#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 3.63 0.13 3.17 1.43 -1.26 -0.06 118.68 125.71 2c45 s LEU 2 Ca 0.00 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 2c45 s LEU 2 Cb 0.00 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2c45 s LEU 2 CO 0.00 -0.19 0.19 -0.13 0.23 0.00 0.00 176.35 176.45 2c45 s ARG 3 N 1.38 3.17 -0.18 1.70 0.52 -0.59 -4.83 118.95 120.11 2c45 s ARG 3 Ca -0.00 -0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 54.41 2c45 s ARG 3 Cb -0.18 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 2c45 s ARG 3 CO -0.01 0.53 0.21 -0.08 0.02 0.00 0.00 175.30 175.98 2c45 s THR 4 N -1.65 5.35 0.04 0.02 -1.32 -1.26 -0.05 115.64 116.78 2c45 s THR 4 Ca 0.33 0.37 -0.01 0.00 -1.21 0.00 0.00 61.69 61.16 2c45 s THR 4 Cb -0.11 -3.55 -0.03 0.00 -1.51 0.00 0.00 72.50 67.29 2c45 s THR 4 CO 0.26 0.41 -0.02 -0.04 -2.21 0.00 0.00 174.62 173.02 2c45 s MET 5 N 0.48 0.50 -0.29 7.08 1.00 0.12 -4.86 119.30 123.33 2c45 s MET 5 Ca 0.12 -0.95 -0.29 0.00 0.00 0.00 0.00 55.69 54.58 2c45 s MET 5 Cb -0.12 0.18 -0.06 0.00 0.00 0.00 0.00 34.83 34.82 2c45 s MET 5 CO 0.01 -0.09 2.26 -0.11 0.00 0.00 0.00 175.02 177.09 2c45 n LEU 6 N 0.72 2.95 -0.06 -0.03 7.94 -1.26 -0.42 117.00 126.84 2c45 n LEU 6 Ca -0.18 0.11 -0.21 0.00 -1.11 0.00 0.00 56.01 54.62 2c45 n LEU 6 Cb 0.59 -1.52 -0.13 0.00 0.53 0.00 0.00 43.42 42.89 2c45 n LEU 6 CO 0.24 -0.84 -1.00 1.17 -1.11 0.00 0.00 177.39 175.86 2c45 n LYS 7 N 8.74 0.70 -3.70 1.96 4.81 -0.13 -4.59 118.16 125.96 2c45 n LYS 7 Ca 0.33 0.25 -0.11 0.00 -0.87 0.00 0.00 58.31 57.91 2c45 n LYS 7 Cb 0.43 -1.64 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 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 -6.89 -0.19 -0.30 3.14 1.04 -0.27 -1.53 113.70 108.71 2c45 s SER 8 Ca -0.28 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 55.83 2c45 s SER 8 Cb 0.08 0.41 0.13 0.00 0.10 0.00 0.00 66.02 66.74 2c45 s SER 8 CO 0.68 -0.71 0.71 -0.75 0.98 0.00 0.00 173.24 174.16 2c45 s LYS 9 N -3.02 0.55 -0.52 4.02 2.20 -1.01 -0.62 119.74 121.33 2c45 s LYS 9 Ca -0.02 1.30 -0.18 0.00 -0.36 0.00 0.00 55.97 56.71 2c45 s LYS 9 Cb 0.01 0.70 0.07 0.00 -1.51 0.00 0.00 37.83 37.10 2c45 s LYS 9 CO -0.06 -0.18 0.60 0.42 -0.36 0.00 0.00 175.35 175.77 2c45 s ILE 10 N 2.63 4.93 -0.30 5.43 1.01 -0.82 -0.71 121.20 133.38 2c45 s ILE 10 Ca -0.06 -0.74 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 2c45 s ILE 10 Cb -0.10 -4.32 0.01 0.00 0.01 0.00 0.00 42.46 38.07 2c45 s ILE 10 CO -0.19 -0.84 1.00 -2.28 0.00 0.00 0.00 174.94 172.63 2c45 s HIS 11 N 2.44 3.19 -0.96 3.97 2.46 0.17 -2.55 115.29 124.01 2c45 s HIS 11 Ca 0.12 1.15 -0.02 0.00 0.47 0.00 0.00 55.06 56.78 2c45 s HIS 11 Cb -0.22 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 28.72 2c45 s HIS 11 CO 0.09 -0.68 0.33 0.54 -2.47 0.00 0.00 174.74 172.55 2c45 n ARG 12 N 6.64 -2.74 -1.98 2.88 1.74 -1.18 -3.17 116.66 118.84 2c45 n ARG 12 Ca 0.10 0.56 -0.33 0.00 -0.77 0.00 0.00 57.85 57.41 2c45 n ARG 12 Cb 0.47 -4.69 0.02 0.00 -1.02 0.00 0.00 32.46 27.24 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 -2.89 2.66 -0.17 7.54 0.00 -1.08 -4.75 121.76 123.08 2c45 s ALA 13 Ca 0.16 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 2c45 s ALA 13 Cb -0.07 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2c45 s ALA 13 CO 0.20 -0.94 0.09 0.99 0.00 0.00 0.00 175.76 176.11 2c45 s THR 14 N -2.39 5.08 -0.45 0.00 2.01 -1.26 -1.57 115.64 117.06 2c45 s THR 14 Ca 0.65 0.07 -0.27 0.00 0.31 0.00 0.00 61.69 62.45 2c45 s THR 14 Cb -0.18 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2c45 s THR 14 CO 0.38 0.49 2.11 -0.69 -0.69 0.00 0.00 174.62 176.21 