#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccg s SER 2 N 0.00 6.46 -0.04 6.12 1.04 -1.26 -4.74 113.70 121.28 2ccg s SER 2 Ca 0.00 0.84 -0.01 0.00 0.48 0.00 0.00 55.95 57.26 2ccg s SER 2 Cb 0.00 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 63.95 2ccg s SER 2 CO 0.00 -0.27 0.02 0.00 0.98 0.00 0.00 173.24 173.97 2ccg s ALA 3 N -2.19 0.35 -0.53 5.32 0.00 -1.06 -4.99 121.76 118.66 2ccg s ALA 3 Ca 0.46 0.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.38 2ccg s ALA 3 Cb -0.11 -0.47 0.12 0.00 0.00 0.00 0.00 23.12 22.67 2ccg s ALA 3 CO 0.31 -0.25 0.50 0.12 0.00 0.00 0.00 175.76 176.44 2ccg s PHE 4 N 1.48 3.23 -0.23 0.00 5.36 -1.26 -0.08 117.98 126.47 2ccg s PHE 4 Ca -0.03 -1.21 -0.05 0.00 -0.96 0.00 0.00 56.93 54.68 2ccg s PHE 4 Cb -0.13 -3.72 -0.01 0.00 -0.34 0.00 0.00 43.02 38.82 2ccg s PHE 4 CO -0.03 -1.01 -0.02 0.42 -1.46 0.00 0.00 175.22 173.13 2ccg s ILE 5 N 1.70 3.55 0.22 3.12 1.01 0.17 0.50 121.20 131.47 2ccg s ILE 5 Ca 0.04 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.29 2ccg s ILE 5 Cb -0.29 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2ccg s ILE 5 CO 0.04 0.39 0.15 0.42 0.00 0.00 0.00 174.94 175.93 2ccg s THR 6 N 1.50 4.35 -0.09 2.92 -4.23 -0.29 -0.37 115.64 119.43 2ccg s THR 6 Ca 0.06 -1.32 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 2ccg s THR 6 Cb -0.15 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2ccg s THR 6 CO -0.02 -0.25 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.23 2ccg s PHE 7 N -1.98 2.32 0.16 3.99 0.40 -0.26 -0.10 117.98 122.50 2ccg s PHE 7 Ca 0.32 -0.91 0.06 0.00 -0.60 0.00 0.00 56.93 55.80 2ccg s PHE 7 Cb -0.09 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 2ccg s PHE 7 CO 0.24 -0.37 -0.13 -1.21 0.70 0.00 0.00 175.22 174.45 2ccg s GLU 8 N 0.34 1.14 0.00 0.44 0.41 -0.10 -0.76 118.70 120.17 2ccg s GLU 8 Ca -0.16 -1.44 0.00 0.00 -0.41 0.00 0.00 54.97 52.96 2ccg s GLU 8 Cb -0.17 -0.89 0.00 0.00 -1.78 0.00 0.00 34.13 31.29 2ccg s GLU 8 CO 0.07 0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.40 2ccg n GLY 9 N -0.04 2.76 0.00 -1.39 0.00 -1.26 -1.22 105.19 104.04 2ccg n GLY 9 Ca -0.11 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2ccg n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ccg n PRO 10 N -0.76 -0.19 -2.63 1.61 -0.04 -1.26 -4.96 135.00 126.76 2ccg n PRO 10 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2ccg n PRO 10 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 2ccg n PRO 10 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ccg s GLU 11 N -2.36 4.16 -0.87 0.54 0.41 -1.26 -3.57 118.70 115.75 2ccg s GLU 11 Ca 0.00 1.38 0.00 0.00 -0.41 0.00 0.00 54.97 55.94 2ccg s GLU 11 Cb 0.00 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 2ccg s GLU 11 CO 0.00 -0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.06 2ccg n GLY 12 N 0.07 0.80 0.24 -1.39 0.00 -1.26 -4.64 105.19 99.02 2ccg n GLY 12 Ca 0.06 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.58 2ccg n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ccg n SER 13 N 0.55 1.12 -0.43 1.61 3.41 -1.23 -4.24 113.62 114.40 2ccg n SER 13 Ca -0.09 -0.91 -0.06 0.00 -0.26 0.00 0.00 58.87 57.55 2ccg n SER 13 Cb 0.35 0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 2ccg n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ccg n GLY 14 N 1.38 0.80 0.36 5.00 0.00 -1.26 -4.91 105.19 106.56 2ccg n GLY 14 Ca 0.10 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2ccg n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ccg h LYS 15 N 0.18 -0.34 -0.36 1.61 3.64 -1.91 -1.17 116.57 118.21 2ccg h LYS 15 Ca -0.12 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2ccg h LYS 15 Cb 0.48 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 2ccg h LYS 15 CO 0.17 -0.22 0.02 1.15 -2.27 0.00 0.00 179.45 178.30 2ccg h THR 16 N -0.35 0.75 -0.33 1.00 2.02 -1.99 0.01 112.91 114.02 2ccg h THR 16 Ca 0.13 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.17 2ccg h THR 16 Cb 0.57 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2ccg h THR 16 CO -0.47 0.02 -0.20 0.00 0.37 0.00 0.00 175.52 175.24 2ccg h THR 17 N 0.13 1.26 0.80 3.16 1.03 -1.93 -2.39 112.91 114.97 2ccg h THR 17 Ca 0.18 -1.25 -0.04 0.00 -0.01 0.00 0.00 66.41 65.29 2ccg h THR 17 Cb 0.24 1.23 0.01 0.00 -1.07 0.00 0.00 68.15 68.55 2ccg h THR 17 CO -0.28 0.41 -0.38 0.58 -0.01 0.00 0.00 175.52 175.84 2ccg h VAL 18 N 0.56 0.17 -1.00 0.00 2.07 -0.44 -1.82 116.25 115.80 2ccg h VAL 18 Ca 0.09 -0.08 0.15 0.00 0.82 0.00 0.00 66.70 67.68 2ccg h VAL 18 Cb 0.66 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 2ccg h VAL 18 CO 0.05 0.01 0.62 0.40 0.02 0.00 0.00 177.57 178.66 2ccg h ILE 19 N -1.13 0.83 0.02 4.57 2.04 -1.02 0.02 117.51 122.83 2ccg h ILE 19 Ca -0.11 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 2ccg h ILE 19 Cb 0.83 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2ccg h ILE 19 CO 0.18 0.16 -0.01 -1.13 0.00 0.00 0.00 178.15 177.35 2ccg h ASN 20 N 0.87 -0.02 -0.22 1.72 -1.24 -1.23 -0.42 115.58 115.05 2ccg h ASN 20 Ca 0.53 -0.02 -0.16 0.00 0.71 0.00 0.00 56.30 57.35 2ccg h ASN 20 Cb 0.68 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.73 2ccg h ASN 20 CO -0.30 0.01 -0.47 -0.33 -1.29 0.00 0.00 177.43 175.05 2ccg h GLU 21 N -0.05 0.79 -0.22 6.67 5.08 -0.62 -2.32 114.58 123.91 2ccg h GLU 21 Ca -0.00 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2ccg h GLU 21 Cb 0.04 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2ccg h GLU 21 CO 0.00 1.08 0.13 0.28 -1.00 0.00 0.00 179.01 179.50 2ccg h VAL 22 N 0.62 1.03 -0.56 3.13 2.07 -0.96 -2.27 116.25 119.32 2ccg h VAL 22 Ca 0.03 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.55 2ccg h VAL 22 Cb 1.04 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 2ccg h VAL 22 CO 0.10 0.05 0.19 0.22 0.02 0.00 0.00 177.57 178.15 2ccg h TYR 23 N 0.27 0.33 0.00 1.57 3.20 -1.00 -1.27 116.97 120.07 2ccg h TYR 23 Ca 0.08 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2ccg h TYR 23 Cb -0.01 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 2ccg h TYR 23 CO -0.08 0.08 -0.08 0.45 -1.64 0.00 0.00 178.16 176.89 2ccg h HIS 24 N 0.36 0.00 0.07 -3.82 3.86 -0.87 0.62 115.15 115.37 2ccg h HIS 24 Ca 0.28 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.22 2ccg h HIS 24 Cb 0.34 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.83 2ccg h HIS 24 CO -0.18 0.08 -1.13 0.00 0.86 0.00 0.00 177.93 177.57 2ccg h ARG 25 N 0.00 0.52 0.01 2.45 3.08 -0.76 -3.34 114.38 116.34 2ccg h ARG 25 Ca -0.00 -0.65 -0.25 0.00 0.07 0.00 0.00 59.98 59.15 2ccg h ARG 25 Cb 0.16 0.21 0.01 0.00 0.08 0.00 0.00 29.97 30.43 2ccg h ARG 25 CO 0.01 1.27 -1.02 -0.07 -1.07 0.00 0.00 179.97 179.09 2ccg h LEU 26 N 0.25 0.70 -1.69 3.04 3.38 -0.77 -3.31 115.31 116.91 2ccg h LEU 26 Ca -0.14 -0.58 0.37 0.00 0.09 0.00 0.00 57.88 57.63 2ccg h LEU 26 Cb 1.79 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 2ccg h LEU 26 CO 0.21 1.38 1.10 1.62 0.09 0.00 0.00 178.44 