#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 4.10 0.07 3.17 1.43 -1.26 -0.40 118.68 125.79 2c45 s LEU 2 Ca 0.00 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 2c45 s LEU 2 Cb 0.00 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2c45 s LEU 2 CO 0.00 -0.27 0.16 -0.13 0.23 0.00 0.00 176.35 176.35 2c45 s ARG 3 N 1.44 3.23 -0.12 1.70 0.52 -0.45 -4.81 118.95 120.46 2c45 s ARG 3 Ca 0.00 -0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 54.54 2c45 s ARG 3 Cb -0.18 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.32 2c45 s ARG 3 CO 0.02 0.59 0.31 -0.08 0.02 0.00 0.00 175.30 176.17 2c45 s THR 4 N -1.47 5.26 0.04 0.02 -1.32 -1.26 -0.17 115.64 116.74 2c45 s THR 4 Ca 0.33 0.60 -0.06 0.00 -1.21 0.00 0.00 61.69 61.35 2c45 s THR 4 Cb -0.13 -3.64 -0.01 0.00 -1.51 0.00 0.00 72.50 67.22 2c45 s THR 4 CO 0.26 0.45 0.12 -0.04 -2.21 0.00 0.00 174.62 173.20 2c45 s MET 5 N -0.02 0.64 -0.26 7.08 -1.94 -0.23 -4.87 119.30 119.70 2c45 s MET 5 Ca 0.19 -0.78 -0.29 0.00 -1.71 0.00 0.00 55.69 53.09 2c45 s MET 5 Cb -0.14 0.25 -0.06 0.00 2.01 0.00 0.00 34.83 36.89 2c45 s MET 5 CO 0.06 -0.17 2.24 -0.11 -0.01 0.00 0.00 175.02 177.03 2c45 n LEU 6 N 0.61 3.02 -0.06 -0.03 7.94 -1.26 -1.52 117.00 125.71 2c45 n LEU 6 Ca -0.18 0.18 -0.15 0.00 -1.11 0.00 0.00 56.01 54.74 2c45 n LEU 6 Cb 0.59 -1.52 -0.14 0.00 0.53 0.00 0.00 43.42 42.89 2c45 n LEU 6 CO 0.23 -0.76 -0.98 1.17 -1.11 0.00 0.00 177.39 175.94 2c45 n LYS 7 N 8.71 0.69 -3.57 1.96 4.81 -0.46 -4.60 118.16 125.70 2c45 n LYS 7 Ca 0.32 0.18 -0.11 0.00 -0.87 0.00 0.00 58.31 57.83 2c45 n LYS 7 Cb 0.42 -1.63 -0.04 0.00 0.02 0.00 0.00 35.03 33.80 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 -6.38 -0.34 -0.30 3.14 1.04 -0.74 -1.70 113.70 108.41 2c45 s SER 8 Ca -0.20 -0.17 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 2c45 s SER 8 Cb 0.07 0.51 0.15 0.00 0.10 0.00 0.00 66.02 66.85 2c45 s SER 8 CO 0.74 -0.86 0.86 -0.75 0.98 0.00 0.00 173.24 174.21 2c45 s LYS 9 N -3.58 0.41 -0.58 4.02 2.20 -0.96 -1.60 119.74 119.65 2c45 s LYS 9 Ca 0.01 1.00 -0.20 0.00 -0.36 0.00 0.00 55.97 56.42 2c45 s LYS 9 Cb 0.01 0.57 0.08 0.00 -1.51 0.00 0.00 37.83 36.97 2c45 s LYS 9 CO -0.11 -0.14 0.75 0.42 -0.36 0.00 0.00 175.35 175.92 2c45 s ILE 10 N 2.52 4.70 -0.27 5.43 1.01 -0.75 -1.25 121.20 132.59 2c45 s ILE 10 Ca -0.04 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 2c45 s ILE 10 Cb -0.08 -4.48 0.01 0.00 0.01 0.00 0.00 42.46 37.92 2c45 s ILE 10 CO -0.18 -1.10 1.05 -2.28 0.00 0.00 0.00 174.94 172.43 2c45 s HIS 11 N 3.04 3.26 -0.89 3.97 2.46 -0.09 -2.75 115.29 124.29 2c45 s HIS 11 Ca 0.16 1.34 -0.04 0.00 0.47 0.00 0.00 55.06 56.99 2c45 s HIS 11 Cb -0.20 -3.45 0.00 0.00 -0.13 0.00 0.00 32.58 28.80 2c45 s HIS 11 CO 0.10 -0.60 0.53 0.54 -2.47 0.00 0.00 174.74 172.83 2c45 n ARG 12 N 6.55 -3.81 -2.26 2.88 1.74 -1.22 -3.18 116.66 117.37 2c45 n ARG 12 Ca 0.12 0.53 -0.33 0.00 -0.77 0.00 0.00 57.85 57.40 2c45 n ARG 12 Cb 0.47 -4.61 -0.01 0.00 -1.02 0.00 0.00 32.46 27.28 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 -3.04 2.82 -0.18 7.54 0.00 -1.09 -4.79 121.76 123.02 2c45 s ALA 13 Ca 0.26 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.60 2c45 s ALA 13 Cb -0.12 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2c45 s ALA 13 CO 0.32 -0.58 0.07 0.99 0.00 0.00 0.00 175.76 176.57 2c45 s THR 14 N -2.29 4.90 -0.45 0.00 2.01 -1.26 -1.59 115.64 116.95 2c45 s THR 14 Ca 0.65 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 62.38 2c45 s THR 14 Cb -0.16 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2c45 s THR 14 CO 0.30 0.47 2.08 -0.69 -0.69 0.00 0.00 174.62 176.09 2c45 s VAL 15 N 0.24 3.22 0.01 