2c45 s VAL 15 N 0.05 3.19 0.00 3.82 1.01 0.59 -4.72 120.40 124.35 2c45 s VAL 15 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2c45 s VAL 15 Cb -0.12 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2c45 s VAL 15 CO 0.00 -0.34 0.87 0.41 0.00 0.00 0.00 175.10 176.05 2c45 n THR 16 N 7.63 0.00 -4.12 3.92 -1.04 -0.77 -1.13 114.28 118.77 2c45 n THR 16 Ca 0.28 1.37 -0.05 0.00 -2.04 0.00 0.00 64.05 63.62 2c45 n THR 16 Cb 0.51 -2.28 -0.01 0.00 -1.82 0.00 0.00 70.33 66.73 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 -2.16 -2.67 -0.14 0.00 0.00 -1.26 -3.59 121.76 111.94 2c45 s ALA 18 Ca 0.01 2.00 -0.04 0.00 0.00 0.00 0.00 51.96 53.93 2c45 s ALA 18 Cb 0.00 -1.98 0.06 0.00 0.00 0.00 0.00 23.12 21.21 2c45 s ALA 18 CO 0.01 -0.38 0.15 0.34 0.00 0.00 0.00 175.76 175.88 2c45 s ASP 19 N 1.18 1.43 0.20 0.00 2.15 -1.13 -4.98 116.67 115.52 2c45 s ASP 19 Ca -0.08 -0.13 -0.11 0.00 0.43 0.00 0.00 52.55 52.66 2c45 s ASP 19 Cb -0.02 0.12 0.21 0.00 -0.30 0.00 0.00 42.92 42.93 2c45 s ASP 19 CO -0.11 -0.30 1.77 0.25 -0.17 0.00 0.00 175.17 176.61 2c45 h LEU 20 N 8.37 0.31-10.23 -1.34 5.85 -1.92 0.39 115.31 116.73 2c45 h LEU 20 Ca -0.15 0.05 -0.49 0.00 0.84 0.00 0.00 57.88 58.13 2c45 h LEU 20 Cb 1.14 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.19 2c45 h LEU 20 CO 0.23 0.20 0.02 -1.00 -0.34 0.00 0.00 178.44 177.55 2c45 s HIS 21 N -6.11 3.52 0.26 1.25 3.76 -1.26 -3.15 115.29 113.57 2c45 s HIS 21 Ca -0.13 0.74 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 2c45 s HIS 21 Cb 0.15 -2.22 0.00 0.00 1.11 0.00 0.00 32.58 31.62 2c45 s HIS 21 CO 0.74 -0.11 0.00 0.98 -0.85 0.00 0.00 174.74 175.50 2c45 n TYR 22 N -1.82 -3.85 -4.05 1.40 9.36 -1.26 -4.54 117.16 112.39 2c45 n TYR 22 Ca -0.00 2.10 -0.28 0.00 3.32 0.00 0.00 57.90 63.04 2c45 n TYR 22 Cb 0.55 -3.27 -0.05 0.00 -0.63 0.00 0.00 39.34 35.94 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 -1.37 4.64 0.00 2.97 1.01 -1.26 -3.77 120.40 122.62 2c45 s VAL 23 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2c45 s VAL 23 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2c45 s VAL 23 CO 0.00 -0.02 0.22 0.61 0.00 0.00 0.00 175.10 175.91 2c45 n GLY 24 N -0.09 -0.04 7.00 4.51 0.00 -1.25 -5.01 105.19 110.30 2c45 n GLY 24 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.18 1.61 3.41 -1.22 -3.78 113.62 109.47 2c45 n SER 25 Ca -0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.23 2c45 n SER 25 Cb 0.28 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.07 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 2.24 -0.32 -3.33 1.01 -1.20 0.18 120.40 118.98 2c45 s VAL 26 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 2c45 s VAL 26 Cb 0.00 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2c45 s VAL 26 CO 0.00 0.53 0.20 0.42 0.00 0.00 0.00 175.10 176.26 2c45 s THR 27 N 1.03 5.07 0.05 3.92 -4.23 0.48 0.11 115.64 122.07 2c45 s THR 27 Ca -0.01 -0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.31 2c45 s THR 27 Cb -0.14 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 2c45 s THR 27 CO -0.06 0.06 0.01 -0.63 -0.54 0.00 0.00 174.62 173.46 2c45 s ILE 28 N 1.69 4.12 -0.02 2.99 1.01 0.22 -1.61 121.20 129.61 2c45 s ILE 28 Ca 0.06 -0.80 -0.36 0.00 0.00 0.00 0.00 60.65 59.55 2c45 s ILE 28 Cb -0.17 -2.91 -0.14 0.00 0.01 0.00 0.00 42.46 39.25 2c45 s ILE 28 CO 0.09 0.23 1.68 -0.67 0.00 0.00 0.00 174.94 176.27 2c45 n ASP 29 N 0.91 2.86 -0.35 3.58 -0.08 -0.55 0.18 116.55 123.10 2c45 n ASP 29 Ca -0.12 1.05 0.04 0.00 -1.51 0.00 0.00 54.79 54.24 2c45 n ASP 29 Cb 0.52 -1.31 0.11 0.00 2.34 0.00 0.00 41.12 42.77 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 