182.84 2ccg h VAL 27 N 0.29 0.14 0.50 1.22 3.04 -1.02 0.53 116.25 120.96 2ccg h VAL 27 Ca -0.11 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.56 2ccg h VAL 27 Cb 1.67 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2ccg h VAL 27 CO 0.19 0.00 -0.24 0.11 -1.01 0.00 0.00 177.57 176.62 2ccg h LYS 28 N 0.00 -0.65 0.00 4.17 1.57 -1.77 -3.37 116.57 116.52 2ccg h LYS 28 Ca 0.61 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2ccg h LYS 28 Cb 2.80 0.15 0.00 0.00 0.08 0.00 0.00 32.23 35.26 2ccg h LYS 28 CO -0.01 -0.43 -0.41 -0.25 -0.57 0.00 0.00 179.45 177.78 2ccg n ASP 29 N -5.20 0.66 -4.24 0.86 8.00 -0.52 -4.93 116.55 111.18 2ccg n ASP 29 Ca -0.08 0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 2ccg n ASP 29 Cb 0.27 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.15 2ccg n ASP 29 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2ccg s TYR 30 N -3.12 1.23 -1.21 1.24 1.51 0.06 -5.06 117.35 112.00 2ccg s TYR 30 Ca 0.08 -0.79 -0.13 0.00 -1.01 0.00 0.00 57.07 55.23 2ccg s TYR 30 Cb 0.14 -0.64 0.18 0.00 -0.11 0.00 0.00 41.96 41.53 2ccg s TYR 30 CO 0.67 0.05 1.44 -3.47 -1.11 0.00 0.00 175.55 173.13 2ccg n ASP 31 N -0.19 5.25 -4.58 2.29 2.03 -1.26 -4.40 116.55 115.69 2ccg n ASP 31 Ca -0.10 -2.99 -0.34 0.00 0.52 0.00 0.00 54.79 51.88 2ccg n ASP 31 Cb 0.61 -1.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.34 2ccg n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ccg s VAL 32 N 1.26 3.69 0.00 5.18 0.11 -1.26 -1.05 120.40 128.33 2ccg s VAL 32 Ca 0.42 -0.48 0.07 0.00 -2.93 0.00 0.00 61.98 59.05 2ccg s VAL 32 Cb -0.03 -2.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.28 2ccg s VAL 32 CO -0.00 0.60 -0.21 0.27 -3.33 0.00 0.00 175.10 172.43 2ccg s ILE 33 N -0.77 2.55 -0.22 7.04 -4.36 0.05 -4.86 121.20 120.63 2ccg s ILE 33 Ca 0.12 -1.08 -0.07 0.00 -0.26 0.00 0.00 60.65 59.36 2ccg s ILE 33 Cb -0.11 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.57 2ccg s ILE 33 CO 0.01 0.47 0.05 -0.32 0.24 0.00 0.00 174.94 175.40 2ccg s MET 34 N -1.01 3.75 0.21 0.37 -2.45 -1.26 -0.77 119.30 118.14 2ccg s MET 34 Ca 0.12 -0.44 -0.03 0.00 -1.25 0.00 0.00 55.69 54.09 2ccg s MET 34 Cb -0.10 -3.24 -0.03 0.00 1.25 0.00 0.00 34.83 32.71 2ccg s MET 34 CO 0.02 0.00 0.19 -0.08 1.05 0.00 0.00 175.02 176.20 2ccg s THR 35 N 1.09 0.00 0.03 10.11 -1.32 0.74 -4.97 115.64 121.32 2ccg s THR 35 Ca 0.04 -1.90 -0.20 0.00 -1.21 0.00 0.00 61.69 58.41 2ccg s THR 35 Cb -0.14 -2.45 0.04 0.00 -1.51 0.00 0.00 72.50 68.44 2ccg s THR 35 CO 0.03 0.00 0.46 -0.60 -2.21 0.00 0.00 174.62 172.29 2ccg s ARG 36 N -4.13 0.94 0.15 7.08 3.52 -1.26 -0.53 118.95 124.72 2ccg s ARG 36 Ca 0.36 -0.25 -0.28 0.00 -0.13 0.00 0.00 55.73 55.43 2ccg s ARG 36 Cb 0.06 0.42 -0.07 0.00 -1.56 0.00 0.00 34.95 33.80 2ccg s ARG 36 CO 0.12 -0.32 0.90 -1.21 -0.81 0.00 0.00 175.30 173.97 2ccg s GLU 37 N -2.21 4.70 0.00 5.12 2.02 -1.26 0.16 118.70 127.22 2ccg s GLU 37 Ca -0.07 1.36 0.31 0.00 0.02 0.00 0.00 54.97 56.59 2ccg s GLU 37 Cb -0.01 -3.33 1.61 0.00 0.10 0.00 0.00 34.13 32.50 2ccg s GLU 37 CO -0.00 0.37 2.07 -0.35 0.02 0.00 0.00 175.26 177.38 2ccg n PRO 38 N 2.21 0.91 -3.78 0.39 -0.04 -1.26 -5.01 135.00 128.42 2ccg n PRO 38 Ca -0.01 -0.15 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 2ccg n PRO 38 Cb 0.49 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2ccg n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ccg n GLY 39 N 1.12 -0.45 3.10 0.55 0.00 0.41 -2.08 105.19 107.84 2ccg n GLY 39 Ca 0.20 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2ccg n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ccg n GLY 40 N -1.70 1.29 3.67 -0.02 0.00 -1.26 -4.93 105.19 102.23 2ccg n GLY 40 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2ccg n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ccg s VAL 41 N -3.58 3.92 0.05 1.61 1.01 -0.89 -4.92 120.40 117.61 2ccg s VAL 41 Ca 0.00 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.06 2ccg s VAL 41 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2ccg s VAL 41 CO 0.00 -0.07 1.17 -0.65 0.00 0.00 0.00 175.10 175.55 2ccg h PRO 42 N 8.46 -0.06 -0.68 2.72 0.11 -1.94 0.46 132.00 141.07 2ccg h PRO 42 Ca -0.34 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.84 2ccg h PRO 42 Cb 1.15 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 2ccg h PRO 42 CO 0.94 -0.04 0.38 1.15 -0.21 0.00 0.00 178.00 180.22 2ccg h THR 43 N -0.06 0.96 -0.67 -1.15 2.02 -1.99 -1.99 112.91 110.04 2ccg h THR 43 Ca 0.04 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.02 2ccg h THR 43 Cb 0.16 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 2ccg h THR 43 CO -0.24 0.13 0.40 1.23 0.37 0.00 0.00 175.52 177.40 2ccg h GLY 44 N 0.69 0.97 1.01 2.16 0.00 -1.65 -1.84 103.07 104.41 2ccg h GLY 44 Ca 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2ccg h GLY 44 CO -0.19 0.23 0.36 0.83 0.00 0.00 0.00 176.54 177.77 2ccg h GLU 45 N 0.78 1.04 -0.33 4.80 4.39 0.58 -0.74 114.58 125.10 2ccg h GLU 45 Ca 0.28 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2ccg h GLU 45 Cb 0.07 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2ccg h GLU 45 CO -0.13 0.81 0.17 0.93 -1.16 0.00 0.00 179.01 179.63 2ccg h GLU 46 N 1.01 0.46 -0.41 2.33 5.08 -1.09 -0.31 114.58 121.65 2ccg h GLU 46 Ca 0.25 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2ccg h GLU 46 Cb 0.11 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2ccg h GLU 46 CO -0.03 0.40 0.25 0.82 -1.00 0.00 0.00 179.01 179.45 2ccg h ILE 47 N 0.40 1.12 -0.63 3.13 2.04 -1.08 -2.74 117.51 119.75 2ccg h ILE 47 Ca 0.11 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 2ccg h ILE 47 Cb 0.08 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2ccg h ILE 47 CO -0.02 0.12 0.17 -0.09 0.00 0.00 0.00 178.15 178.34 2ccg h ARG 48 N 0.54 0.98 -0.81 2.37 9.65 -0.89 -2.84 114.38 123.38 2ccg h ARG 48 Ca 0.15 -0.21 0.12 0.00 -1.10 0.00 0.00 59.98 58.94 2ccg h ARG 48 Cb -0.02 -0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 28.34 2ccg h ARG 48 CO -0.03 0.86 0.42 -0.22 2.80 0.00 0.00 179.97 183.80 2ccg h LYS 49 N 0.94 0.63 -0.23 0.20 3.64 -0.75 0.42 116.57 121.42 2ccg h LYS 49 Ca 0.20 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2ccg h LYS 49 Cb 0.31 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2ccg h LYS 49 CO -0.00 0.42 0.16 0.82 -2.27 0.00 0.00 179.45 178.57 2ccg h ILE 50 N 0.65 0.99 -0.02 2.00 2.04 -1.39 0.62 117.51 122.40 2ccg h ILE 50 Ca 0.42 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 66.17 2ccg h ILE 50 Cb 0.52 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2ccg h ILE 50 CO -0.32 0.04 -0.16 0.58 0.00 0.00 0.00 178.15 178.29 2ccg h VAL 51 N 0.20 1.52 -0.39 1.67 2.07 -1.00 -2.15 116.25 118.17 2ccg h VAL 51 Ca 0.10 -1.75 0.08 0.00 0.82 0.00 0.00 66.70 65.95 2ccg h VAL 51 Cb 0.14 2.60 -0.08 0.00 -1.52 0.00 0.00 31.29 32.44 2ccg h VAL 51 CO -0.02 0.47 -0.13 -0.07 0.02 0.00 0.00 177.57 177.85 2ccg h LEU 52 N -0.49 -0.46 0.02 2.57 3.38 -0.23 -3.13 