3.82 1.01 0.33 -4.71 120.40 124.32 2c45 s VAL 15 Ca 0.05 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2c45 s VAL 15 Cb -0.12 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2c45 s VAL 15 CO 0.00 -0.38 1.07 0.74 0.00 0.00 0.00 175.10 176.54 2c45 h THR 16 N 7.17 0.00 -3.99 3.92 2.02 -1.61 -1.12 112.91 119.29 2c45 h THR 16 Ca -0.29 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.69 2c45 h THR 16 Cb 1.21 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2c45 h THR 16 CO 1.12 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 176.85 2c45 s ALA 18 N -2.32 -2.47 -0.13 0.00 0.00 -1.26 -3.60 121.76 111.99 2c45 s ALA 18 Ca 0.03 2.13 -0.04 0.00 0.00 0.00 0.00 51.96 54.08 2c45 s ALA 18 Cb 0.00 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 21.33 2c45 s ALA 18 CO 0.02 -0.51 0.12 0.34 0.00 0.00 0.00 175.76 175.73 2c45 s ASP 19 N 1.59 1.57 0.16 0.00 2.15 -0.90 -4.98 116.67 116.26 2c45 s ASP 19 Ca -0.07 -0.19 -0.16 0.00 0.43 0.00 0.00 52.55 52.57 2c45 s ASP 19 Cb -0.04 -0.01 0.07 0.00 -0.30 0.00 0.00 42.92 42.64 2c45 s ASP 19 CO -0.15 -0.30 1.76 0.25 -0.17 0.00 0.00 175.17 176.56 2c45 h LEU 20 N 8.40 0.18-10.22 -1.34 5.85 -1.92 0.41 115.31 116.67 2c45 h LEU 20 Ca -0.14 0.04 -0.50 0.00 0.84 0.00 0.00 57.88 58.12 2c45 h LEU 20 Cb 1.14 0.01 0.02 0.00 0.37 0.00 0.00 40.66 42.19 2c45 h LEU 20 CO 0.22 0.14 0.10 -1.00 -0.34 0.00 0.00 178.44 177.56 2c45 s HIS 21 N -6.15 3.52 0.26 1.25 3.76 -1.26 -2.88 115.29 113.77 2c45 s HIS 21 Ca -0.13 0.91 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 2c45 s HIS 21 Cb 0.12 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.46 2c45 s HIS 21 CO 0.72 -0.17 0.00 0.98 -0.85 0.00 0.00 174.74 175.42 2c45 n TYR 22 N -1.73 -3.99 -4.08 1.40 9.36 -1.26 -4.53 117.16 112.32 2c45 n TYR 22 Ca 0.01 2.21 -0.29 0.00 3.32 0.00 0.00 57.90 63.15 2c45 n TYR 22 Cb 0.54 -3.33 -0.07 0.00 -0.63 0.00 0.00 39.34 35.86 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 -1.26 4.39 0.00 2.97 1.01 -1.26 -3.73 120.40 122.53 2c45 s VAL 23 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2c45 s VAL 23 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2c45 s VAL 23 CO 0.00 0.07 0.30 0.61 0.00 0.00 0.00 175.10 176.08 2c45 n GLY 24 N 0.31 0.01 7.00 4.51 0.00 -1.25 -5.02 105.19 110.75 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 -4.18 1.61 3.41 -1.22 -3.77 113.62 109.47 2c45 n SER 25 Ca -0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.21 2c45 n SER 25 Cb 0.34 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.13 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 2.37 -0.34 -3.33 1.01 -1.20 0.15 120.40 119.05 2c45 s VAL 26 Ca 0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 2c45 s VAL 26 Cb 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 2c45 s VAL 26 CO 0.00 0.52 0.20 0.42 0.00 0.00 0.00 175.10 176.24 2c45 s THR 27 N 1.14 4.91 0.06 3.92 -4.23 -0.40 0.18 115.64 121.22 2c45 s THR 27 Ca 0.01 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 2c45 s THR 27 Cb -0.14 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 2c45 s THR 27 CO -0.07 -0.03 0.06 -0.63 -0.54 0.00 0.00 174.62 173.41 2c45 s ILE 28 N 1.65 4.44 -0.04 2.99 1.01 0.47 -2.12 121.20 129.61 2c45 s ILE 28 Ca 0.05 -0.74 -0.35 0.00 0.00 0.00 0.00 60.65 59.61 2c45 s ILE 28 Cb -0.18 -3.11 -0.13 0.00 0.01 0.00 0.00 42.46 39.06 2c45 s ILE 28 CO 0.08 0.18 1.74 -0.67 0.00 0.00 0.00 174.94 176.28 2c45 n ASP 29 N 0.67 3.07 -0.39 3.58 -0.08 -0.58 0.25 116.55 123.07 2c45 n ASP 29 Ca -0.10 1.03 -0.03 0.00 -1.51 0.00 0.00 54.79 54.18 2c45 n ASP 29 Cb 0.52 -1.34 0.02 0.00 2.34 0.00 0.00 41.12 42.66 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 