7.15 0.51 -0.99 -1.67 0.00 -1.51 0.70 119.26 123.45 2c45 h ALA 30 Ca -0.47 0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.90 2c45 h ALA 30 Cb 1.29 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 19.78 2c45 h ALA 30 CO 0.91 -0.45 0.62 -0.44 0.00 0.00 0.00 179.25 179.89 2c45 h ASP 31 N -0.01 0.92 -0.39 0.00 3.32 -1.88 -1.02 116.42 117.36 2c45 h ASP 31 Ca 0.43 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.41 2c45 h ASP 31 Cb 0.67 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2c45 h ASP 31 CO -0.98 0.50 -0.19 -0.07 -1.72 0.00 0.00 179.24 176.78 2c45 h LEU 32 N 1.00 0.89 -1.03 1.55 3.38 0.04 0.12 115.31 121.26 2c45 h LEU 32 Ca 0.49 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2c45 h LEU 32 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2c45 h LEU 32 CO -0.26 1.06 -0.02 0.24 0.09 0.00 0.00 178.44 179.55 2c45 h MET 33 N 0.77 0.67 0.02 1.13 2.86 -0.45 0.25 114.93 120.18 2c45 h MET 33 Ca 0.11 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 2c45 h MET 33 Cb 0.72 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.31 2c45 h MET 33 CO 0.06 0.70 -0.40 -0.44 1.06 0.00 0.00 176.91 177.89 2c45 h ASP 34 N 0.63 0.33 -0.53 1.22 3.32 -1.19 1.29 116.42 121.48 2c45 h ASP 34 Ca 0.13 -0.81 0.06 0.00 0.02 0.00 0.00 57.03 56.43 2c45 h ASP 34 Cb 0.42 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 2c45 h ASP 34 CO 0.02 1.09 0.24 0.00 -1.72 0.00 0.00 179.24 178.87 2c45 h ALA 35 N 0.24 0.68 -0.26 3.45 0.00 -0.59 0.14 119.26 122.92 2c45 h ALA 35 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c45 h ALA 35 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2c45 h ALA 35 CO 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.20 2c45 n ALA 36 N -2.37 2.48 -3.02 0.00 0.00 0.87 -4.85 120.51 113.62 2c45 n ALA 36 Ca 0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 53.44 52.82 2c45 n ALA 36 Cb 0.18 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.65 -7.11 -3.83 0.00 2.03 0.55 -4.65 116.55 104.18 2c45 n ASP 37 Ca 0.16 0.77 -0.12 0.00 0.52 0.00 0.00 54.79 56.12 2c45 n ASP 37 Cb 0.39 -3.07 -0.13 0.00 -0.72 0.00 0.00 41.12 37.60 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 -1.32 1.52 -0.13 -2.67 1.43 0.41 -4.86 118.68 113.07 2c45 s LEU 38 Ca 0.02 0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 2c45 s LEU 38 Cb -0.00 0.45 -0.04 0.00 0.03 0.00 0.00 46.19 46.63 2c45 s LEU 38 CO 0.34 -0.07 0.05 -0.76 0.23 0.00 0.00 176.35 176.15 2c45 s LEU 39 N -0.04 3.84 -0.26 1.79 1.43 -1.26 -4.53 118.68 119.65 2c45 s LEU 39 Ca -0.01 0.20 -0.37 0.00 -1.03 0.00 0.00 54.13 52.92 2c45 s LEU 39 Cb -0.01 -1.92 -0.13 0.00 0.03 0.00 0.00 46.19 44.15 2c45 s LEU 39 CO 0.00 0.32 1.94 1.21 0.23 0.00 0.00 176.35 180.05 2c45 n GLU 40 N 2.56 1.35 -0.76 1.70 2.13 -1.26 -3.12 120.64 123.25 2c45 n GLU 40 Ca -0.18 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.10 2c45 n GLU 40 Cb 0.53 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.89 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 5.14 -1.49 3.64 8.31 0.00 0.93 -4.98 105.19 116.74 2c45 n GLY 41 Ca 0.31 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.15 0.25 -0.03 1.61 2.12 -1.18 -4.85 118.70 116.46 2c45 s GLU 42 Ca 0.00 0.43 -0.35 0.00 0.36 0.00 0.00 54.97 55.41 2c45 s GLU 42 Cb 0.00 0.05 -0.13 0.00 0.26 0.00 0.00 34.13 34.31 2c45 s GLU 42 CO 0.00 -0.05 1.78 0.94 -0.54 0.00 0.00 175.26 177.39 2c45 n GLN 43 N 3.47 2.07 -4.59 4.30 7.27 -1.26 -2.43 117.38 126.21 2c45 n GLN 43 Ca -0.18 0.76 -0.22 0.00 0.07 0.00 0.00 57.00 57.43 2c45 n GLN 43 Cb 0.57 -2.56 -0.15 0.00 2.41 0.00 0.00 30.24 30.51 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 