115.31 116.97 2ccg h LEU 52 Ca -0.01 0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2ccg h LEU 52 Cb 0.86 0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.90 2ccg h LEU 52 CO 0.03 -0.16 -0.62 -0.33 0.09 0.00 0.00 178.44 177.45 2ccg h GLU 53 N -0.04 0.38 -6.42 1.13 5.08 -1.02 -3.47 114.58 110.22 2ccg h GLU 53 Ca 0.19 -0.44 -0.61 0.00 -1.00 0.00 0.00 59.36 57.51 2ccg h GLU 53 Cb 0.33 0.13 0.13 0.00 0.50 0.00 0.00 28.75 29.84 2ccg h GLU 53 CO -0.42 1.12 -0.14 0.41 -1.00 0.00 0.00 179.01 178.98 2ccg n GLY 54 N 1.16 -0.88 3.21 -3.84 0.00 -0.81 -5.02 105.19 99.01 2ccg n GLY 54 Ca -0.11 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2ccg n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ccg s ASN 55 N -0.81 2.60 -1.21 1.61 2.20 -1.26 -4.69 114.94 113.39 2ccg s ASN 55 Ca 0.62 -0.43 -0.08 0.00 -0.94 0.00 0.00 52.86 52.04 2ccg s ASN 55 Cb -0.64 -0.65 0.06 0.00 -2.00 0.00 0.00 41.25 38.02 2ccg s ASN 55 CO 0.58 0.21 0.40 0.47 -2.94 0.00 0.00 177.10 175.82 2ccg n ASP 56 N 2.96 -3.58 -4.77 3.54 8.00 -1.26 -4.86 116.55 116.58 2ccg n ASP 56 Ca -0.17 -0.29 -0.41 0.00 0.71 0.00 0.00 54.79 54.63 2ccg n ASP 56 Cb 0.52 -2.98 -0.02 0.00 -0.02 0.00 0.00 41.12 38.63 2ccg n ASP 56 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2ccg s MET 57 N -5.86 4.26 0.09 -1.24 -2.45 -1.26 -4.89 119.30 107.96 2ccg s MET 57 Ca 0.34 2.35 -0.35 0.00 -1.25 0.00 0.00 55.69 56.77 2ccg s MET 57 Cb -0.18 -3.05 -0.15 0.00 1.25 0.00 0.00 34.83 32.71 2ccg s MET 57 CO 0.41 -0.34 1.53 -3.47 1.05 0.00 0.00 175.02 174.20 2ccg n ASP 58 N 1.00 2.61 -0.37 1.11 -0.08 -1.26 -4.81 116.55 114.75 2ccg n ASP 58 Ca 0.02 1.09 0.05 0.00 -1.51 0.00 0.00 54.79 54.43 2ccg n ASP 58 Cb 0.41 -1.33 0.21 0.00 2.34 0.00 0.00 41.12 42.74 2ccg n ASP 58 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2ccg h ILE 59 N 3.75 1.00 -0.42 5.18 3.07 -1.99 -0.60 117.51 127.50 2ccg h ILE 59 Ca -0.46 -0.37 -0.05 0.00 1.55 0.00 0.00 64.86 65.52 2ccg h ILE 59 Cb 1.29 -0.18 -0.02 0.00 -0.27 0.00 0.00 36.82 37.63 2ccg h ILE 59 CO 0.86 0.20 0.04 0.03 -1.05 0.00 0.00 178.15 178.23 2ccg h ARG 60 N 1.09 0.66 -0.17 0.16 3.08 -1.97 0.29 114.38 117.52 2ccg h ARG 60 Ca 0.47 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 2ccg h ARG 60 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2ccg h ARG 60 CO -0.22 0.65 0.02 1.15 -1.07 0.00 0.00 179.97 180.50 2ccg h THR 61 N 0.63 1.23 -0.32 2.04 2.02 -1.65 -1.19 112.91 115.67 2ccg h THR 61 Ca 0.14 -0.75 0.06 0.00 0.77 0.00 0.00 66.41 66.63 2ccg h THR 61 Cb 0.34 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 2ccg h THR 61 CO 0.01 0.23 -0.06 -0.08 0.37 0.00 0.00 175.52 175.98 2ccg h GLU 62 N 0.06 0.02 -0.77 6.66 4.81 -0.45 0.38 114.58 125.29 2ccg h GLU 62 Ca 0.05 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2ccg h GLU 62 Cb 0.32 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 2ccg h GLU 62 CO 0.00 0.01 0.48 0.00 -0.73 0.00 0.00 179.01 178.78 2ccg h ALA 63 N 1.31 1.02 -0.41 2.92 0.00 -0.24 -0.89 119.26 122.97 2ccg h ALA 63 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2ccg h ALA 63 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2ccg h ALA 63 CO -0.32 0.27 -0.21 0.52 0.00 0.00 0.00 179.25 179.52 2ccg h MET 64 N 0.93 0.80 -0.57 0.00 2.86 -0.45 -1.50 114.93 117.00 2ccg h MET 64 Ca 0.32 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2ccg h MET 64 Cb 0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2ccg h MET 64 CO -0.12 0.93 -0.04 -0.07 1.06 0.00 0.00 176.91 178.67 2ccg h LEU 65 N 0.70 1.01 -0.77 1.22 3.38 -0.26 0.21 115.31 120.80 2ccg h LEU 65 Ca 0.10 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2ccg h LEU 65 Cb 0.72 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2ccg h LEU 65 CO 0.06 1.08 0.28 -0.26 0.09 0.00 0.00 178.44 179.69 2ccg h PHE 66 N 0.93 1.20 -0.53 1.13 0.04 -1.03 -0.72 116.94 117.96 2ccg h PHE 66 Ca 0.16 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 2ccg h PHE 66 Cb 0.59 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2ccg h PHE 66 CO 0.04 0.92 0.04 0.00 -0.60 0.00 0.00 178.31 178.71 2ccg h ALA 67 N 1.15 0.71 -0.49 2.45 0.00 -0.70 -0.39 119.26 121.99 2ccg h ALA 67 Ca 0.25 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2ccg h ALA 67 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ccg h ALA 67 CO -0.02 0.50 0.13 0.00 0.00 0.00 0.00 179.25 179.86 2ccg h ALA 68 N 0.96 0.64 -0.51 0.00 0.00 -0.28 -1.19 119.26 118.89 2ccg h ALA 68 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2ccg h ALA 68 Cb 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2ccg h ALA 68 CO 0.02 0.32 -0.08 1.03 0.00 0.00 0.00 179.25 180.54 2ccg h SER 69 N 0.67 0.90 -0.61 0.00 0.87 -1.05 -2.60 113.55 111.73 2ccg h SER 69 Ca 0.16 -0.27 0.03 0.00 -1.23 0.00 0.00 61.79 60.47 2ccg h SER 69 Cb 0.31 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 2ccg h SER 69 CO -0.00 1.01 0.36 -0.09 -0.53 0.00 0.00 176.83 177.58 2ccg h ARG 70 N 0.82 0.69 0.33 2.24 2.43 -0.70 -1.91 114.38 118.29 2ccg h ARG 70 Ca 0.14 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2ccg h ARG 70 Cb 0.60 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2ccg h ARG 70 CO 0.04 0.46 -0.21 -0.09 -1.51 0.00 0.00 179.97 178.65 2ccg h ARG 71 N 0.71 -0.51 -0.07 0.20 9.65 -0.94 0.13 114.38 123.55 2ccg h ARG 71 Ca 0.25 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.20 2ccg h ARG 71 Cb 0.05 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.69 2ccg h ARG 71 CO -0.11 -0.34 -0.24 0.93 2.80 0.00 0.00 179.97 183.01 2ccg h GLU 72 N -0.53 -0.32 -0.54 0.20 4.39 -1.31 0.19 114.58 116.66 2ccg h GLU 72 Ca -0.03 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.74 2ccg h GLU 72 Cb 0.44 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.12 2ccg h GLU 72 CO 0.02 -0.22 0.26 1.25 -1.16 0.00 0.00 179.01 179.17 2ccg h HIS 73 N -0.34 0.48 0.32 4.33 2.76 -1.25 0.45 115.15 121.91 2ccg h HIS 73 Ca 0.08 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 2ccg h HIS 73 Cb 0.45 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.28 2ccg h HIS 73 CO -0.31 0.22 -0.15 1.25 -1.30 0.00 0.00 177.93 177.64 2ccg h LEU 74 N 0.51 -0.36 -0.18 0.26 5.85 -0.18 -0.00 115.31 121.21 2ccg h LEU 74 Ca 0.24 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.77 2ccg h LEU 74 Cb 0.17 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ccg h LEU 74 CO -0.18 -0.24 -0.64 0.58 -0.34 0.00 0.00 178.44 177.62 2ccg h VAL 75 N -0.44 1.30 0.00 1.05 2.07 -0.75 0.36 116.25 119.84 2ccg h VAL 75 Ca -0.04 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.62 2ccg h VAL 75 Cb 0.34 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2ccg h VAL 75 CO 0.07 0.59 -0.38 0.18 0.02 0.00 0.00 177.57 178.05 2ccg n LEU 76 N -4.04 0.41 0.00 2.57 4.77 0.16 -4.31 117.00 116.56 2ccg n LEU 76 Ca -0.07 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2ccg n LEU 76 Cb 0.67 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2ccg n LEU 76 CO 0.50 0.06 -0.11 1.17 -1.33 0.00 0.00 177.39 177.68 2ccg n LYS 77 N -1.61 0.00 0.14 3.23 4.81 -0.11 -4.82 118.16 119.79 2ccg n LYS 77 Ca 0.06 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.38 2ccg n LYS 77 Cb 0.35 -0.12 -0.07 0.00 0.02 0.00 0.00 35.03 35.22 2ccg n LYS 77 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2ccg h VAL 78 N 0.00 0.52 -0.41 3.15 2.07 -0.88 -2.87 116.25 117.83 2ccg h VAL 78 Ca 0.00 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.81 2ccg h VAL 78 Cb 0.23 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 2ccg h VAL 78 CO 0.00 0.12 0.02 0.40 0.02 0.00 0.00 177.57 178.13 2ccg h ILE 79 N -0.94 0.71 -0.46 4.57 2.04 -0.52 -0.40 117.51 122.51 2ccg h ILE 79 Ca -0.04 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2ccg h ILE 79 Cb 0.51 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 2ccg h ILE 79 CO 0.07 0.02 0.14 -0.65 0.00 0.00 0.00 178.15 177.73 2ccg h PRO 80 N 0.13 0.29 -0.59 2.37 0.11 -1.75 -0.61 132.00 131.96 2ccg h PRO 80 Ca 0.20 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 2ccg h PRO 80 Cb 0.28 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 2ccg h PRO 80 CO -0.32 0.19 0.27 0.00 -0.21 0.00 0.00 178.00 177.93 2ccg h ALA 81 N 1.32 1.37 -0.18 -0.75 0.00 -1.13 -2.24 119.26 117.65 2ccg h ALA 81 Ca 0.22 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2ccg h ALA 81 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ccg h ALA 81 CO -0.25 0.49 -0.39 -0.07 0.00 0.00 0.00 179.25 179.03 2ccg h LEU 82 N 0.83 0.42 -1.46 0.00 3.38 -0.20 -2.20 115.31 116.07 2ccg h LEU 82 Ca 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ccg h LEU 82 Cb 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2ccg h LEU 82 CO -0.02 0.77 -0.04 0.11 0.09 0.00 0.00 178.44 179.34 2ccg h LYS 83 N 0.33 0.00 -0.49 1.13 1.57 -0.57 -1.94 116.57 116.60 2ccg h LYS 83 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ccg h LYS 83 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2ccg h LYS 83 CO 0.07 0.04 0.00 0.39 -0.57 0.00 0.00 179.45 179.38 2ccg n GLU 84 N -3.16 2.21 -2.01 3.15 1.02 -0.91 -4.93 120.64 116.01 2ccg n GLU 84 Ca 0.00 -1.70 -0.11 0.00 -0.02 0.00 0.00 57.16 55.34 2ccg n GLU 84 Cb 0.32 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 2ccg n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ccg n GLY 85 N 1.16 0.21 3.95 0.62 0.00 -0.73 -5.02 105.19 105.37 2ccg n GLY 85 Ca 0.16 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 2ccg n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ccg s LYS 86 N -4.18 3.31 -0.28 1.61 1.02 -0.88 -4.23 119.74 116.12 2ccg s LYS 86 Ca 0.00 -0.41 -0.15 0.00 0.02 0.00 0.00 55.97 55.43 2ccg s LYS 86 Cb 0.00 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2ccg s LYS 86 CO 0.00 -0.02 0.40 0.08 -0.92 0.00 0.00 175.35 174.88 2ccg s VAL 87 N -2.41 5.15 -0.32 3.17 1.01 -0.22 -2.55 120.40 124.23 2ccg s VAL 87 Ca 0.43 0.51 -0.11 0.00 0.00 0.00 0.00 61.98 62.82 2ccg s VAL 87 Cb -0.10 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2ccg s VAL 87 CO 0.37 0.09 0.19 -0.69 0.00 0.00 0.00 175.10 175.05 2ccg s VAL 88 N 2.11 4.94 -0.33 2.92 1.01 0.88 -0.77 120.40 131.15 2ccg s VAL 88 Ca 0.15 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 2ccg s VAL 88 Cb -0.16 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2ccg s VAL 88 CO 0.10 0.06 0.42 -0.76 0.00 0.00 0.00 175.10 174.92 2ccg s LEU 89 N 1.67 4.35 -0.20 3.92 1.43 0.05 -0.65 118.68 129.24 2ccg s LEU 89 Ca 0.05 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2ccg s LEU 89 Cb -0.17 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.63 2ccg s LEU 89 CO 0.08 -0.37 -0.16 0.00 0.23 0.00 0.00 176.35 176.13 2ccg s ASP 91 N 1.26 5.74 0.18 0.00 -1.08 0.31 -1.10 116.67 121.98 2ccg s ASP 91 Ca 0.02 0.11 0.00 0.00 -0.52 0.00 0.00 52.55 52.15 2ccg s ASP 91 Cb -0.15 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2ccg s ASP 91 CO -0.10 -2.05 0.00 0.54 0.52 0.00 0.00 175.17 174.07 2ccg n ARG 92 N 9.12 -1.70 0.00 4.34 1.74 0.06 -4.16 116.66 126.06 2ccg n ARG 92 Ca 0.13 1.25 0.00 0.00 -0.77 0.00 0.00 57.85 58.47 2ccg n ARG 92 Cb 0.50 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2ccg n ARG 92 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2ccg n TYR 93 N -0.74 0.00 -0.32 -1.55 9.36 -1.26 -4.65 117.16 117.99 2ccg n TYR 93 Ca 0.00 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.29 2ccg n TYR 93 Cb 0.00 0.00 0.23 0.00 -0.63 0.00 0.00 39.34 38.94 2ccg n TYR 93 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 2ccg h ILE 94 N 0.00 0.81 -0.71 2.97 2.10 -1.99 -1.70 117.51 118.98 2ccg h ILE 94 Ca 0.00 -0.26 0.06 0.00 1.08 0.00 0.00 64.86 65.74 2ccg h ILE 94 Cb 0.00 -0.03 -0.04 0.00 -1.09 0.00 0.00 36.82 35.65 2ccg h ILE 94 CO 0.00 0.14 0.47 0.44 -1.08 0.00 0.00 178.15 178.12 2ccg h ASP 95 N 0.77 0.65 -0.54 2.19 3.45 -1.99 -0.42 116.42 120.53 2ccg h ASP 95 Ca 0.48 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.96 2ccg h ASP 95 Cb 0.60 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.20 2ccg h ASP 95 CO -0.32 0.42 0.33 0.28 -1.57 0.00 0.00 179.24 178.38 2ccg h SER 96 N 0.74 0.54 -0.52 6.45 0.02 -1.69 0.67 113.55 119.76 2ccg h SER 96 Ca 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 2ccg h SER 96 Cb 0.25 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2ccg h SER 96 CO -0.10 0.38 0.28 0.28 -1.14 0.00 0.00 176.83 176.52 2ccg h SER 97 N 0.65 0.65 -0.57 3.07 0.02 -1.14 0.15 113.55 116.40 2ccg h SER 97 Ca 0.22 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2ccg h SER 97 Cb 0.01 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 2ccg h SER 97 CO -0.09 0.57 0.33 -0.07 -1.14 0.00 0.00 176.83 176.43 2ccg h LEU 98 N 0.69 0.53 -0.03 5.07 3.38 -0.65 0.36 115.31 124.67 2ccg h LEU 98 Ca 0.18 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2ccg h LEU 98 Cb 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ccg h LEU 98 CO -0.03 0.37 -0.07 0.00 0.09 0.00 0.00 178.44 178.80 2ccg h ALA 99 N 1.26 0.05 0.02 1.53 0.00 -0.61 0.78 119.26 122.29 2ccg h ALA 99 Ca 0.23 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ccg h ALA 99 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ccg h ALA 99 CO -0.11 -0.10 -0.01 1.88 0.00 0.00 0.00 179.25 180.91 2ccg h TYR 100 N -0.45 -0.02 0.01 0.00 -1.99 -0.67 0.30 116.97 114.15 2ccg h TYR 100 Ca -0.00 -0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.50 2ccg h TYR 100 Cb 0.68 0.01 0.02 0.00 2.00 0.00 0.00 36.73 39.43 2ccg h TYR 100 CO 0.13 0.25 -0.90 1.96 -0.00 0.00 0.00 178.16 179.60 2ccg h GLN 101 N -1.00 0.59 0.06 4.88 7.50 -1.15 0.26 115.11 126.25 2ccg h GLN 101 Ca -0.00 -0.65 -0.00 0.00 0.50 0.00 0.00 58.65 58.49 2ccg h GLN 101 Cb 0.28 0.19 0.00 0.00 0.05 0.00 0.00 27.48 28.00 2ccg h GLN 101 CO 0.00 1.25 -0.03 0.78 -1.50 0.00 0.00 178.83 179.34 2ccg h GLY 102 N 0.19 -0.08 0.10 3.46 0.00 -0.92 -3.00 103.07 102.82 2ccg h GLY 102 Ca -0.12 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2ccg h GLY 102 CO 0.18 -0.03 -0.05 -1.82 0.00 0.00 0.00 176.54 174.82 2ccg h TYR 103 N -0.15 -0.12 -0.47 5.60 3.20 -0.81 -1.57 116.97 122.65 2ccg h TYR 103 Ca -0.01 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2ccg h TYR 103 Cb 0.06 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 2ccg h TYR 103 CO 0.09 -0.08 0.13 0.00 -1.64 0.00 0.00 178.16 176.67 2ccg h ALA 104 N -1.63 0.55 0.00 1.82 0.00 -0.91 -1.94 119.26 117.15 2ccg h ALA 104 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2ccg h ALA 104 Cb 0.10 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ccg h ALA 104 CO 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 179.25 178.96 2ccg h ARG 105 N 0.29 0.00 0.00 0.00 2.47 -0.57 -3.48 114.38 113.08 2ccg h ARG 105 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2ccg h ARG 105 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2ccg h ARG 105 CO -0.26 0.04 0.00 0.41 0.56 0.00 0.00 179.97 180.72 2ccg n GLY 106 N 0.72 0.67 0.18 0.04 0.00 -0.73 -4.96 105.19 101.11 2ccg n GLY 106 Ca 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 2ccg n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ccg h ILE 107 N 0.00 1.35 0.00 -0.61 2.04 -1.30 -3.49 117.51 115.50 2ccg h ILE 107 Ca 0.00 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.13 2ccg h ILE 107 Cb 0.00 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2ccg h ILE 107 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 178.15 179.27 2ccg n GLY 108 N 0.02 2.67 0.26 5.37 0.00 -0.63 -4.81 105.19 108.06 2ccg n GLY 108 Ca -0.02 -1.00 0.03 0.00 0.00 0.00 0.00 46.02 45.03 2ccg n GLY 108 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ccg h VAL 109 N 0.00 0.43 -0.26 1.61 2.07 -1.85 -1.52 116.25 116.73 2ccg h VAL 109 Ca 0.00 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 2ccg h VAL 109 Cb 0.00 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2ccg h VAL 109 CO 0.00 0.02 -0.30 -0.33 0.02 0.00 0.00 177.57 176.98 2ccg h GLU 110 N 0.12 0.54 -0.46 1.57 4.39 -1.95 0.97 114.58 119.76 2ccg h GLU 110 Ca 0.37 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 2ccg h GLU 110 Cb 0.62 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2ccg h GLU 110 CO -0.58 0.79 -0.13 1.49 -1.16 0.00 0.00 179.01 179.41 2ccg h GLU 111 N 0.47 0.86 -0.00 2.33 4.81 -1.63 -0.88 114.58 120.53 2ccg h GLU 111 Ca 0.06 -0.31 -0.16 0.00 -0.13 0.00 0.00 59.36 58.82 2ccg h GLU 111 Cb 0.76 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 2ccg h GLU 111 CO 0.06 0.94 -0.78 0.28 -0.73 0.00 0.00 179.01 178.78 2ccg h VAL 112 N 0.77 1.56 -0.21 0.32 2.07 -1.12 -2.71 116.25 116.92 2ccg h VAL 112 Ca 0.12 -2.68 -0.12 0.00 0.82 0.00 0.00 66.70 64.84 2ccg h VAL 112 Cb 0.65 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2ccg h VAL 112 CO 0.05 0.77 -0.39 -0.09 0.02 0.00 0.00 177.57 177.92 2ccg h ARG 113 N 0.00 0.48 -0.46 1.57 2.43 -0.45 -2.06 114.38 115.90 2ccg h ARG 113 Ca -0.01 -0.24 -0.13 0.00 -0.81 0.00 0.00 59.98 58.80 2ccg h ARG 113 Cb 1.39 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2ccg h ARG 113 CO 0.10 0.80 -0.22 0.00 -1.51 0.00 0.00 179.97 179.14 2ccg h ALA 114 N 1.18 0.64 -0.05 2.80 0.00 -1.07 -1.32 119.26 121.45 2ccg h ALA 114 Ca 0.04 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2ccg h ALA 114 Cb 0.86 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2ccg h ALA 114 CO 0.07 0.63 -0.05 1.25 0.00 0.00 0.00 179.25 181.15 2ccg h LEU 115 N 0.79 -0.14 -1.60 0.00 5.85 -1.31 -2.58 115.31 116.32 2ccg h LEU 115 Ca 0.10 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2ccg h LEU 115 Cb 0.79 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 2ccg h LEU 115 CO 0.07 -0.07 -0.12 0.78 -0.34 0.00 0.00 178.44 178.76 2ccg h ASN 116 N -0.06 0.00 -0.04 1.25 2.35 -1.27 -2.59 115.58 115.22 2ccg h ASN 116 Ca 0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 2ccg h ASN 116 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2ccg h ASN 116 CO -0.08 0.12 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.22 2ccg h GLU 117 N 0.00 0.46 -0.26 0.81 4.39 -0.84 0.39 114.58 119.54 2ccg h GLU 117 Ca -0.00 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.43 2ccg h GLU 117 Cb 0.50 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2ccg h GLU 117 CO 0.02 0.69 -0.24 0.35 -1.16 0.00 0.00 179.01 178.67 2ccg h PHE 118 N 0.41 0.55 0.00 4.33 3.57 -1.29 0.85 116.94 125.36 2ccg h PHE 118 Ca 0.06 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2ccg h PHE 118 Cb 0.68 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2ccg h PHE 118 CO 0.02 0.69 -0.03 0.00 -2.23 0.00 0.00 178.31 176.77 2ccg h ALA 119 N 1.31 0.00 -0.01 2.41 0.00 -1.15 -3.35 119.26 118.47 2ccg h ALA 119 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ccg h ALA 119 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ccg h ALA 119 CO 0.05 -0.05 -0.20 0.44 0.00 0.00 0.00 179.25 179.49 2ccg n ILE 120 N -4.65 0.00 -4.06 0.00 -5.35 0.13 -4.60 119.36 100.82 2ccg n ILE 120 Ca -0.10 -0.17 -0.29 0.00 -0.27 0.00 0.00 62.75 61.92 2ccg n ILE 120 Cb 0.44 0.49 -0.03 0.00 -1.74 0.00 0.00 39.64 38.80 2ccg n ILE 120 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2ccg n ASN 121 N -0.37 -1.31 0.00 7.28 5.03 0.29 -0.87 115.26 125.31 2ccg n ASN 121 Ca 0.14 -1.02 0.00 0.00 0.87 0.00 0.00 54.58 54.57 2ccg n ASN 121 Cb 0.36 -2.89 0.00 0.00 -1.02 0.00 0.00 39.78 36.23 2ccg n ASN 121 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ccg n GLY 122 N -1.83 0.66 3.57 7.41 0.00 -1.24 -4.95 105.19 108.82 2ccg n GLY 122 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2ccg n GLY 122 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ccg s LEU 123 N 0.00 3.84 0.48 0.99 0.20 -0.05 -4.97 118.68 119.17 2ccg s LEU 123 Ca 0.00 -2.34 -0.09 0.00 0.69 0.00 0.00 54.13 52.38 2ccg s LEU 123 Cb 0.00 -2.57 -0.05 0.00 -0.43 0.00 0.00 46.19 43.14 2ccg s LEU 123 CO 0.00 -1.20 0.84 -0.31 -0.29 0.00 0.00 176.35 175.39 2ccg s TYR 124 N 4.24 3.53 0.51 5.38 1.51 -1.26 -4.97 117.35 126.29 2ccg s TYR 124 Ca 0.53 1.05 -0.22 0.00 -1.01 0.00 0.00 57.07 57.41 2ccg s TYR 124 Cb 0.03 -2.48 -0.06 0.00 -0.11 0.00 0.00 41.96 39.35 2ccg s TYR 124 CO 0.06 -0.29 1.26 -2.14 -1.11 0.00 0.00 175.55 173.33 2ccg s PRO 125 N -4.41 3.40 0.16 -1.71 0.02 -1.26 -4.93 135.00 126.27 2ccg s PRO 125 Ca 0.51 2.01 -0.09 0.00 0.02 0.00 0.00 61.00 63.45 2ccg s PRO 125 Cb -0.10 -2.30 0.02 0.00 0.02 0.00 0.00 34.50 32.13 2ccg s PRO 125 CO 0.40 -0.91 1.53 -0.44 -0.33 0.00 0.00 177.00 177.24 2ccg h ASP 126 N 1.68 0.96 -4.12 2.53 3.32 -0.33 -3.45 116.42 117.02 2ccg h ASP 126 Ca -0.50 -0.41 -0.19 0.00 0.02 0.00 0.00 57.03 55.95 2ccg h ASP 126 Cb 1.28 -0.27 -0.25 0.00 0.22 0.00 0.00 39.33 40.30 2ccg h ASP 126 CO 0.58 1.19 -0.62 -0.22 -1.72 0.00 0.00 179.24 178.46 2ccg s LEU 127 N -8.93 1.75 -0.17 1.55 2.96 -1.02 -4.72 118.68 110.11 2ccg s LEU 127 Ca -0.11 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2ccg s LEU 127 Cb 0.12 0.31 0.05 0.00 0.50 0.00 0.00 46.19 47.16 2ccg s LEU 127 CO 0.87 -0.12 