7.74 0.04 -1.01 -1.67 0.00 -1.32 0.73 119.26 123.76 2c45 h ALA 30 Ca -0.47 0.25 0.23 0.00 0.00 0.00 0.00 54.91 54.92 2c45 h ALA 30 Cb 1.28 1.07 -0.12 0.00 0.00 0.00 0.00 17.79 20.03 2c45 h ALA 30 CO 0.92 -0.68 0.61 -0.44 0.00 0.00 0.00 179.25 179.65 2c45 h ASP 31 N -0.00 0.68 -0.21 0.00 3.32 -1.87 0.11 116.42 118.46 2c45 h ASP 31 Ca 0.31 0.12 -0.14 0.00 0.02 0.00 0.00 57.03 57.35 2c45 h ASP 31 Cb 0.57 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2c45 h ASP 31 CO -0.98 0.15 -0.36 -0.07 -1.72 0.00 0.00 179.24 176.26 2c45 h LEU 32 N 0.61 0.78 -0.98 1.55 3.38 0.09 0.11 115.31 120.85 2c45 h LEU 32 Ca 0.62 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 2c45 h LEU 32 Cb 1.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2c45 h LEU 32 CO -0.43 1.06 -0.31 0.24 0.09 0.00 0.00 178.44 179.08 2c45 h MET 33 N 0.61 0.35 0.10 1.13 2.86 0.12 0.11 114.93 120.22 2c45 h MET 33 Ca 0.06 -0.14 -0.18 0.00 -2.06 0.00 0.00 59.70 57.38 2c45 h MET 33 Cb 0.90 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.56 2c45 h MET 33 CO 0.08 0.64 -0.76 -0.44 1.06 0.00 0.00 176.91 177.48 2c45 h ASP 34 N 0.31 0.50 -0.08 1.22 3.32 -1.19 2.35 116.42 122.85 2c45 h ASP 34 Ca 0.04 -0.89 0.02 0.00 0.02 0.00 0.00 57.03 56.22 2c45 h ASP 34 Cb 0.71 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2c45 h ASP 34 CO 0.05 1.34 -0.05 0.00 -1.72 0.00 0.00 179.24 178.87 2c45 h ALA 35 N 0.16 0.02 -0.24 3.45 0.00 -0.71 -1.25 119.26 120.70 2c45 h ALA 35 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2c45 h ALA 35 Cb 1.55 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2c45 h ALA 35 CO 0.14 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 178.88 2c45 n ALA 36 N -2.29 2.47 -3.26 0.00 0.00 0.37 -4.85 120.51 112.95 2c45 n ALA 36 Ca -0.05 -0.46 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 2c45 n ALA 36 Cb 0.10 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 0.23 -6.39 -3.97 0.00 2.03 0.10 -4.66 116.55 103.89 2c45 n ASP 37 Ca 0.10 0.21 -0.14 0.00 0.52 0.00 0.00 54.79 55.48 2c45 n ASP 37 Cb 0.23 -2.69 -0.13 0.00 -0.72 0.00 0.00 41.12 37.81 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 -2.16 2.09 -0.04 -2.67 1.43 0.77 -4.89 118.68 113.20 2c45 s LEU 38 Ca 0.26 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2c45 s LEU 38 Cb -0.04 -0.15 -0.03 0.00 0.03 0.00 0.00 46.19 46.00 2c45 s LEU 38 CO 0.69 -0.05 0.00 -0.76 0.23 0.00 0.00 176.35 176.47 2c45 s LEU 39 N -0.57 3.56 -0.21 1.79 1.43 -1.26 -4.53 118.68 118.89 2c45 s LEU 39 Ca -0.03 0.08 -0.34 0.00 -1.03 0.00 0.00 54.13 52.80 2c45 s LEU 39 Cb -0.04 -1.93 -0.11 0.00 0.03 0.00 0.00 46.19 44.14 2c45 s LEU 39 CO -0.00 0.33 2.02 1.21 0.23 0.00 0.00 176.35 180.14 2c45 n GLU 40 N 1.76 1.72 -0.52 1.70 2.13 -1.26 -3.34 120.64 122.83 2c45 n GLU 40 Ca -0.16 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.23 2c45 n GLU 40 Cb 0.53 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.60 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 5.26 -1.11 3.60 8.31 0.00 0.24 -4.99 105.19 116.49 2c45 n GLY 41 Ca 0.30 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.02 0.30 -0.02 1.61 2.12 -1.21 -4.85 118.70 116.62 2c45 s GLU 42 Ca 0.00 0.56 -0.35 0.00 0.36 0.00 0.00 54.97 55.54 2c45 s GLU 42 Cb 0.00 0.12 -0.14 0.00 0.26 0.00 0.00 34.13 34.37 2c45 s GLU 42 CO 0.00 -0.07 1.69 0.94 -0.54 0.00 0.00 175.26 177.28 2c45 n GLN 43 N 3.83 1.84 -4.56 4.30 7.27 -1.26 -1.99 117.38 126.82 2c45 n GLN 43 Ca -0.17 0.67 -0.22 0.00 0.07 0.00 0.00 57.00 57.35 2c45 n GLN 43 Cb 0.57 -2.44 -0.14 0.00 2.41 0.00 0.00 30.24 30.64 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 2.51 1.25 -0.01 1.69 1.01 1.19 -4.63 120.40 123.41 2c45 s VAL 44 Ca 0.88 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2c45 s VAL 44 Cb -0.79 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2c45 s VAL 44 CO 0.49 0.18 0.07 -0.89 0.00 0.00 0.00 175.10 174.96 2c45 s THR 45 N -0.63 4.68 -0.02 3.92 2.01 0.16 -0.31 115.64 125.44 2c45 s THR 45 Ca 0.04 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.70 2c45 s THR 45 Cb -0.07 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2c45 s THR 45 CO 0.01 0.38 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.51 2c45 s ILE 46 N -1.16 1.38 -0.09 1.82 1.01 -0.59 -0.57 121.20 123.00 2c45 s ILE 46 Ca 0.22 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2c45 s ILE 46 Cb -0.12 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.22 2c45 s ILE 46 CO 0.12 0.39 -0.01 0.68 0.00 0.00 0.00 174.94 176.13 2c45 s VAL 47 N -0.26 0.48 -0.53 2.92 -7.23 -0.46 -2.08 120.40 113.24 2c45 s VAL 47 Ca 0.03 0.01 -0.22 0.00 -1.81 0.00 0.00 61.98 59.99 2c45 s VAL 47 Cb -0.08 -0.65 0.05 0.00 0.56 0.00 0.00 36.38 36.26 2c45 s VAL 47 CO 0.00 0.24 0.83 -0.62 -0.31 0.00 0.00 175.10 175.24 2c45 s ASP 48 N 1.93 6.31 0.47 4.85 3.68 -1.04 -0.07 116.67 132.79 2c45 s ASP 48 Ca 0.05 -0.52 0.13 0.00 2.13 0.00 0.00 52.55 54.34 2c45 s ASP 48 Cb -0.13 -2.38 1.10 0.00 -1.45 0.00 0.00 42.92 40.06 2c45 s ASP 48 CO -0.06 -1.09 2.07 0.40 0.13 0.00 0.00 175.17 176.62 2c45 h ILE 49 N 5.96 0.99 -0.02 4.11 5.03 -0.66 0.81 117.51 133.74 2c45 h ILE 49 Ca -0.26 -0.09 -0.17 0.00 -0.12 0.00 0.00 64.86 64.22 2c45 h ILE 49 Cb 1.08 0.70 -0.02 0.00 -3.03 0.00 0.00 36.82 35.56 2c45 h ILE 49 CO 1.04 0.05 -0.75 0.44 -0.68 0.00 0.00 178.15 178.24 2c45 h ASP 50 N 0.27 0.16 0.00 1.72 5.19 -1.93 -3.38 116.42 118.46 2c45 h ASP 50 Ca 0.13 -0.12 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 2c45 h ASP 50 Cb 0.18 -0.05 -0.25 0.00 0.18 0.00 0.00 39.33 39.39 2c45 h ASP 50 CO -0.03 0.85 -0.84 -0.46 -3.12 0.00 0.00 179.24 175.65 2c45 n ASN 51 N -3.72 0.66 -1.72 6.45 0.23 -0.88 -5.04 115.26 111.24 2c45 n ASN 51 Ca -0.02 -2.01 -0.07 0.00 -0.53 0.00 0.00 54.58 51.94 2c45 n ASN 51 Cb 0.72 -0.27 -0.02 0.00 -2.08 0.00 0.00 39.78 38.14 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 0.31 0.21 3.75 4.83 0.00 0.27 -4.95 105.19 109.62 2c45 n GLY 52 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.92 2.01 -0.16 4.61 0.00 -1.24 -4.77 121.76 120.28 2c45 s ALA 53 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 2c45 s ALA 53 Cb 0.00 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.96 2c45 s ALA 53 CO 0.00 -1.97 0.32 1.03 0.00 0.00 0.00 175.76 175.14 2c45 s ARG 54 N -4.92 0.22 0.21 0.00 0.52 -1.26 -2.48 118.95 111.24 2c45 s ARG 54 Ca 0.62 0.83 0.05 0.00 -0.52 0.00 0.00 55.73 56.71 2c45 s ARG 54 Cb -0.17 0.05 -0.05 0.00 0.52 0.00 0.00 34.95 35.30 2c45 s ARG 54 CO 0.56 -0.30 -0.06 -0.51 0.02 0.00 0.00 175.30 175.01 2c45 s LEU 55 N 2.50 2.39 -0.08 2.53 1.43 -0.88 -4.97 118.68 121.59 2c45 s LEU 55 Ca 0.01 -1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 2c45 s LEU 55 Cb -0.12 -0.41 0.03 0.00 0.03 0.00 0.00 46.19 45.72 2c45 s LEU 55 CO -0.11 -0.38 -0.01 -0.69 0.23 0.00 0.00 176.35 175.39 2c45 s VAL 56 N -3.27 0.46 0.38 -1.59 1.01 -1.26 -1.55 120.40 114.59 2c45 s VAL 56 Ca 0.24 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 2c45 s VAL 56 Cb 0.04 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.84 2c45 s VAL 56 CO 0.07 0.25 0.69 0.28 0.00 0.00 0.00 175.10 176.39 2c45 s THR 57 N 1.93 0.00 0.51 3.92 -1.32 0.58 -4.93 115.64 116.34 2c45 s THR 57 Ca 0.05 -1.22 -0.03 0.00 -1.21 0.00 0.00 61.69 59.28 2c45 s THR 57 Cb -0.12 -2.88 -0.00 