3.14 1.07 -0.06 1.69 1.01 0.93 -4.65 120.40 123.53 2c45 s VAL 44 Ca 0.89 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 2c45 s VAL 44 Cb -0.72 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2c45 s VAL 44 CO 0.49 0.27 0.02 -0.89 0.00 0.00 0.00 175.10 174.99 2c45 s THR 45 N -0.37 4.39 -0.08 3.92 2.01 0.85 -0.53 115.64 125.84 2c45 s THR 45 Ca 0.05 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.78 2c45 s THR 45 Cb -0.05 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 2c45 s THR 45 CO -0.00 0.53 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 2c45 s ILE 46 N -0.97 1.87 -0.12 1.82 1.01 -0.72 0.44 121.20 124.53 2c45 s ILE 46 Ca 0.16 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 2c45 s ILE 46 Cb -0.11 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.77 2c45 s ILE 46 CO 0.05 0.52 -0.09 0.68 0.00 0.00 0.00 174.94 176.11 2c45 s VAL 47 N 0.22 1.13 -0.43 2.92 -7.23 -0.53 -2.06 120.40 114.42 2c45 s VAL 47 Ca -0.13 -0.38 -0.22 0.00 -1.81 0.00 0.00 61.98 59.44 2c45 s VAL 47 Cb -0.16 -1.14 0.02 0.00 0.56 0.00 0.00 36.38 35.66 2c45 s VAL 47 CO 0.06 0.36 0.75 -0.62 -0.31 0.00 0.00 175.10 175.34 2c45 s ASP 48 N 1.66 6.41 0.27 4.85 3.68 -1.08 -0.79 116.67 131.67 2c45 s ASP 48 Ca 0.05 -0.07 -0.04 0.00 2.13 0.00 0.00 52.55 54.61 2c45 s ASP 48 Cb -0.13 -2.37 0.32 0.00 -1.45 0.00 0.00 42.92 39.30 2c45 s ASP 48 CO -0.09 -0.84 1.92 0.40 0.13 0.00 0.00 175.17 176.69 2c45 h ILE 49 N 5.91 1.24 -0.09 4.11 5.03 -0.73 0.81 117.51 133.79 2c45 h ILE 49 Ca -0.25 -0.50 -0.12 0.00 -0.12 0.00 0.00 64.86 63.88 2c45 h ILE 49 Cb 1.09 -0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 2c45 h ILE 49 CO 0.93 0.25 -0.47 0.44 -0.68 0.00 0.00 178.15 178.62 2c45 h ASP 50 N 1.23 0.24 0.00 1.72 5.19 -1.93 -3.37 116.42 119.50 2c45 h ASP 50 Ca 0.32 -0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 56.57 2c45 h ASP 50 Cb -0.08 -0.07 -0.12 0.00 0.18 0.00 0.00 39.33 39.24 2c45 h ASP 50 CO -0.06 0.68 -0.63 -0.46 -3.12 0.00 0.00 179.24 175.64 2c45 n ASN 51 N -3.98 0.51 -1.51 6.45 0.23 -1.09 -5.04 115.26 110.83 2c45 n ASN 51 Ca -0.02 -2.13 -0.11 0.00 -0.53 0.00 0.00 54.58 51.79 2c45 n ASN 51 Cb 0.52 -0.26 -0.04 0.00 -2.08 0.00 0.00 39.78 37.92 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 0.02 0.78 3.70 4.83 0.00 0.28 -4.95 105.19 109.85 2c45 n GLY 52 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.04 1.42 -0.24 4.61 0.00 -1.24 -4.77 121.76 119.51 2c45 s ALA 53 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 2c45 s ALA 53 Cb 0.00 -3.23 0.13 0.00 0.00 0.00 0.00 23.12 20.02 2c45 s ALA 53 CO 0.00 -2.47 0.40 1.03 0.00 0.00 0.00 175.76 174.71 2c45 s ARG 54 N -4.86 0.35 0.30 0.00 0.52 -1.26 -2.63 118.95 111.38 2c45 s ARG 54 Ca 0.64 0.65 0.09 0.00 -0.52 0.00 0.00 55.73 56.58 2c45 s ARG 54 Cb -0.19 -0.28 -0.06 0.00 0.52 0.00 0.00 34.95 34.94 2c45 s ARG 54 CO 0.58 -0.57 -0.10 -0.51 0.02 0.00 0.00 175.30 174.71 2c45 s LEU 55 N 2.57 2.62 -0.08 2.53 1.43 -0.87 -4.97 118.68 121.91 2c45 s LEU 55 Ca 0.11 -1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.03 2c45 s LEU 55 Cb -0.15 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.23 2c45 s LEU 55 CO -0.15 -0.21 0.03 -0.69 0.23 0.00 0.00 176.35 175.55 2c45 s VAL 56 N -2.76 0.22 0.37 -1.59 1.01 -1.26 -1.75 120.40 114.65 2c45 s VAL 56 Ca 0.30 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 2c45 s VAL 56 Cb 0.02 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.98 2c45 s VAL 56 CO 0.14 0.17 0.72 0.28 0.00 0.00 0.00 175.10 176.41 2c45 s THR 57 N 2.03 0.00 0.70 3.92 -1.32 0.32 -4.94 115.64 116.35 2c45 s THR 57 Ca 0.04 -1.13 -0.06 0.00 -1.21 