#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqa s SER 2 N 0.00 -0.17 0.02 1.61 0.15 -1.26 -5.17 113.70 108.88 2cqa s SER 2 Ca 0.00 -0.77 0.02 0.00 0.70 0.00 0.00 55.95 55.89 2cqa s SER 2 Cb 0.00 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 2cqa s SER 2 CO 0.00 -1.21 0.02 -0.55 1.20 0.00 0.00 173.24 172.70 2cqa s SER 3 N -2.97 5.20 0.00 5.45 0.15 -1.26 -5.10 113.70 115.17 2cqa s SER 3 Ca 0.17 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2cqa s SER 3 Cb -0.03 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.92 2cqa s SER 3 CO 0.07 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2cqa n GLY 4 N 1.20 2.67 3.79 9.45 0.00 -1.26 -5.19 105.19 115.84 2cqa n GLY 4 Ca -0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 2cqa n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqa s SER 5 N 1.00 -0.15 0.69 1.61 0.01 -1.26 -5.17 113.70 110.43 2cqa s SER 5 Ca 0.00 -0.79 -0.09 0.00 1.31 0.00 0.00 55.95 56.38 2cqa s SER 5 Cb 0.00 0.72 0.03 0.00 0.21 0.00 0.00 66.02 66.99 2cqa s SER 5 CO 0.00 -1.37 1.04 -0.44 0.41 0.00 0.00 173.24 172.89 2cqa s SER 6 N -2.97 5.18 0.01 2.44 0.01 -1.26 -4.74 113.70 112.37 2cqa s SER 6 Ca 0.14 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2cqa s SER 6 Cb -0.05 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2cqa s SER 6 CO 0.09 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 172.92 2cqa n GLY 7 N -2.93 0.93 3.68 3.44 0.00 -1.26 -4.97 105.19 104.07 2cqa n GLY 7 Ca 0.07 -0.85 -0.47 0.00 0.00 0.00 0.00 46.02 44.76 2cqa n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2cqa n LYS 8 N 0.00 2.18 -3.89 1.61 3.00 -1.26 -4.96 118.16 114.84 2cqa n LYS 8 Ca 0.00 0.80 -0.35 0.00 -0.00 0.00 0.00 58.31 58.75 2cqa n LYS 8 Cb 0.00 -2.61 -0.14 0.00 0.00 0.00 0.00 35.03 32.28 2cqa n LYS 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2cqa s GLU 9 N 2.68 3.30 -0.29 1.64 2.12 -1.26 -4.95 118.70 121.94 2cqa s GLU 9 Ca 0.86 -0.68 -0.21 0.00 0.36 0.00 0.00 54.97 55.30 2cqa s GLU 9 Cb -0.68 -3.05 0.17 0.00 0.26 0.00 0.00 34.13 30.83 2cqa s GLU 9 CO 0.45 -0.24 1.20 -1.83 -0.54 0.00 0.00 175.26 174.30 2cqa s GLU 10 N 1.47 0.23 -0.29 4.30 -1.05 -1.26 -5.14 118.70 116.96 2cqa s GLU 10 Ca 0.05 0.33 0.01 0.00 -0.15 0.00 0.00 54.97 55.21 2cqa s GLU 10 Cb -0.15 0.09 0.06 0.00 -0.44 0.00 0.00 34.13 33.69 2cqa s GLU 10 CO -0.03 -0.04 -0.03 0.95 0.95 0.00 0.00 175.26 177.07 2cqa s THR 11 N 0.59 2.57 -0.31 1.83 -4.23 -1.26 -4.96 115.64 109.86 2cqa s THR 11 Ca -0.01 -1.65 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 2cqa s THR 11 Cb -0.04 -2.56 0.52 0.00 