0.00 -1.51 0.00 0.00 72.50 67.98 2c45 s THR 57 CO -0.06 0.00 0.78 -0.72 -2.21 0.00 0.00 174.62 172.41 2c45 s TYR 58 N -2.40 3.27 0.01 9.09 1.13 -1.26 0.37 117.35 127.56 2c45 s TYR 58 Ca 0.21 0.46 0.03 0.00 -1.41 0.00 0.00 57.07 56.36 2c45 s TYR 58 Cb -0.03 -2.49 -0.04 0.00 -1.10 0.00 0.00 41.96 38.30 2c45 s TYR 58 CO 0.16 -0.55 -0.03 0.00 -2.51 0.00 0.00 175.55 172.62 2c45 s ALA 59 N -2.75 3.16 -0.11 9.51 0.00 -0.84 -3.26 121.76 127.46 2c45 s ALA 59 Ca 0.51 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2c45 s ALA 59 Cb -0.10 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2c45 s ALA 59 CO 0.42 0.64 -0.22 0.42 0.00 0.00 0.00 175.76 177.01 2c45 s ILE 60 N -1.06 2.18 -0.07 0.00 1.01 0.47 -0.59 121.20 123.14 2c45 s ILE 60 Ca 0.19 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 2c45 s ILE 60 Cb -0.11 -1.85 -0.06 0.00 0.01 0.00 0.00 42.46 40.45 2c45 s ILE 60 CO 0.10 0.55 1.72 -0.89 0.00 0.00 0.00 174.94 176.42 2c45 s THR 61 N 0.43 3.48 0.54 2.92 2.01 -1.26 0.18 115.64 123.94 2c45 s THR 61 Ca -0.16 0.57 0.09 0.00 0.31 0.00 0.00 61.69 62.51 2c45 s THR 61 Cb -0.17 -3.39 0.07 0.00 0.01 0.00 0.00 72.50 69.01 2c45 s THR 61 CO 0.07 -0.08 0.71 -0.83 -0.69 0.00 0.00 174.62 173.80 2c45 s GLY 62 N 3.83 1.83 0.66 4.40 0.00 0.69 -4.78 107.32 113.95 2c45 s GLY 62 Ca 0.77 -1.99 -0.16 0.00 0.00 0.00 0.00 44.72 43.33 2c45 s GLY 62 CO 0.32 -1.67 1.16 1.85 0.00 0.00 0.00 173.10 174.75 2c45 s GLU 63 N -4.57 2.67 0.42 2.90 2.12 -1.26 -1.57 118.70 119.41 2c45 s GLU 63 Ca 0.58 1.60 -0.23 0.00 0.36 0.00 0.00 54.97 57.29 2c45 s GLU 63 Cb -0.06 -1.91 -0.09 0.00 0.26 0.00 0.00 34.13 32.32 2c45 s GLU 63 CO 0.36 -1.39 1.04 1.03 -0.54 0.00 0.00 175.26 175.77 2c45 s ARG 64 N -3.82 4.09 0.00 4.30 0.52 -1.26 -3.48 118.95 119.29 2c45 s ARG 64 Ca 0.72 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 57.39 2c45 s ARG 64 Cb -0.25 -2.44 0.00 0.00 0.52 0.00 0.00 34.95 32.78 2c45 s ARG 64 CO 0.40 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.93 2c45 n GLY 65 N 0.19 0.87 0.04 -3.53 0.00 -1.26 -4.66 105.19 96.83 2c45 n GLY 65 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 0.15 -2.89 1.61 3.41 -1.25 -4.81 113.62 109.85 2c45 n SER 66 Ca 0.00 0.55 -0.19 0.00 -0.26 0.00 0.00 58.87 58.98 2c45 n SER 66 Cb 0.00 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 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 -0.81 -0.50 3.77 5.00 0.00 -1.26 -4.88 105.19 106.51 2c45 n GLY 67 Ca 0.01 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.86 3.04 -0.50 1.61 1.01 -1.26 -4.74 120.40 116.70 2c45 s VAL 68 Ca 0.21 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.26 2c45 s VAL 68 Cb -0.10 -3.62 0.19 0.00 0.00 0.00 0.00 36.38 32.85 2c45 s VAL 68 CO 0.25 0.21 0.69 -0.38 0.00 0.00 0.00 175.10 175.88 2c45 n ILE 69 N 0.74 -0.17 -4.09 2.22 5.41 -1.23 -1.52 119.36 120.72 2c45 n ILE 69 Ca 0.01 -1.43 -0.28 0.00 1.00 0.00 0.00 62.75 62.06 2c45 n ILE 69 Cb 0.44 0.66 -0.06 0.00 -0.71 0.00 0.00 39.64 39.97 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 0.43 1.80 -0.32 7.39 0.00 -0.90 -1.69 107.32 114.03 2c45 s GLY 70 Ca 0.31 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 2c45 s GLY 70 CO -0.09 -1.18 0.03 -0.42 0.00 0.00 0.00 173.10 171.44 2c45 s ILE 71 N -1.63 2.83 -0.25 0.90 1.01 -1.24 -1.27 121.20 121.55 2c45 s ILE 71 Ca 0.30 -1.