0.00 0.00 61.69 59.33 2c45 s THR 57 Cb -0.13 -2.81 0.06 0.00 -1.51 0.00 0.00 72.50 68.12 2c45 s THR 57 CO -0.05 0.00 1.00 -0.72 -2.21 0.00 0.00 174.62 172.64 2c45 s TYR 58 N -2.51 2.87 0.01 9.09 1.13 -1.26 0.31 117.35 126.99 2c45 s TYR 58 Ca 0.19 0.40 0.07 0.00 -1.41 0.00 0.00 57.07 56.31 2c45 s TYR 58 Cb -0.04 -3.18 -0.03 0.00 -1.10 0.00 0.00 41.96 37.61 2c45 s TYR 58 CO 0.13 -1.40 -0.21 0.00 -2.51 0.00 0.00 175.55 171.56 2c45 s ALA 59 N -3.22 2.43 -0.10 9.51 0.00 -1.02 -3.27 121.76 126.09 2c45 s ALA 59 Ca 0.60 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2c45 s ALA 59 Cb -0.11 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2c45 s ALA 59 CO 0.44 0.55 -0.21 0.42 0.00 0.00 0.00 175.76 176.97 2c45 s ILE 60 N -0.78 2.38 -0.07 0.00 1.01 0.29 -0.05 121.20 123.99 2c45 s ILE 60 Ca 0.12 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 2c45 s ILE 60 Cb -0.10 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2c45 s ILE 60 CO 0.02 0.55 1.61 -0.89 0.00 0.00 0.00 174.94 176.23 2c45 s THR 61 N 0.24 3.66 0.28 2.92 2.01 -1.26 0.73 115.64 124.22 2c45 s THR 61 Ca -0.14 0.80 0.04 0.00 0.31 0.00 0.00 61.69 62.71 2c45 s THR 61 Cb -0.17 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 68.87 2c45 s THR 61 CO 0.07 -0.08 0.37 0.61 -0.69 0.00 0.00 174.62 174.91 2c45 n GLY 62 N 4.09 2.02 3.78 4.40 0.00 0.48 -4.80 105.19 115.17 2c45 n GLY 62 Ca 0.17 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.26 3.47 0.48 1.61 2.12 -1.26 -2.30 118.70 119.55 2c45 s GLU 63 Ca 0.28 1.57 -0.21 0.00 0.36 0.00 0.00 54.97 56.97 2c45 s GLU 63 Cb -0.02 -2.04 -0.08 0.00 0.26 0.00 0.00 34.13 32.25 2c45 s GLU 63 CO 0.18 -0.75 1.08 1.03 -0.54 0.00 0.00 175.26 176.27 2c45 s ARG 64 N -3.24 3.76 0.00 4.30 0.52 -1.26 -3.55 118.95 119.48 2c45 s ARG 64 Ca 0.71 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 57.45 2c45 s ARG 64 Cb -0.23 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.03 2c45 s ARG 64 CO 0.26 -0.49 0.00 0.41 0.02 0.00 0.00 175.30 175.49 2c45 n GLY 65 N 0.09 0.57 0.00 -3.53 0.00 -1.26 -4.62 105.19 96.44 2c45 n GLY 65 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 -2.49 1.61 3.41 -1.24 -4.78 113.62 110.13 2c45 n SER 66 Ca 0.00 0.34 -0.12 0.00 -0.26 0.00 0.00 58.87 58.82 2c45 n SER 66 Cb 0.00 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.56 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 -0.75 -0.50 3.77 5.00 0.00 -1.26 -4.88 105.19 106.57 2c45 n GLY 67 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.61 2.67 -0.51 1.61 1.01 -1.26 -4.74 120.40 116.57 2c45 s VAL 68 Ca 0.02 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2c45 s VAL 68 Cb -0.01 -3.38 0.19 0.00 0.00 0.00 0.00 36.38 33.18 2c45 s VAL 68 CO 0.02 0.11 0.70 -0.38 0.00 0.00 0.00 175.10 175.55 2c45 n ILE 69 N 0.33 -0.10 -4.05 2.22 5.41 -1.21 -1.49 119.36 120.47 2c45 n ILE 69 Ca 0.03 -1.21 -0.31 0.00 1.00 0.00 0.00 62.75 62.25 2c45 n ILE 69 Cb 0.43 0.79 -0.06 0.00 -0.71 0.00 0.00 39.64 40.09 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 0.74 2.04 -0.42 7.39 0.00 -0.63 -1.84 107.32 114.60 2c45 s GLY 70 Ca 0.30 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 2c45 s GLY 70 CO -0.07 -0.92 0.20 -0.42 0.00 0.00 0.00 173.10 171.89 2c45 s ILE 71 N -1.36 3.12 -0.21 0.90 1.01 -1.24 -0.39 121.20 123.03 2c45 s ILE 71 Ca 0.29 -2.21 -0.19 0.00 0.00 0.00 0.00 60.65 58.53 2c45 s ILE 71 Cb -0.12 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2c45 s ILE 71 CO 0.21 -0.69 0.56 0.20 0.00 0.00 0.00 174.94 175.22 2c45 s ASN 72 N 1.52 6.58 0.38 3.58 -0.87 0.47 -2.82 114.94 123.77 2c45 s ASN 72 Ca 0.10 0.70 0.00 0.00 -1.57 0.00 0.00 52.86 