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.89 2ccg s THR 128 N -0.39 0.78 -0.14 3.68 2.01 -0.39 -1.14 115.64 120.05 2ccg s THR 128 Ca -0.05 -0.53 -0.24 0.00 0.31 0.00 0.00 61.69 61.18 2ccg s THR 128 Cb -0.03 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 2ccg s THR 128 CO 0.00 -0.01 0.78 -0.63 -0.69 0.00 0.00 174.62 174.07 2ccg s ILE 129 N 1.76 4.94 -0.25 1.82 -1.09 0.85 -1.85 121.20 127.38 2ccg s ILE 129 Ca 0.00 1.55 -0.05 0.00 -2.23 0.00 0.00 60.65 59.92 2ccg s ILE 129 Cb -0.16 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 2ccg s ILE 129 CO -0.07 0.10 0.02 -0.47 -1.23 0.00 0.00 174.94 173.29 2ccg s TYR 130 N 1.71 3.06 -0.91 3.97 5.04 -0.78 -0.92 117.35 128.52 2ccg s TYR 130 Ca 0.38 -0.87 -0.22 0.00 -2.44 0.00 0.00 57.07 53.92 2ccg s TYR 130 Cb -0.17 -2.18 0.08 0.00 0.35 0.00 0.00 41.96 40.04 2ccg s TYR 130 CO 0.14 -0.52 1.25 -0.51 -1.34 0.00 0.00 175.55 174.57 2ccg s LEU 131 N 1.51 4.17 -0.93 6.97 1.43 -0.36 -0.97 118.68 130.50 2ccg s LEU 131 Ca 0.04 -1.52 -0.24 0.00 -1.03 0.00 0.00 54.13 51.38 2ccg s LEU 131 Cb -0.16 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.62 2ccg s LEU 131 CO 0.00 -1.36 1.41 0.21 0.23 0.00 0.00 176.35 176.84 2ccg s ASN 132 N 4.18 6.37 0.03 2.29 3.04 0.39 -4.44 114.94 126.80 2ccg s ASN 132 Ca 0.37 -1.13 0.04 0.00 0.04 0.00 0.00 52.86 52.18 2ccg s ASN 132 Cb -0.05 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 37.06 2ccg s ASN 132 CO -0.05 -1.63 -0.05 0.54 -3.04 0.00 0.00 177.10 172.87 2ccg s VAL 133 N 5.31 3.71 0.56 -5.21 0.11 -1.26 -0.90 120.40 122.72 2ccg s VAL 133 Ca 0.43 -0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 58.46 2ccg s VAL 133 Cb -0.03 -2.67 -0.06 0.00 -1.53 0.00 0.00 36.38 32.10 2ccg s VAL 133 CO -0.02 0.30 1.01 -0.94 -3.33 0.00 0.00 175.10 172.11 2ccg s SER 134 N -1.71 6.40 0.21 3.54 1.04 -1.26 -4.87 113.70 117.05 2ccg s SER 134 Ca 0.19 1.54 -0.09 0.00 0.48 0.00 0.00 55.95 58.07 2ccg s SER 134 Cb -0.11 -2.50 0.30 0.00 0.10 0.00 0.00 66.02 63.81 2ccg s SER 134 CO 0.11 -0.74 1.72 0.00 0.98 0.00 0.00 173.24 175.31 2ccg h ALA 135 N 0.42 0.77 -0.46 5.32 0.00 -1.96 0.40 119.26 123.75 2ccg h ALA 135 Ca -0.46 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2ccg h ALA 135 Cb 1.19 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2ccg h ALA 135 CO 0.61 -0.26 0.25 0.93 0.00 0.00 0.00 179.25 180.78 2ccg h GLU 136 N 0.33 0.65 -0.42 0.00 3.07 -1.99 0.34 114.58 116.56 2ccg h GLU 136 Ca 0.32 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 59.04 2ccg h GLU 136 Cb 0.45 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 2ccg h GLU 136 CO -0.36 0.52 0.02 0.28 -1.40 0.00 0.00 179.01 178.07 2ccg h VAL 137 N 0.61 1.26 -0.22 3.13 2.07 -1.86 -2.15 116.25 119.08 2ccg h VAL 137 Ca 0.16 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.73 2ccg h VAL 137 Cb 0.06 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2ccg h VAL 137 CO -0.03 0.34 0.01 1.23 0.02 0.00 0.00 177.57 179.14 2ccg h GLY 138 N 0.57 0.22 0.30 2.17 0.00 -0.49 -1.34 103.07 104.51 2ccg h GLY 138 Ca 0.12 0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.58 2ccg h GLY 138 CO 0.02 -0.04 0.28 -0.09 0.00 0.00 0.00 176.54 176.71 2ccg h ARG 139 N 0.08 0.45 -0.15 4.80 2.43 -0.14 -1.33 114.38 120.52 2ccg h ARG 139 Ca 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2ccg h ARG 139 Cb 0.13 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2ccg h ARG 139 CO -0.17 0.29 0.02 0.93 -1.51 0.00 0.00 179.97 179.54 2ccg h GLU 140 N 0.46 0.25 -0.87 0.20 4.39 -0.75 0.93 114.58 119.19 2ccg h GLU 140 Ca 0.36 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.00 2ccg h GLU 140 Cb 0.48 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2ccg h GLU 140 CO -0.34 0.43 0.57 0.00 -1.16 0.00 0.00 179.01 178.51 2ccg h ARG 141 N 0.03 1.14 -0.36 2.33 3.08 -0.99 0.81 114.38 120.43 2ccg h ARG 141 Ca 0.05 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 2ccg h ARG 141 Cb 0.30 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2ccg h ARG 141 CO 0.00 0.76 -0.23 0.82 -1.07 0.00 0.00 179.97 180.25 2ccg h ILE 142 N 1.18 1.29 -0.03 2.04 2.04 -1.10 -2.34 117.51 120.58 2ccg h ILE 142 Ca 0.32 -1.37 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 2ccg h ILE 142 Cb -0.13 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2ccg h ILE 142 CO -0.07 0.45 -0.27 0.40 0.00 0.00 0.00 178.15 178.67 2ccg h ILE 143 N 0.58 1.21 0.00 -0.67 2.04 -0.42 -1.30 117.51 118.96 2ccg h ILE 143 Ca 0.07 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2ccg h ILE 143 Cb 0.79 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2ccg h ILE 143 CO 0.06 0.28 0.00 0.50 0.00 0.00 0.00 178.15 179.00 2ccg h LYS 144 N 0.05 0.00 0.00 2.37 3.64 -0.34 -3.20 116.57 119.09 2ccg h LYS 144 Ca 0.01 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.04 2ccg h LYS 144 Cb 0.50 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 2ccg h LYS 144 CO 0.04 0.00 -2.30 0.09 -2.27 0.00 0.00 179.45 175.01 2ccg n ASN 145 N -2.83 0.78 0.00 4.20 3.02 -0.74 -5.07 115.26 114.61 2ccg n ASN 145 Ca 0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2ccg n ASN 145 Cb 0.31 0.66 0.00 0.00 -0.61 0.00 0.00 39.78 40.14 2ccg n ASN 145 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2ccg n SER 146 N -2.80 0.00 0.00 6.41 2.88 -0.57 -5.12 113.62 114.42 2ccg n SER 146 Ca -0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 2ccg n SER 146 Cb 1.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 2ccg n SER 146 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2ccg n LEU 152 N 0.00 0.00 0.00 2.46 7.94 -1.26 -4.64 117.00 121.50 2ccg n LEU 152 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2ccg n LEU 152 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2ccg n LEU 152 CO 0.00 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.75 2ccg n ASP 153 N -0.21 1.12 -0.01 1.96 9.92 -1.26 -5.06 116.55 123.00 2ccg n ASP 153 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 2ccg n ASP 153 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2ccg n ASP 153 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 2ccg h GLN 154 N 0.00 0.00 0.00 -1.24 3.07 -2.05 -2.86 115.11 112.03 2ccg h GLN 154 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ccg h GLN 154 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2ccg h GLN 154 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 178.83 179.97 2ccg h GLU 155 N -0.21 0.00 0.03 0.06 4.11 -2.00 1.34 114.58 117.91 2ccg h GLU 155 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.19 2ccg h GLU 155 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2ccg h GLU 155 CO 0.00 0.00 -1.21 -0.44 0.07 0.00 0.00 179.01 177.43 2ccg h ASP 156 N 0.00 0.11 0.94 3.06 3.32 -1.99 -1.04 116.42 120.81 2ccg h ASP 156 Ca 0.00 -0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.75 2ccg h ASP 156 Cb 0.01 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2ccg h ASP 156 CO 0.00 1.10 -0.83 0.25 -1.72 0.00 0.00 179.24 