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.16 2c45 s ILE 71 Cb -0.11 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 2c45 s ILE 71 CO 0.22 -0.27 0.22 0.20 0.00 0.00 0.00 174.94 175.31 2c45 s ASN 72 N 1.30 6.14 0.39 3.58 -0.87 0.39 -2.11 114.94 123.76 2c45 s ASN 72 Ca -0.01 0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.42 2c45 s ASN 72 Cb -0.20 -2.14 0.00 0.00 -0.02 0.00 0.00 41.25 38.89 2c45 s ASN 72 CO -0.03 -0.01 0.00 0.61 -2.57 0.00 0.00 177.10 175.09 2c45 n GLY 73 N 4.53 -4.45 5.00 0.66 0.00 0.14 -3.43 105.19 107.65 2c45 n GLY 73 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.19 0.00 0.40 4.61 0.00 -1.25 -3.87 120.51 120.59 2c45 n ALA 74 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2c45 n ALA 74 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 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 1.56 0.28 0.00 0.00 -1.26 -0.78 120.51 120.31 2c45 n ALA 75 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.55 2c45 n ALA 75 Cb 0.00 -1.14 0.80 0.00 0.00 0.00 0.00 19.45 19.11 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 2.40 1.22 -4.09 0.00 0.00 -1.78 -2.99 119.26 114.02 2c45 h ALA 76 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2c45 h ALA 76 Cb 0.09 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.90 2c45 h ALA 76 CO 0.00 0.10 0.07 0.72 0.00 0.00 0.00 179.25 180.14 2c45 n HIS 77 N -3.51 -3.40 0.00 0.00 8.25 0.04 -4.43 115.22 112.17 2c45 n HIS 77 Ca -0.02 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 2c45 n HIS 77 Cb 0.22 -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 -4.56 2.41 4.32 -1.26 -4.65 117.00 113.26 2c45 n LEU 78 Ca 0.06 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.71 2c45 n LEU 78 Cb 0.22 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.90 2c45 n LEU 78 CO 0.15 0.00 -0.36 -0.69 -1.22 0.00 0.00 177.39 175.27 2c45 s VAL 79 N 0.00 3.83 0.29 4.08 1.01 -1.13 -4.74 120.40 123.74 2c45 s VAL 79 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2c45 s VAL 79 Cb 0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 2c45 s VAL 79 CO 0.00 0.56 0.08 -1.00 0.00 0.00 0.00 175.10 174.74 2c45 s HIS 80 N -0.36 1.73 0.66 5.22 3.76 -1.26 -4.46 115.29 120.58 2c45 s HIS 80 Ca 0.06 -1.09 -0.16 0.00 -0.15 0.00 0.00 55.06 53.71 2c45 s HIS 80 Cb -0.12 -1.07 0.00 0.00 1.11 0.00 0.00 32.58 32.50 2c45 s HIS 80 CO 0.02 -0.19 1.19 -2.14 -0.85 0.00 0.00 174.74 172.77 2c45 s PRO 81 N -3.96 2.58 0.00 8.40 0.02 -1.26 -2.54 135.00 138.24 2c45 s PRO 81 Ca 0.37 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.11 2c45 s PRO 81 Cb 0.08 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.71 2c45 s PRO 81 CO 0.15 -1.49 0.00 0.41 -0.33 0.00 0.00 177.00 175.74 2c45 n GLY 82 N 0.29 0.76 3.81 0.52 0.00 -0.42 -4.92 105.19 105.23 2c45 n GLY 82 Ca 0.13 0.00 -0.39 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 -2.70 7.05 -0.37 1.61 1.11 -1.05 -4.77 116.67 117.55 2c45 s ASP 83 Ca 0.00 1.25 -0.19 0.00 0.18 0.00 0.00 52.55 53.78 2c45 s ASP 83 Cb 0.00 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.64 2c45 s ASP 83 CO 0.00 0.26 0.58 -0.76 1.18 0.00 0.00 175.17 176.43 2c45 s LEU 84 N -1.01 4.34 0.44 1.23 1.43 -1.26 -0.52 118.68 123.34 2c45 s LEU 84 Ca 0.29 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2c45 s LEU 84 Cb -0.19 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 2c45 s LEU 84 CO 0.19 -0.57 0.01 0.68 0.23 0.00 0.00 176.35 176.89 2c45 s VAL 85 N 2.58 1.73 -0.04 -1.59 -7.23 -0.62 0.13 120.40 115.36 2c45 s VAL 85 Ca 0.21 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 2c45 s VAL 85 Cb -0.15 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2c45 s VAL 85 CO 0.15 0.00 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.17 2c45 s ILE 86 N -2.76 1.18 -0.15 -0.62 1.01 0.90 -2.65 121.20 118.11 2c45 s ILE 86 Ca 0.26 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 2c45 s ILE 86 Cb 0.07 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2c45 