52.09 2c45 s ASN 72 Cb -0.22 -2.31 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 2c45 s ASN 72 CO -0.05 -0.24 0.00 0.61 -2.57 0.00 0.00 177.10 174.85 2c45 n GLY 73 N 3.97 -3.71 5.07 0.66 0.00 0.14 -3.39 105.19 107.92 2c45 n GLY 73 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.28 0.00 0.00 4.61 0.00 -1.26 -3.80 120.51 119.78 2c45 n ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2c45 n ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.09 1.14 0.28 0.00 0.00 -1.26 -0.22 120.51 120.55 2c45 n ALA 75 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2c45 n ALA 75 Cb 0.00 -0.98 0.83 0.00 0.00 0.00 0.00 19.45 19.31 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 1.95 1.18 -4.05 0.00 0.00 -1.74 -3.08 119.26 113.52 2c45 h ALA 76 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2c45 h ALA 76 Cb 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.83 2c45 h ALA 76 CO 0.00 0.09 0.07 0.72 0.00 0.00 0.00 179.25 180.12 2c45 n HIS 77 N -3.44 -3.42 0.00 0.00 8.25 0.70 -4.49 115.22 112.82 2c45 n HIS 77 Ca -0.02 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 2c45 n HIS 77 Cb 0.21 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -4.68 2.41 4.77 -1.26 -4.66 117.00 113.57 2c45 n LEU 78 Ca 0.06 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.69 2c45 n LEU 78 Cb 0.21 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2c45 n LEU 78 CO 0.14 0.00 -0.24 -0.69 -1.33 0.00 0.00 177.39 175.27 2c45 s VAL 79 N 0.00 4.88 0.26 4.08 1.01 -1.16 -4.78 120.40 124.69 2c45 s VAL 79 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2c45 s VAL 79 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 2c45 s VAL 79 CO 0.00 0.50 0.03 -1.00 0.00 0.00 0.00 175.10 174.63 2c45 s HIS 80 N 0.01 1.65 0.92 5.22 3.76 -1.26 -4.50 115.29 121.09 2c45 s HIS 80 Ca 0.06 -0.99 -0.11 0.00 -0.15 0.00 0.00 55.06 53.88 2c45 s HIS 80 Cb -0.12 -0.99 0.14 0.00 1.11 0.00 0.00 32.58 32.72 2c45 s HIS 80 CO 0.01 -0.09 1.11 -2.14 -0.85 0.00 0.00 174.74 172.78 2c45 s PRO 81 N -3.91 1.04 0.00 8.40 0.02 -1.26 -2.66 135.00 136.63 2c45 s PRO 81 Ca 0.32 1.27 0.00 0.00 0.02 0.00 0.00 61.00 62.61 2c45 s PRO 81 Cb 0.07 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.84 2c45 s PRO 81 CO 0.11 -2.52 0.00 0.41 -0.33 0.00 0.00 177.00 174.67 2c45 n GLY 82 N -0.20 0.35 3.83 0.52 0.00 -0.29 -4.90 105.19 104.51 2c45 n GLY 82 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.25 6.61 -0.31 1.61 1.11 -1.09 -4.81 116.67 117.54 2c45 s ASP 83 Ca 0.00 0.73 -0.20 0.00 0.18 0.00 0.00 52.55 53.25 2c45 s ASP 83 Cb 0.00 -2.18 -0.01 0.00 1.07 0.00 0.00 42.92 41.80 2c45 s ASP 83 CO 0.00 0.31 0.64 -0.76 1.18 0.00 0.00 175.17 176.54 2c45 s LEU 84 N -0.79 4.16 0.50 1.23 1.43 -1.26 -0.30 118.68 123.65 2c45 s LEU 84 Ca 0.20 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 2c45 s LEU 84 Cb -0.15 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 2c45 s LEU 84 CO 0.09 -0.50 0.02 0.68 0.23 0.00 0.00 176.35 176.87 2c45 s VAL 85 N 2.63 1.07 -0.02 -1.59 -7.23 -0.61 0.04 120.40 114.71 2c45 s VAL 85 Ca 0.25 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2c45 s VAL 85 Cb -0.15 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.62 2c45 s VAL 85 CO 0.12 0.00 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.26 2c45 s ILE 86 N -2.92 0.30 -0.13 -0.62 1.01 0.03 -2.63 121.20 116.25 2c45 s ILE 86 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 2c45 s ILE 86 Cb 0.02 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 2c45 s ILE 86 CO 0.04 0.13 0.00 -0.76 0.00 0.00 0.00 174.94 174.36 2c45 s LEU 87 N 0.45 3.53 0.00 2.97 1.43 -1.06 -1.46 118.68 