30 0.52 -1.26 -3.55 118.95 119.05 2c45 s ARG 64 Ca 0.68 1.55 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 2c45 s ARG 64 Cb -0.18 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.28 2c45 s ARG 64 CO 0.22 -0.81 0.00 0.41 0.02 0.00 0.00 175.30 175.14 2c45 n GLY 65 N 0.03 0.44 0.00 -3.53 0.00 -1.26 -4.61 105.19 96.27 2c45 n GLY 65 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 2c45 n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c45 n SER 66 N 0.04 0.01 -2.51 1.61 3.41 -1.24 -4.78 113.62 110.17 2c45 n SER 66 Ca 0.00 0.51 -0.14 0.00 -0.26 0.00 0.00 58.87 58.97 2c45 n SER 66 Cb 0.00 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2c45 n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c45 n GLY 67 N -1.21 -0.50 3.77 5.00 0.00 -1.26 -4.88 105.19 106.10 2c45 n GLY 67 Ca 0.01 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2c45 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c45 s VAL 68 N -2.70 2.81 -0.48 1.61 1.01 -1.26 -4.76 120.40 116.62 2c45 s VAL 68 Ca 0.03 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.68 2c45 s VAL 68 Cb -0.02 -3.32 0.20 0.00 0.00 0.00 0.00 36.38 33.25 2c45 s VAL 68 CO 0.04 0.01 0.83 -0.38 0.00 0.00 0.00 175.10 175.59 2c45 n ILE 69 N -0.53 0.00 -4.04 2.22 5.41 -1.22 -1.83 119.36 119.36 2c45 n ILE 69 Ca 0.08 -0.92 -0.29 0.00 1.00 0.00 0.00 62.75 62.61 2c45 n ILE 69 Cb 0.47 1.00 -0.06 0.00 -0.71 0.00 0.00 39.64 40.34 2c45 n ILE 69 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2c45 s GLY 70 N 0.52 1.95 -0.33 7.39 0.00 -0.93 -1.93 107.32 113.99 2c45 s GLY 70 Ca 0.29 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 2c45 s GLY 70 CO -0.09 -1.03 0.05 -0.42 0.00 0.00 0.00 173.10 171.61 2c45 s ILE 71 N -1.50 2.95 -0.27 0.90 1.01 -1.23 -1.47 121.20 121.59 2c45 s ILE 71 Ca 0.31 -1.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.17 2c45 s ILE 71 Cb -0.12 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 2c45 s ILE 71 CO 0.23 -0.29 0.34 0.20 0.00 0.00 0.00 174.94 175.43 2c45 s ASN 72 N 1.35 6.23 0.44 3.58 -0.87 0.32 -2.28 114.94 123.71 2c45 s ASN 72 Ca -0.01 0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.54 2c45 s ASN 72 Cb -0.20 -2.19 0.00 0.00 -0.02 0.00 0.00 41.25 38.83 2c45 s ASN 72 CO -0.03 -0.15 0.00 0.61 -2.57 0.00 0.00 177.10 174.97 2c45 n GLY 73 N 4.67 -4.18 5.00 0.66 0.00 0.31 -3.40 105.19 108.26 2c45 n GLY 73 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2c45 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c45 n ALA 74 N -0.40 0.00 0.23 4.61 0.00 -1.25 -3.81 120.51 119.90 2c45 n ALA 74 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2c45 n ALA 74 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 2c45 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c45 n ALA 75 N 0.00 1.34 0.32 0.00 0.00 -1.26 -0.85 120.51 120.05 2c45 n ALA 75 Ca 0.00 -0.02 0.21 0.00 0.00 0.00 0.00 53.44 53.62 2c45 n ALA 75 Cb 0.00 -1.10 1.06 0.00 0.00 0.00 0.00 19.45 19.41 2c45 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c45 h ALA 76 N 2.23 1.03 -4.32 0.00 0.00 -1.77 -2.91 119.26 113.53 2c45 h ALA 76 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2c45 h ALA 76 Cb 0.09 -0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.91 2c45 h ALA 76 CO 0.00 0.01 0.05 0.72 0.00 0.00 0.00 179.25 180.03 2c45 n HIS 77 N -3.13 -3.26 0.00 0.00 8.25 -0.03 -4.45 115.22 112.60 2c45 n HIS 77 Ca -0.02 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 