s ILE 86 CO 0.13 0.35 0.06 -0.76 0.00 0.00 0.00 174.94 174.72 2c45 s LEU 87 N 0.18 3.86 -0.01 2.97 1.43 -1.11 -1.36 118.68 124.65 2c45 s LEU 87 Ca -0.05 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2c45 s LEU 87 Cb -0.11 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 2c45 s LEU 87 CO 0.02 0.27 -0.05 -0.63 0.23 0.00 0.00 176.35 176.19 2c45 s ILE 88 N -0.22 0.44 -0.15 -0.59 1.01 0.26 -1.81 121.20 120.15 2c45 s ILE 88 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 2c45 s ILE 88 Cb -0.12 -0.38 0.04 0.00 0.01 0.00 0.00 42.46 42.01 2c45 s ILE 88 CO 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 174.94 175.08 2c45 s ALA 89 N -0.04 1.12 0.64 9.38 0.00 -0.63 0.36 121.76 132.59 2c45 s ALA 89 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2c45 s ALA 89 Cb -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2c45 s ALA 89 CO -0.00 -0.82 0.00 0.66 0.00 0.00 0.00 175.76 175.59 2c45 n TYR 90 N 5.00 0.00 0.00 0.00 4.02 -1.26 -1.35 117.16 123.57 2c45 n TYR 90 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 2c45 n TYR 90 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 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 -1.80 -0.72 0.00 -0.57 -4.30 120.51 110.11 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 3.36 0.12 0.00 -4.23 -1.26 -1.07 115.64 112.56 2c45 s THR 92 Ca 0.00 1.33 -0.06 0.00 -1.18 0.00 0.00 61.69 61.78 2c45 s THR 92 Cb 0.00 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.98 2c45 s THR 92 CO 0.00 0.30 0.16 -0.04 -0.54 0.00 0.00 174.62 174.51 2c45 s MET 93 N -1.33 0.93 0.35 3.99 -1.94 0.76 -4.94 119.30 117.13 2c45 s MET 93 Ca 0.46 -1.16 -0.28 0.00 -1.71 0.00 0.00 55.69 53.00 2c45 s MET 93 Cb -0.33 0.32 -0.10 0.00 2.01 0.00 0.00 34.83 36.72 2c45 s MET 93 CO 0.43 -0.30 1.29 0.34 -0.01 0.00 0.00 175.02 176.77 2c45 s ASP 94 N -2.94 6.65 0.60 3.03 2.15 -1.26 -1.34 116.67 123.56 2c45 s ASP 94 Ca 0.13 2.64 0.15 0.00 0.43 0.00 0.00 52.55 55.90 2c45 s ASP 94 Cb 0.05 -2.64 0.81 0.00 -0.30 0.00 0.00 42.92 40.84 2c45 s ASP 94 CO -0.05 -0.61 1.42 -0.78 -0.17 0.00 0.00 175.17 174.98 2c45 h ASP 95 N 3.15 0.00 0.23 -0.34 3.58 -1.09 -0.52 116.42 121.43 2c45 h ASP 95 Ca -0.49 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 2c45 h ASP 95 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2c45 h ASP 95 CO 0.64 0.00 -0.11 0.00 -2.88 0.00 0.00 179.24 176.89 2c45 h ALA 96 N 0.73 -0.35 -0.95 -0.78 0.00 -1.88 -3.15 119.26 112.88 2c45 h ALA 96 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.98 2c45 h ALA 96 Cb 1.22 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2c45 h ALA 96 CO 0.00 -0.33 0.60 0.00 0.00 0.00 0.00 179.25 179.52 2c45 h ARG 97 N -0.92 0.79 -0.64 0.00 2.47 -1.46 -1.81 114.38 112.80 2c45 h ARG 97 Ca -0.03 -0.05 0.12 0.00 -1.26 0.00 0.00 59.98 58.76 2c45 h ARG 97 Cb 0.24 -0.18 -0.12 0.00 -1.65 0.00 0.00 29.97 28.26 2c45 h ARG 97 CO 0.05 0.52 -0.29 0.00 0.56 0.00 0.00 179.97 180.82 2c45 h ALA 98 N 1.58 0.12 0.38 0.04 0.00 -1.22 -3.03 119.26 117.12 2c45 h ALA 98 Ca 0.48 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 2c45 h ALA 98 Cb 0.65 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2c45 h ALA 98 CO -0.24 -0.60 -0.37 0.00 0.00 0.00 0.00 179.25 178.04 2c45 h ARG 99 N -0.11 -0.72 -4.39 0.00 3.08 -1.28 -3.39 114.38 107.58 2c45 h ARG 99 Ca 0.27 0.05 -0.73 0.00 0.07 0.00 0.00 59.98 59.64 2c45 h ARG 99 Cb 0.55 0.16 -0.22 0.00 0.08 0.00 0.00 29.97 30.54 2c45 h ARG 99 CO -0.71 -0.48 -0.38 0.95 -1.07 0.00 0.00 179.97 178.29 2c45 s THR 100 N -5.07 5.25 -0.29 2.04 -4.23 -1.14 -5.02 115.64 107.17 2c45 s THR 100 Ca -0.13 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.35 