124.55 2c45 s LEU 87 Ca -0.05 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2c45 s LEU 87 Cb -0.08 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2c45 s LEU 87 CO -0.01 0.27 -0.10 -0.63 0.23 0.00 0.00 176.35 176.11 2c45 s ILE 88 N -0.25 0.80 -0.12 -0.59 1.01 0.17 -1.94 121.20 120.29 2c45 s ILE 88 Ca 0.06 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2c45 s ILE 88 Cb -0.12 -0.69 0.04 0.00 0.01 0.00 0.00 42.46 41.69 2c45 s ILE 88 CO 0.02 0.13 0.01 0.00 0.00 0.00 0.00 174.94 175.10 2c45 s ALA 89 N -0.41 0.85 0.57 9.38 0.00 0.20 -0.10 121.76 132.24 2c45 s ALA 89 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2c45 s ALA 89 Cb -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2c45 s ALA 89 CO -0.00 -0.69 0.00 0.66 0.00 0.00 0.00 175.76 175.73 2c45 n TYR 90 N 5.10 -0.38 0.00 0.00 4.02 -1.26 -0.95 117.16 123.69 2c45 n TYR 90 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2c45 n TYR 90 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 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 -1.78 -0.72 0.00 0.44 -4.41 120.51 111.05 2c45 n ALA 91 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 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 3.25 0.13 0.00 -4.23 -1.26 -0.71 115.64 112.82 2c45 s THR 92 Ca 0.00 1.25 -0.09 0.00 -1.18 0.00 0.00 61.69 61.67 2c45 s THR 92 Cb 0.00 -3.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.04 2c45 s THR 92 CO 0.00 0.29 0.24 -0.04 -0.54 0.00 0.00 174.62 174.57 2c45 s MET 93 N -1.49 1.00 0.29 3.99 -1.94 0.93 -4.92 119.30 117.16 2c45 s MET 93 Ca 0.46 -1.06 -0.29 0.00 -1.71 0.00 0.00 55.69 53.09 2c45 s MET 93 Cb -0.34 0.36 -0.10 0.00 2.01 0.00 0.00 34.83 36.76 2c45 s MET 93 CO 0.44 -0.35 1.30 0.34 -0.01 0.00 0.00 175.02 176.75 2c45 s ASP 94 N -2.91 6.82 0.64 3.03 2.15 -1.26 -1.55 116.67 123.60 2c45 s ASP 94 Ca 0.11 2.60 0.14 0.00 0.43 0.00 0.00 52.55 55.83 2c45 s ASP 94 Cb 0.04 -2.64 0.60 0.00 -0.30 0.00 0.00 42.92 40.62 2c45 s ASP 94 CO -0.06 -0.52 1.29 -0.78 -0.17 0.00 0.00 175.17 174.93 2c45 h ASP 95 N 3.95 0.00 0.37 -0.34 3.58 -0.84 -0.39 116.42 122.74 2c45 h ASP 95 Ca -0.48 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 2c45 h ASP 95 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2c45 h ASP 95 CO 0.69 0.00 -0.18 0.00 -2.88 0.00 0.00 179.24 176.87 2c45 h ALA 96 N 0.45 -0.49 -1.00 -0.78 0.00 -1.88 -3.06 119.26 112.50 2c45 h ALA 96 Ca 0.15 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2c45 h ALA 96 Cb 1.98 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.88 2c45 h ALA 96 CO -0.00 -0.46 0.63 0.00 0.00 0.00 0.00 179.25 179.42 2c45 h ARG 97 N -1.12 0.98 -0.72 0.00 2.47 -1.41 -1.98 114.38 112.59 2c45 h ARG 97 Ca -0.05 -0.06 0.10 0.00 -1.26 0.00 0.00 59.98 58.71 2c45 h ARG 97 Cb 0.38 -0.22 -0.12 0.00 -1.65 0.00 0.00 29.97 28.36 2c45 h ARG 97 CO 0.08 0.65 -0.44 0.00 0.56 0.00 0.00 179.97 180.81 2c45 h ALA 98 N 1.53 -0.25 0.06 0.04 0.00 -1.32 -2.75 119.26 116.57 2c45 h ALA 98 Ca 0.49 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2c45 h ALA 98 Cb 0.46 1.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2c45 h ALA 98 CO -0.26 -0.80 -0.18 0.00 0.00 0.00 0.00 179.25 178.01 2c45 h ARG 99 N -0.15 -0.26 -4.82 0.00 3.08 -1.24 -3.38 114.38 107.61 2c45 h ARG 99 Ca 0.21 0.02 -0.69 0.00 0.07 0.00 0.00 59.98 59.59 2c45 h ARG 99 Cb 0.55 0.06 -0.19 0.00 0.08 0.00 0.00 29.97 30.47 2c45 h ARG 99 CO -0.79 -0.17 -0.29 0.95 -1.07 0.00 0.00 179.97 178.61 2c45 s THR 100 N -3.92 5.15 -0.29 2.04 -4.23 -1.04 -5.01 115.64 108.35 2c45 s THR 100 Ca -0.06 -0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 60.03 2c45 s THR 100 Cb 0.02 -3.93 