178.04 2ccg h LEU 157 N 0.02 0.00 0.00 1.55 5.85 0.17 -2.11 115.31 120.78 2ccg h LEU 157 Ca -0.10 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2ccg h LEU 157 Cb 1.87 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 2ccg h LEU 157 CO 0.14 0.83 -0.45 0.11 -0.34 0.00 0.00 178.44 178.73 2ccg h LYS 158 N 0.00 0.00 -0.11 1.25 1.79 0.13 -2.86 116.57 116.77 2ccg h LYS 158 Ca -0.01 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.22 2ccg h LYS 158 Cb 1.53 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.19 2ccg h LYS 158 CO 0.11 0.43 -0.85 0.35 -1.08 0.00 0.00 179.45 178.40 2ccg h PHE 159 N 0.00 1.08 -0.07 -1.35 3.04 -1.05 -2.05 116.94 116.54 2ccg h PHE 159 Ca -0.01 -0.51 0.01 0.00 3.98 0.00 0.00 57.97 61.44 2ccg h PHE 159 Cb 1.33 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.69 2ccg h PHE 159 CO 0.00 1.34 0.05 1.25 -2.02 0.00 0.00 178.31 178.93 2ccg h HIS 160 N 0.51 0.07 0.11 0.41 2.76 -1.34 -0.78 115.15 116.88 2ccg h HIS 160 Ca -0.07 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.84 2ccg h HIS 160 Cb 1.49 -0.02 0.03 0.00 1.55 0.00 0.00 27.41 30.46 2ccg h HIS 160 CO 0.09 0.04 -1.07 0.93 -1.30 0.00 0.00 177.93 176.62 2ccg h GLU 161 N 0.07 0.53 -0.84 5.26 5.08 -1.29 -3.05 114.58 120.34 2ccg h GLU 161 Ca 0.03 -0.72 0.03 0.00 -1.00 0.00 0.00 59.36 57.70 2ccg h GLU 161 Cb 0.03 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2ccg h GLU 161 CO -0.00 1.32 0.54 0.87 -1.00 0.00 0.00 179.01 180.73 2ccg h LYS 162 N 0.10 1.02 -0.06 2.33 1.57 -0.62 -0.28 116.57 120.63 2ccg h LYS 162 Ca -0.16 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2ccg h LYS 162 Cb 1.78 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.82 2ccg h LYS 162 CO 0.21 0.68 -0.18 0.28 -0.57 0.00 0.00 179.45 179.86 2ccg h VAL 163 N 1.05 0.56 -0.67 0.50 2.07 -1.21 0.43 116.25 118.98 2ccg h VAL 163 Ca 0.33 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.91 2ccg h VAL 163 Cb 0.00 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 2ccg h VAL 163 CO -0.11 0.00 0.37 0.40 0.02 0.00 0.00 177.57 178.25 2ccg h ILE 164 N -0.26 0.96 -0.32 4.57 2.04 -1.30 0.23 117.51 123.43 2ccg h ILE 164 Ca 0.07 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.73 2ccg h ILE 164 Cb 0.36 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2ccg h ILE 164 CO -0.21 0.12 0.13 -0.33 0.00 0.00 0.00 178.15 177.87 2ccg h GLU 165 N 0.68 0.28 -0.35 2.37 5.08 -0.35 0.70 114.58 122.99 2ccg h GLU 165 Ca 0.30 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 2ccg h GLU 165 Cb 0.20 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2ccg h GLU 165 CO -0.19 0.18 0.08 0.78 -1.00 0.00 0.00 179.01 178.87 2ccg h GLY 166 N 0.29 0.41 0.89 -3.84 0.00 0.14 -1.37 103.07 99.59 2ccg h GLY 166 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.45 2ccg h GLY 166 CO -0.12 -0.01 0.34 -0.97 0.00 0.00 0.00 176.54 175.78 2ccg h TYR 167 N 0.21 0.63 -0.99 5.60 0.05 -0.10 -1.87 116.97 120.50 2ccg h TYR 167 Ca 0.16 0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.11 2ccg h TYR 167 Cb 0.17 -0.21 -0.10 0.00 1.01 0.00 0.00 36.73 37.61 2ccg h TYR 167 CO -0.17 0.37 0.60 1.96 -1.05 0.00 0.00 178.16 179.87 2ccg h GLN 168 N 0.67 0.84 0.02 4.88 1.08 0.02 -0.66 115.11 121.95 2ccg h GLN 168 Ca 0.22 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2ccg h GLN 168 Cb 0.01 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.25 2ccg h GLN 168 CO -0.09 0.55 -0.01 1.49 -0.95 0.00 0.00 178.83 179.83 2ccg h GLU 169 N 0.86 -0.02 -0.63 1.46 4.57 -0.57 -3.25 114.58 117.00 2ccg h GLU 169 Ca 0.53 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.65 2ccg h GLU 169 Cb 0.68 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 2ccg h GLU 169 CO -0.32 0.25 0.15 0.82 -1.18 0.00 0.00 179.01 178.73 2ccg h ILE 170 N -0.29 1.25 0.78 2.32 2.04 -0.72 -3.35 117.51 119.54 2ccg h ILE 170 Ca -0.00 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 2ccg h ILE 170 Cb 0.28 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2ccg h ILE 170 CO 0.00 0.34 -0.47 0.40 0.00 0.00 0.00 178.15 178.42 2ccg h ILE 171 N 0.94 0.05 -0.28 -0.67 2.04 -1.18 -3.17 117.51 115.24 2ccg h ILE 171 Ca 0.20 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.87 2ccg h ILE 171 Cb 0.33 0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.39 2ccg h ILE 171 CO -0.00 0.00 0.17 1.41 0.00 0.00 0.00 178.15 179.73 2ccg n HIS 172 N -5.61 0.78 -0.11 1.37 8.25 -1.24 -2.17 115.22 116.49 2ccg n HIS 172 Ca -0.15 -1.53 0.00 0.00 -0.26 0.00 0.00 57.72 55.78 2ccg n HIS 172 Cb 0.49 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.74 2ccg n HIS 172 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2ccg n ASN 173 N 1.05 0.08 -2.70 0.41 5.15 -1.20 -4.85 115.26 113.20 2ccg n ASN 173 Ca 0.20 -0.35 -0.05 0.00 -0.60 0.00 0.00 54.58 53.78 2ccg n ASN 173 Cb 0.57 0.33 0.11 0.00 -0.53 0.00 0.00 39.78 40.26 2ccg n ASN 173 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ccg n GLU 174 N -0.33 1.30 -1.43 1.20 1.02 -0.92 -5.01 120.64 116.47 2ccg n GLU 174 Ca 0.00 -1.92 -0.39 0.00 -0.02 0.00 0.00 57.16 54.83 2ccg n GLU 174 Cb 0.03 -0.15 -0.02 0.00 -0.02 0.00 0.00 31.44 31.28 2ccg n GLU 174 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ccg n SER 175 N -0.88 6.29 0.00 1.62 2.88 -1.14 -2.99 113.62 119.40 2ccg n SER 175 Ca -0.06 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 2ccg n SER 175 Cb 0.85 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2ccg n SER 175 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ccg n GLN 176 N 4.78 0.00 -0.01 -1.46 10.64 -1.26 -4.74 117.38 125.34 2ccg n GLN 176 Ca 0.65 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 55.60 2ccg n GLN 176 Cb 0.30 -0.77 -0.14 0.00 -0.86 0.00 0.00 30.24 28.77 2ccg n GLN 176 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ccg h ARG 177 N 0.00 0.23 -6.68 2.61 3.08 -1.82 -3.48 114.38 108.32 2ccg h ARG 177 Ca 0.00 -0.39 -0.53 0.00 0.07 0.00 0.00 59.98 59.14 2ccg h ARG 177 Cb 0.88 0.14 0.05 0.00 0.08 0.00 0.00 29.97 31.12 2ccg h ARG 177 CO 0.00 1.19 0.80 -0.06 -1.07 0.00 0.00 179.97 180.82 2ccg s PHE 178 N -2.52 3.06 -0.14 3.04 2.99 -1.23 -1.26 117.98 121.92 2ccg s PHE 178 Ca -0.23 0.87 -0.04 0.00 0.00 0.00 0.00 56.93 57.54 2ccg s PHE 178 Cb 0.06 -3.84 0.05 0.00 0.00 0.00 0.00 43.02 39.29 2ccg s PHE 178 CO 0.74 -2.91 0.07 0.21 -0.00 0.00 0.00 175.22 173.34 2ccg s LYS 179 N 0.32 0.12 0.38 0.44 2.47 -0.77 -4.84 119.74 117.87 2ccg s LYS 179 Ca 0.64 -0.02 -0.07 0.00 -1.56 0.00 0.00 55.97 54.96 2ccg s LYS 179 Cb -0.42 -1.55 -0.05 0.00 -1.46 0.00 0.00 37.83 34.34 2ccg s LYS 179 CO 0.38 -0.58 0.70 0.45 0.16 0.00 0.00 175.35 176.45 2ccg s SER 180 N 2.11 6.44 0.01 1.43 0.15 -1.26 -1.86 113.70 120.72 2ccg s SER 180 Ca 0.02 0.94 0.01 0.00 0.70 0.00 0.00 55.95 57.62 2ccg s SER 180 Cb -0.15 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 2ccg s SER 180 CO -0.07 -0.37 -0.04 -0.69 1.20 0.00 0.00 173.24 173.27 2ccg s VAL 181 N -2.36 0.22 -0.66 4.45 1.01 -0.14 -4.88 120.40 118.04 2ccg s VAL 181 Ca 0.48 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.63 2ccg s VAL 181 Cb -0.10 -0.28 0.04 0.00 0.00 0.00 0.00 36.38 36.04 2ccg s VAL 181 CO 0.34 -0.23 1.10 0.21 0.00 0.00 0.00 175.10 176.52 2ccg s ASN 182 N -0.85 6.24 0.00 3.32 3.84 -1.26 -0.46 114.94 125.76 2ccg s ASN 182 Ca -0.07 -0.52 0.20 0.00 0.21 0.00 0.00 52.86 52.68 2ccg s ASN 182 Cb -0.06 -2.49 1.02 0.00 -0.55 0.00 0.00 41.25 39.17 2ccg s ASN 182 CO -0.00 -1.55 1.68 0.00 -2.79 0.00 0.00 177.10 174.44 2ccg n ALA 183 N 8.35 2.58 0.63 1.71 0.00 -0.07 -3.37 120.51 130.34 2ccg n ALA 183 Ca 0.01 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.31 2ccg n ALA 183 Cb 0.48 -1.23 0.39 0.00 0.00 0.00 0.00 19.45 19.09 2ccg n ALA 183 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ccg n ASP 184 N -0.37 0.81 -4.59 0.00 10.43 -1.24 -4.72 116.55 116.86 2ccg n ASP 184 Ca 0.15 0.55 -0.29 0.00 2.57 0.00 0.00 54.79 57.77 2ccg n ASP 184 Cb 0.17 -0.73 0.14 0.00 1.84 0.00 0.00 41.12 42.53 2ccg n ASP 184 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2ccg s GLN 185 N -3.10 1.22 0.56 -1.24 -0.21 -1.22 -5.00 119.66 110.67 2ccg s GLN 185 Ca 0.10 -0.01 -0.20 0.00 0.02 0.00 0.00 55.36 55.28 2ccg s GLN 185 Cb 0.12 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 2ccg s GLN 185 CO 0.60 -2.08 1.22 -2.14 -2.12 0.00 0.00 175.29 170.77 2ccg s PRO 186 N -5.60 3.13 0.34 2.91 0.02 -1.26 -4.76 135.00 129.79 2ccg s PRO 186 Ca 0.66 1.86 0.12 0.00 0.02 0.00 0.00 61.00 63.67 2ccg s PRO 186 Cb -0.10 -2.04 0.93 0.00 0.02 0.00 0.00 34.50 33.31 2ccg s PRO 186 CO 0.51 -1.09 1.75 -0.07 -0.33 0.00 0.00 177.00 177.78 2ccg h LEU 187 N 1.15 0.62 -1.19 -5.54 3.38 -1.94 -0.49 115.31 111.29 2ccg h LEU 187 Ca -0.50 0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.63 2ccg h LEU 187 Cb 1.29 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 2ccg h LEU 187 CO 0.56 0.14 0.56 -0.33 0.09 0.00 0.00 178.44 179.46 2ccg h GLU 188 N 0.56 0.98 -0.08 1.13 5.08 -2.00 -1.23 114.58 119.02 2ccg h GLU 188 Ca 0.61 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.68 2ccg h GLU 188 Cb 1.25 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 30.29 2ccg h GLU 188 CO -0.39 0.65 -0.88 -0.91 -1.00 0.00 0.00 179.01 176.48 2ccg h ASN 189 N 1.01 0.91 -0.74 1.42 2.35 -1.45 -2.68 115.58 116.40 2ccg h ASN 189 Ca 0.36 -0.68 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 2ccg h ASN 189 Cb 0.13 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 2ccg h ASN 189 CO -0.12 1.46 0.42 0.58 -1.65 0.00 0.00 177.43 178.12 2ccg h VAL 190 N 0.44 1.22 -0.06 2.81 2.07 -0.95 -0.80 116.25 120.98 2ccg h VAL 190 Ca -0.09 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2ccg h VAL 190 Cb 1.52 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2ccg h VAL 190 CO 0.18 0.24 -0.00 0.58 0.02 0.00 0.00 177.57 178.58 2ccg h VAL 191 N 1.04 1.25 -0.14 2.57 2.07 -1.23 -0.75 116.25 121.05 2ccg h VAL 191 Ca 0.27 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2ccg h VAL 191 Cb 0.00 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2ccg h VAL 191 CO -0.05 0.21 -0.06 -0.08 0.02 0.00 0.00 177.57 177.62 2ccg h GLU 192 N -0.18 -0.04 -0.46 1.57 4.57 -1.18 0.29 114.58 119.16 2ccg h GLU 192 Ca 0.02 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2ccg h GLU 192 Cb 0.34 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 2ccg h GLU 192 CO 0.00 -0.03 0.25 -0.44 -1.18 0.00 0.00 179.01 177.62 2ccg h ASP 193 N -0.04 0.38 -0.27 1.04 5.19 -1.12 -0.03 116.42 121.57 2ccg h ASP 193 Ca 0.08 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 2ccg h ASP 193 Cb 0.16 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 2ccg h ASP 193 CO -0.17 0.27 0.09 0.74 -3.12 0.00 0.00 179.24 177.05 2ccg h THR 194 N 0.50 1.19 -0.20 0.35 2.02 -0.74 -1.20 112.91 114.82 2ccg h THR 194 Ca 0.19 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 66.81 2ccg h THR 194 Cb 0.07 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2ccg h THR 194 CO -0.12 0.20 0.03 0.22 0.37 0.00 0.00 175.52 176.22 2ccg h TYR 195 N 0.27 0.05 -0.47 3.16 5.03 -0.01 -2.11 116.97 122.89 2ccg h TYR 195 Ca 0.09 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.46 2ccg h TYR 195 Cb 0.22 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 2ccg h TYR 195 CO -0.00 0.01 0.21 1.96 -1.32 0.00 0.00 178.16 179.02 2ccg h GLN 196 N 0.11 0.41 -0.76 1.82 1.08 -0.85 -0.23 115.11 116.68 2ccg h GLN 196 Ca 0.09 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.33 2ccg h GLN 196 Cb 0.09 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 2ccg h GLN 196 CO -0.13 0.27 0.50 1.15 -0.95 0.00 0.00 178.83 179.67 2ccg h THR 197 N 0.42 1.04 -0.02 -0.54 2.02 -0.87 -0.94 112.91 114.02 2ccg h THR 197 Ca 0.21 -0.28 -0.24 0.00 0.77 0.00 0.00 66.41 66.86 2ccg h THR 197 Cb 0.15 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2ccg h THR 197 CO -0.17 0.15 -0.96 0.40 0.37 0.00 0.00 175.52 175.31 2ccg h ILE 198 N 0.83 1.33 -0.43 3.11 2.04 -0.66 -2.82 117.51 120.90 2ccg h ILE 198 Ca 0.33 -2.28 -0.11 0.00 1.00 0.00 0.00 64.86 63.80 2ccg h ILE 198 Cb 0.22 2.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2ccg h ILE 198 CO -0.11 0.70 -0.17 -0.29 0.00 0.00 0.00 178.15 178.28 2ccg h ILE 199 N 0.35 1.27 -0.22 -0.67 2.10 -0.63 -1.52 117.51 118.19 2ccg h ILE 199 Ca -0.10 -1.27 -0.00 0.00 1.08 0.00 0.00 64.86 64.56 2ccg h ILE 199 Cb 1.60 1.11 -0.01 0.00 -1.09 0.00 0.00 36.82 38.43 2ccg h ILE 199 CO 0.18 0.43 0.12 0.11 -1.08 0.00 0.00 178.15 177.92 2ccg h LYS 200 N 0.73 0.31 -0.91 2.19 1.57 -1.20 -1.03 116.57 118.24 2ccg h LYS 200 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2ccg h LYS 200 Cb 0.68 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 2ccg h LYS 200 CO 0.05 0.28 0.51 -0.92 -0.57 0.00 0.00 179.45 178.80 2ccg h TYR 201 N 0.26 1.24 0.00 -1.35 3.20 -1.33 -2.22 116.97 116.76 2ccg h TYR 201 Ca 0.08 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2ccg h TYR 201 Cb 0.06 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.93 2ccg h TYR 201 CO -0.04 0.85 0.00 -0.07 -1.64 0.00 0.00 178.16 177.26 2ccg h LEU 202 N 1.27 0.00 0.10 2.82 3.38 -0.99 -3.34 115.31 118.55 2ccg h LEU 202 Ca 0.32 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.02 2ccg h LEU 202 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2ccg h LEU 202 CO -0.05 0.00 -1.41 -0.33 0.09 0.00 0.00 178.44 176.74 2ccg h GLU 203 N 0.00 0.21 -0.38 1.13 3.07 -0.79 -3.39 114.58 114.42 2ccg h GLU 203 Ca 0.00 -0.36 0.08 0.00 -0.50 0.00 0.00 59.36 58.58 2ccg h GLU 203 Cb 0.72 0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 28.68 2ccg h GLU 203 CO 0.00 1.17 -0.18 1.57 -1.40 0.00 0.00 179.01 180.17 2ccg h LYS 204 N -0.37 -0.11 0.00 2.33 2.10 -1.54 -3.51 116.57 115.47 2ccg h LYS 204 Ca -0.31 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2ccg h LYS 204 Cb 1.71 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 2ccg h LYS 204 CO 0.03 -0.07 0.00 -0.89 -2.00 0.00 0.00 179.45 176.52