2c45 s THR 100 Cb 0.03 -4.04 0.12 0.00 1.34 0.00 0.00 72.50 69.95 2c45 s THR 100 CO 0.44 -0.45 0.83 -0.47 -0.54 0.00 0.00 174.62 174.42 2c45 s TYR 101 N 1.66 -0.85 -0.46 3.99 6.04 -1.26 -4.79 117.35 121.69 2c45 s TYR 101 Ca 0.04 1.66 -0.16 0.00 0.04 0.00 0.00 57.07 58.66 2c45 s TYR 101 Cb -0.22 0.51 0.05 0.00 -1.04 0.00 0.00 41.96 41.26 2c45 s TYR 101 CO 0.08 -0.42 0.41 -0.65 -1.54 0.00 0.00 175.55 173.43 2c45 s GLN 102 N 1.67 3.01 0.09 4.97 -0.21 -1.26 -5.05 119.66 122.87 2c45 s GLN 102 Ca -0.09 -1.16 -0.31 0.00 0.02 0.00 0.00 55.36 53.82 2c45 s GLN 102 Cb -0.05 -4.08 -0.08 0.00 1.00 0.00 0.00 33.01 29.81 2c45 s GLN 102 CO -0.18 -0.97 1.45 -2.14 -2.12 0.00 0.00 175.29 171.33 2c45 s PRO 103 N 1.82 4.28 -0.82 2.91 0.02 -1.26 -4.90 135.00 137.05 2c45 s PRO 103 Ca 0.06 2.12 -0.25 0.00 0.02 0.00 0.00 61.00 62.95 2c45 s PRO 103 Cb -0.22 -3.35 -0.07 0.00 0.02 0.00 0.00 34.50 30.89 2c45 s PRO 103 CO 0.09 -0.53 2.06 1.03 -0.33 0.00 0.00 177.00 179.32 2c45 s ARG 104 N 1.58 2.32 -0.20 5.54 1.81 -0.69 -4.92 118.95 124.40 2c45 s ARG 104 Ca 0.66 0.08 -0.11 0.00 -1.72 0.00 0.00 55.73 54.64 2c45 s ARG 104 Cb -0.37 -4.89 -0.05 0.00 -0.45 0.00 0.00 34.95 29.19 2c45 s ARG 104 CO 0.30 -3.54 0.19 0.42 -0.68 0.00 0.00 175.30 171.99 2c45 s ILE 105 N 11.13 5.37 -0.33 1.52 1.01 -1.26 -2.28 121.20 136.36 2c45 s ILE 105 Ca 0.76 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.72 2c45 s ILE 105 Cb -0.09 -3.53 0.09 0.00 0.01 0.00 0.00 42.46 38.94 2c45 s ILE 105 CO 0.05 0.40 0.04 -0.69 0.00 0.00 0.00 174.94 174.74 2c45 s VAL 106 N 0.58 2.55 0.67 2.92 1.01 -0.38 -4.98 120.40 122.76 2c45 s VAL 106 Ca 0.10 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 59.95 2c45 s VAL 106 Cb -0.12 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2c45 s VAL 106 CO 0.01 -0.43 1.07 -0.36 0.00 0.00 0.00 175.10 175.40 2c45 s PHE 107 N 1.04 2.90 0.15 5.22 2.99 -1.26 -0.92 117.98 128.10 2c45 s PHE 107 Ca 0.04 1.50 -0.01 0.00 0.00 0.00 0.00 56.93 58.46 2c45 s PHE 107 Cb -0.20 -3.00 -0.04 0.00 0.00 0.00 0.00 43.02 39.78 2c45 s PHE 107 CO -0.06 -1.36 0.07 0.54 -0.00 0.00 0.00 175.22 174.41 2c45 s VAL 108 N -2.71 0.13 0.51 -0.44 0.11 -1.19 -4.04 120.40 112.77 2c45 s VAL 108 Ca 0.62 -1.93 -0.11 0.00 -2.93 0.00 0.00 61.98 57.63 2c45 s VAL 108 Cb -0.16 -2.15 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 2c45 s VAL 108 CO 0.47 -0.37 0.90 -0.62 -3.33 0.00 0.00 175.10 172.15 2c45 s ASP 109 N -3.08 6.39 0.00 3.54 -1.08 -1.26 -4.78 116.67 116.40 2c45 s ASP 109 Ca 0.27 1.26 0.02 0.00 -0.52 0.00 0.00 52.55 53.59 2c45 s ASP 109 Cb 0.07 -2.39 0.12 0.00 -1.46 0.00 0.00 42.92 39.26 2c45 s ASP 109 CO 0.04 -0.63 0.91 0.00 0.52 0.00 0.00 175.17 176.01 2c45 n ALA 110 N -2.05 1.29 -0.01 3.66 0.00 -1.26 0.11 120.51 122.25 2c45 n ALA 110 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.48 2c45 n ALA 110 Cb 0.54 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.31 0.05 -2.40 0.00 0.53 -1.26 -4.91 117.16 107.87 2c45 n TYR 111 Ca 0.01 -0.39 -0.01 0.00 -1.02 0.00 0.00 57.90 56.49 2c45 n TYR 111 Cb 0.02 -0.04 -0.01 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 -0.26 -5.62 0.19 7.72 3.02 0.30 -4.59 115.26 116.03 2c45 n ASN 112 Ca 0.02 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 2c45 n ASN 112 Cb 0.23 -4.25 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 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 0.65 0.00 0.00 3.52 5.02 -1.26 -4.51 118.16 121.58 2c45 n LYS 113 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2c45 n LYS 113 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 2c45 n LYS 113 CO 0.00 0.00 0.00 -3.68 -0.52 0.00 0.00 177.40 173.20