2c45 n HIS 77 Cb 0.14 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.95 2c45 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2c45 n LEU 78 N 0.00 0.00 -4.65 2.41 4.77 -1.26 -4.65 117.00 113.62 2c45 n LEU 78 Ca 0.07 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.70 2c45 n LEU 78 Cb 0.23 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.23 2c45 n LEU 78 CO 0.16 0.00 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.25 2c45 s VAL 79 N 0.00 4.54 0.30 4.08 1.01 -1.10 -4.78 120.40 124.46 2c45 s VAL 79 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2c45 s VAL 79 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2c45 s VAL 79 CO 0.00 0.53 0.09 -1.00 0.00 0.00 0.00 175.10 174.72 2c45 s HIS 80 N -0.15 1.72 0.75 5.22 3.76 -1.26 -4.47 115.29 120.86 2c45 s HIS 80 Ca 0.06 -1.14 -0.13 0.00 -0.15 0.00 0.00 55.06 53.70 2c45 s HIS 80 Cb -0.12 -1.06 0.05 0.00 1.11 0.00 0.00 32.58 32.56 2c45 s HIS 80 CO 0.02 -0.24 1.15 -2.14 -0.85 0.00 0.00 174.74 172.68 2c45 s PRO 81 N -3.92 2.12 0.00 8.40 0.02 -1.26 -2.64 135.00 137.72 2c45 s PRO 81 Ca 0.36 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.88 2c45 s PRO 81 Cb 0.07 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.74 2c45 s PRO 81 CO 0.15 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 2c45 n GLY 82 N -0.20 0.54 3.75 0.52 0.00 -0.37 -4.91 105.19 104.53 2c45 n GLY 82 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2c45 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c45 s ASP 83 N -2.45 6.73 -0.32 1.61 1.11 -1.08 -4.80 116.67 117.47 2c45 s ASP 83 Ca 0.00 0.86 -0.23 0.00 0.18 0.00 0.00 52.55 53.37 2c45 s ASP 83 Cb 0.00 -2.28 0.00 0.00 1.07 0.00 0.00 42.92 41.71 2c45 s ASP 83 CO 0.00 0.09 0.74 -0.76 1.18 0.00 0.00 175.17 176.43 2c45 s LEU 84 N 0.13 4.12 0.49 1.23 1.43 -1.26 -0.38 118.68 124.43 2c45 s LEU 84 Ca 0.25 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 2c45 s LEU 84 Cb -0.16 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 2c45 s LEU 84 CO 0.11 -0.61 0.01 0.68 0.23 0.00 0.00 176.35 176.78 2c45 s VAL 85 N 2.90 1.24 -0.02 -1.59 -7.23 -0.64 -0.14 120.40 114.91 2c45 s VAL 85 Ca 0.30 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2c45 s VAL 85 Cb -0.14 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2c45 s VAL 85 CO 0.13 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.21 2c45 s ILE 86 N -2.88 0.73 -0.11 -0.62 1.01 0.98 -2.81 121.20 117.49 2c45 s ILE 86 Ca 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 2c45 s ILE 86 Cb 0.03 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 2c45 s ILE 86 CO 0.06 0.22 -0.03 -0.76 0.00 0.00 0.00 174.94 174.43 2c45 s LEU 87 N 0.10 3.35 -0.01 2.97 1.43 -1.03 -1.25 118.68 124.23 2c45 s LEU 87 Ca -0.01 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2c45 s LEU 87 Cb -0.07 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2c45 s LEU 87 CO 0.00 0.28 -0.06 -0.63 0.23 0.00 0.00 176.35 176.17 2c45 s ILE 88 N -0.30 0.47 -0.17 -0.59 1.01 -0.27 -1.63 121.20 119.72 2c45 s ILE 88 Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 2c45 s ILE 88 Cb -0.12 -0.42 0.05 0.00 0.01 0.00 0.00 42.46 41.98 2c45 s ILE 88 CO 0.02 0.15 0.01 0.00 0.00 0.00 0.00 174.94 175.12 2c45 s ALA 89 N 0.04 1.10 0.76 9.38 0.00 0.14 -0.18 121.76 132.99 2c45 s ALA 89 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2c45 s ALA 89 Cb -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2c45 