0.14 0.00 1.34 0.00 0.00 72.50 70.06 2c45 s THR 100 CO 0.20 -0.27 0.92 -0.47 -0.54 0.00 0.00 174.62 174.46 2c45 s TYR 101 N 2.00 -0.68 -0.50 3.99 6.04 -1.25 -4.75 117.35 122.20 2c45 s TYR 101 Ca 0.10 1.33 -0.17 0.00 0.04 0.00 0.00 57.07 58.38 2c45 s TYR 101 Cb -0.17 0.40 0.08 0.00 -1.04 0.00 0.00 41.96 41.23 2c45 s TYR 101 CO 0.12 -0.34 0.48 -0.65 -1.54 0.00 0.00 175.55 173.62 2c45 s GLN 102 N 1.51 3.02 0.05 4.97 -0.21 -1.26 -5.04 119.66 122.69 2c45 s GLN 102 Ca -0.09 -1.30 -0.30 0.00 0.02 0.00 0.00 55.36 53.69 2c45 s GLN 102 Cb -0.04 -4.15 -0.08 0.00 1.00 0.00 0.00 33.01 29.73 2c45 s GLN 102 CO -0.16 -1.14 1.68 -2.14 -2.12 0.00 0.00 175.29 171.42 2c45 s PRO 103 N 1.91 4.19 -0.76 2.91 0.02 -1.26 -4.87 135.00 137.14 2c45 s PRO 103 Ca 0.07 2.34 -0.26 0.00 0.02 0.00 0.00 61.00 63.17 2c45 s PRO 103 Cb -0.24 -3.69 -0.10 0.00 0.02 0.00 0.00 34.50 30.50 2c45 s PRO 103 CO 0.07 -0.77 2.26 1.03 -0.33 0.00 0.00 177.00 179.26 2c45 s ARG 104 N 2.95 1.98 -0.18 5.54 1.81 -0.58 -4.91 118.95 125.56 2c45 s ARG 104 Ca 0.75 0.45 -0.13 0.00 -1.72 0.00 0.00 55.73 55.09 2c45 s ARG 104 Cb -0.39 -4.79 -0.05 0.00 -0.45 0.00 0.00 34.95 29.27 2c45 s ARG 104 CO 0.33 -3.89 0.25 0.42 -0.68 0.00 0.00 175.30 171.72 2c45 s ILE 105 N 12.87 5.33 -0.29 1.52 1.01 -1.26 -2.41 121.20 137.96 2c45 s ILE 105 Ca 0.86 0.45 0.01 0.00 0.00 0.00 0.00 60.65 61.97 2c45 s ILE 105 Cb -0.12 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.83 2c45 s ILE 105 CO 0.10 0.40 -0.03 -0.69 0.00 0.00 0.00 174.94 174.71 2c45 s VAL 106 N 0.49 2.50 0.48 2.92 1.01 0.11 -4.99 120.40 122.92 2c45 s VAL 106 Ca 0.14 -1.71 -0.19 0.00 0.00 0.00 0.00 61.98 60.22 2c45 s VAL 106 Cb -0.12 -2.54 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 2c45 s VAL 106 CO 0.02 -0.19 0.98 -0.36 0.00 0.00 0.00 175.10 175.55 2c45 s PHE 107 N 1.11 3.31 0.12 5.22 2.99 -1.26 -0.65 117.98 128.82 2c45 s PHE 107 Ca -0.03 1.55 0.01 0.00 0.00 0.00 0.00 56.93 58.45 2c45 s PHE 107 Cb -0.20 -2.86 -0.04 0.00 0.00 0.00 0.00 43.02 39.92 2c45 s PHE 107 CO -0.04 -0.34 -0.02 0.54 -0.00 0.00 0.00 175.22 175.35 2c45 s VAL 108 N -2.35 0.53 0.60 -0.44 0.11 -1.19 -3.99 120.40 113.67 2c45 s VAL 108 Ca 0.61 -1.93 -0.14 0.00 -2.93 0.00 0.00 61.98 57.60 2c45 s VAL 108 Cb -0.11 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 2c45 s VAL 108 CO 0.22 -0.70 1.03 -0.62 -3.33 0.00 0.00 175.10 171.70 2c45 s ASP 109 N -3.07 6.04 0.00 3.54 -1.08 -1.26 -4.79 116.67 116.05 2c45 s ASP 109 Ca 0.17 1.61 0.04 0.00 -0.52 0.00 0.00 52.55 53.85 2c45 s ASP 109 Cb 0.06 -2.50 0.20 0.00 -1.46 0.00 0.00 42.92 39.22 2c45 s ASP 109 CO -0.02 -0.99 0.99 0.00 0.52 0.00 0.00 175.17 175.67 2c45 n ALA 110 N -2.31 1.35 -0.03 3.66 0.00 -1.26 0.10 120.51 122.01 2c45 n ALA 110 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.50 2c45 n ALA 110 Cb 0.54 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.33 0.09 -2.39 0.00 0.53 -1.26 -4.89 117.16 107.91 2c45 n TYR 111 Ca 0.02 -0.48 -0.00 0.00 -1.02 0.00 0.00 57.90 56.41 2c45 n TYR 111 Cb 0.03 -0.04 -0.00 0.00 -1.03 0.00 0.00 39.34 38.30 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 -0.29 -6.09 0.20 7.72 3.02 0.28 -4.59 115.26 115.52 2c45 n ASN 112 Ca 0.02 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 2c45 n ASN 112 Cb 0.28 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 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 0.57 0.00 0.00 3.52 5.02 -1.26 -4.52 118.16 121.48 2c45 n LYS 113 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2c45 n LYS 113 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 2c45 n LYS 113 CO 0.00 0.00 0.00 -3.68 -0.52 0.00 0.00 177.40 173.20