s ALA 89 CO -0.00 -1.01 0.00 0.66 0.00 0.00 0.00 175.76 175.41 2c45 n TYR 90 N 5.01 0.00 0.00 0.00 4.02 -1.26 -0.75 117.16 124.18 2c45 n TYR 90 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 2c45 n TYR 90 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2c45 n TYR 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2c45 n ALA 91 N -3.00 0.00 -1.77 -0.72 0.00 -0.79 -4.33 120.51 109.90 2c45 n ALA 91 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2c45 n ALA 91 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2c45 n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c45 s THR 92 N 0.00 3.53 0.07 0.00 -4.23 -1.26 -0.68 115.64 113.07 2c45 s THR 92 Ca 0.00 1.36 -0.07 0.00 -1.18 0.00 0.00 61.69 61.79 2c45 s THR 92 Cb 0.00 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 2c45 s THR 92 CO 0.00 0.19 0.14 -0.04 -0.54 0.00 0.00 174.62 174.37 2c45 s MET 93 N -1.96 0.77 0.22 3.99 -1.94 0.22 -4.91 119.30 115.69 2c45 s MET 93 Ca 0.51 -0.97 -0.30 0.00 -1.71 0.00 0.00 55.69 53.23 2c45 s MET 93 Cb -0.28 0.31 -0.09 0.00 2.01 0.00 0.00 34.83 36.77 2c45 s MET 93 CO 0.36 -0.23 1.36 0.34 -0.01 0.00 0.00 175.02 176.84 2c45 s ASP 94 N -2.76 6.81 0.66 3.03 2.15 -1.26 -1.27 116.67 124.02 2c45 s ASP 94 Ca 0.04 2.50 0.06 0.00 0.43 0.00 0.00 52.55 55.58 2c45 s ASP 94 Cb 0.05 -2.61 0.30 0.00 -0.30 0.00 0.00 42.92 40.35 2c45 s ASP 94 CO -0.10 -0.59 1.15 -0.78 -0.17 0.00 0.00 175.17 174.68 2c45 h ASP 95 N 5.26 0.00 0.22 -0.34 3.58 -1.11 0.16 116.42 124.20 2c45 h ASP 95 Ca -0.45 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 2c45 h ASP 95 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2c45 h ASP 95 CO 0.78 0.00 -0.11 0.00 -2.88 0.00 0.00 179.24 177.03 2c45 h ALA 96 N 0.23 -0.30 -0.74 -0.78 0.00 -1.87 -3.15 119.26 112.66 2c45 h ALA 96 Ca 0.04 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2c45 h ALA 96 Cb 1.90 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 2c45 h ALA 96 CO -0.00 -0.29 0.48 0.00 0.00 0.00 0.00 179.25 179.44 2c45 h ARG 97 N -1.05 0.68 -0.57 0.00 2.47 -1.05 -2.38 114.38 112.48 2c45 h ARG 97 Ca -0.03 -0.04 0.11 0.00 -1.26 0.00 0.00 59.98 58.76 2c45 h ARG 97 Cb 0.32 -0.15 -0.11 0.00 -1.65 0.00 0.00 29.97 28.37 2c45 h ARG 97 CO 0.05 0.45 -0.27 0.00 0.56 0.00 0.00 179.97 180.75 2c45 h ALA 98 N 1.62 0.09 0.24 0.04 0.00 -1.29 -3.12 119.26 116.83 2c45 h ALA 98 Ca 0.33 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2c45 h ALA 98 Cb 0.38 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2c45 h ALA 98 CO -0.12 -0.60 -0.27 0.00 0.00 0.00 0.00 179.25 178.27 2c45 h ARG 99 N -0.13 -0.49 -4.39 0.00 3.08 -1.38 -3.39 114.38 107.69 2c45 h ARG 99 Ca 0.25 0.03 -0.73 0.00 0.07 0.00 0.00 59.98 59.60 2c45 h ARG 99 Cb 0.52 0.11 -0.22 0.00 0.08 0.00 0.00 29.97 30.47 2c45 h ARG 99 CO -0.65 -0.33 -0.37 0.95 -1.07 0.00 0.00 179.97 178.50 2c45 s THR 100 N -4.47 5.23 -0.28 2.04 -4.23 -1.18 -5.02 115.64 107.73 2c45 s THR 100 Ca -0.09 -0.90 -0.17 0.00 -1.18 0.00 0.00 61.69 59.35 2c45 s THR 100 Cb 0.02 -4.04 0.11 0.00 1.34 0.00 0.00 72.50 69.93 2c45 s THR 100 CO 0.31 -0.47 0.81 -0.47 -0.54 0.00 0.00 174.62 174.27 2c45 s TYR 101 N 1.65 -0.84 -0.41 3.99 6.04 -1.26 -4.82 117.35 121.71 2c45 s TYR 101 Ca 0.04 1.71 -0.14 0.00 0.04 0.00 0.00 57.07 58.72 2c45 s TYR 101 Cb -0.22 0.49 0.03 0.00 -1.04 0.00 0.00 41.96 41.22 2c45 s TYR 101 CO 0.08 -0.41 0.30 -0.65 -1.54 0.00 0.00 175.55 173.32 2c45 s GLN 102 N 1.36 2.94 0.13 4.97 -0.21 -1.26 -5.05 119.66 122.53 2c45 s GLN 102 Ca -0.08 -1.09 -0.31 0.00 0.02 0.00 0.00 55.36 53.90 2c45 s GLN 102 Cb -0.04 -3.96 -0.08 0.00 1.00 0.00 0.00 33.01 29.93 2c45 s GLN 102 CO -0.16 -0.79 1.37 -2.14 -2.12 0.00 0.00 175.29 171.45 2c45 s PRO 103 N 1.65 4.34 -0.85 2.91 0.02 -1.26 -4.90 135.00 136.91 2c45 s PRO 103 Ca 0.04 2.06 -0.25 0.00 0.02 0.00 0.00 61.00 62.87 2c45 s PRO 103 Cb -0.20 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.03 2c45 s PRO 103 CO 0.09 -0.39 1.97 1.03 -0.33 0.00 0.00 177.00 179.36 2c45 s ARG 104 N 0.87 2.50 -0.16 5.54 1.81 -0.81 -4.93 118.95 123.78 2c45 s ARG 104 Ca 0.63 -0.09 -0.13 0.00 -1.72 0.00 0.00 55.73 54.43 2c45 s ARG 104 Cb -0.36 -4.94 -0.05 0.00 -0.45 0.00 0.00 34.95 29.15 2c45 s ARG 104 CO 0.32 -3.34 0.25 0.42 -0.68 0.00 0.00 175.30 172.26 2c45 s ILE 105 N 10.24 5.33 -0.27 1.52 1.01 -1.26 -2.20 121.20 135.56 2c45 s ILE 105 Ca 0.71 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.84 2c45 s ILE 105 Cb -0.08 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.86 2c45 s ILE 105 CO 0.03 0.42 -0.08 -0.69 0.00 0.00 0.00 174.94 174.62 2c45 s VAL 106 N 0.31 2.36 0.45 2.92 1.01 0.01 -4.98 120.40 122.48 2c45 s VAL 106 Ca 0.15 -1.61 -0.20 0.00 0.00 0.00 0.00 61.98 60.32 2c45 s VAL 106 Cb -0.13 -2.40 -0.10 0.00 0.00 0.00 0.00 36.38 33.76 2c45 s VAL 106 CO 0.03 -0.07 0.96 -0.36 0.00 0.00 0.00 175.10 175.66 2c45 s PHE 107 N 1.13 3.32 0.14 5.22 2.99 -1.26 -0.49 117.98 129.03 2c45 s PHE 107 Ca -0.07 1.57 0.02 0.00 0.00 0.00 0.00 56.93 58.44 2c45 s PHE 107 Cb -0.20 -2.85 -0.04 0.00 0.00 0.00 0.00 43.02 39.93 2c45 s PHE 107 CO -0.04 -0.22 -0.02 0.54 -0.00 0.00 0.00 175.22 175.48 2c45 s VAL 108 N -2.28 0.63 0.58 -0.44 0.11 -1.19 -4.06 120.40 113.75 2c45 s VAL 108 Ca 0.62 -1.96 -0.13 0.00 -2.93 0.00 0.00 61.98 57.58 2c45 s VAL 108 Cb -0.10 -1.95 -0.05 0.00 -1.53 0.00 0.00 36.38 32.75 2c45 s VAL 108 CO 0.18 -0.62 1.01 -0.62 -3.33 0.00 0.00 175.10 171.72 2c45 s ASP 109 N -3.11 6.36 0.00 3.54 -1.08 -1.26 -4.78 116.67 116.34 2c45 s ASP 109 Ca 0.19 1.49 0.01 0.00 -0.52 0.00 0.00 52.55 53.73 2c45 s ASP 109 Cb 0.06 -2.49 0.03 0.00 -1.46 0.00 0.00 42.92 39.07 2c45 s ASP 109 CO 0.00 -0.78 1.01 0.00 0.52 0.00 0.00 175.17 175.93 2c45 n ALA 110 N -2.27 1.05 0.02 3.66 0.00 -1.26 0.14 120.51 121.86 2c45 n ALA 110 Ca 0.06 -0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.53 2c45 n ALA 110 Cb 0.54 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 19.03 2c45 n ALA 110 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c45 n TYR 111 N -1.48 0.14 -2.37 0.00 0.53 -1.26 -4.87 117.16 107.84 2c45 n TYR 111 Ca 0.00 -0.33 -0.01 0.00 -1.02 0.00 0.00 57.90 56.55 2c45 n TYR 111 Cb 0.01 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.29 2c45 n TYR 111 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2c45 n ASN 112 N 0.08 -6.26 0.15 7.72 3.02 0.37 -4.58 115.26 115.76 2c45 n ASN 112 Ca 0.05 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 2c45 n ASN 112 Cb 0.26 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 2c45 n ASN 112 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2c45 n LYS 113 N 0.37 0.00 0.00 3.52 5.02 -1.26 -4.49 118.16 121.33 2c45 n LYS 113 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2c45 n LYS 113 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 2c45 n LYS 113 CO 0.00 0.00 0.00 -3.68 -0.52 0.00 0.00 177.40 173.20