1.34 0.00 0.00 72.50 71.76 2cqa s THR 11 CO -0.12 -0.17 1.50 -0.62 -0.54 0.00 0.00 174.62 174.68 2cqa n GLU 12 N 4.49 1.92 -3.75 3.99 1.02 -1.26 -4.95 120.64 122.10 2cqa n GLU 12 Ca -0.11 -3.22 -0.15 0.00 -0.02 0.00 0.00 57.16 53.66 2cqa n GLU 12 Cb 0.42 -1.87 -0.16 0.00 -0.02 0.00 0.00 31.44 29.82 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2cqa s ILE 13 N -3.33 -0.07 -0.14 -3.67 -1.09 -1.26 -1.21 121.20 110.43 2cqa s ILE 13 Ca 0.46 0.23 -0.01 0.00 -2.23 0.00 0.00 60.65 59.10 2cqa s ILE 13 Cb 0.42 -0.16 0.04 0.00 -1.58 0.00 0.00 42.46 41.18 2cqa s ILE 13 CO 0.00 0.09 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.15 2cqa s ILE 14 N 1.26 0.78 -0.08 2.92 1.01 -0.99 -4.96 121.20 121.14 2cqa s ILE 14 Ca -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 2cqa s ILE 14 Cb -0.12 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2cqa s ILE 14 CO -0.04 0.13 0.01 -0.70 0.00 0.00 0.00 174.94 174.34 2cqa s GLU 15 N 1.78 3.00 0.22 2.79 -6.30 -1.26 -2.05 118.70 116.88 2cqa s GLU 15 Ca 0.02 -0.40 -0.19 0.00 -2.50 0.00 0.00 54.97 51.90 2cqa s GLU 15 Cb -0.14 -2.81 0.03 0.00 0.00 0.00 0.00 34.13 31.21 2cqa s GLU 15 CO -0.07 0.71 0.59 0.20 0.02 0.00 0.00 175.26 176.70 2cqa s GLY 16 N -0.91 -0.12 -0.55 -1.50 0.00 -1.14 -4.78 107.32 98.31 2cqa s GLY 16 Ca 0.14 -0.19 -0.28 0.00 0.00 0.00 0.00 44.72 44.38 2cqa s GLY 16 CO 0.03 -0.18 1.14 1.85 0.00 0.00 0.00 173.10 175.94 2cqa s GLU 17 N -3.88 3.53 -0.60 2.90 2.12 -1.23 -2.88 118.70 118.66 2cqa s GLU 17 Ca 0.10 0.24 -0.38 0.00 0.36 0.00 0.00 54.97 55.29 2cqa s GLU 17 Cb -0.02 -3.99 -0.18 0.00 0.26 0.00 0.00 34.13 30.19 2cqa s GLU 17 CO -0.00 -1.58 2.31 0.28 -0.54 0.00 0.00 175.26 175.72 2cqa n VAL 18 N 6.64 0.03 -0.09 3.70 0.31 0.25 -2.90 118.33 126.28 2cqa n VAL 18 Ca 0.08 -0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.17 2cqa n VAL 18 Cb 0.49 -0.83 -0.09 0.00 -0.91 0.00 0.00 33.84 32.50 2cqa n VAL 18 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2cqa h VAL 19 N 7.31 0.85 -2.60 2.52 2.07 -0.53 0.18 116.25 126.06 2cqa h VAL 19 Ca -0.13 -1.89 -0.09 0.00 0.82 0.00 0.00 66.70 65.41 2cqa h VAL 19 Cb 1.37 1.86 -0.20 0.00 -1.52 0.00 0.00 31.29 32.80 2cqa h VAL 19 CO 1.16 0.29 -0.09 -0.70 0.02 0.00 0.00 177.57 178.25 2cqa s GLU 20 N -2.24 0.80 -0.05 1.57 2.56 -1.18 -4.67 118.70 115.49 2cqa s GLU 20 Ca -0.22 0.09 0.01 0.00 0.00 0.00 0.00 54.97 54.85 2cqa s GLU 20 Cb 0.03 0.37 0.02 0.00 2.00 0.00 0.00 34.13 36.55 2cqa s GLU 20 CO 0.49 -0.22 -0.06 0.42 -0.56 0.00 0.00 175.26 175.33 2cqa s ILE 21 N -1.07 0.66 0.04 -3.70 1.01 -1.26 -1.79 121.20 115.10 2cqa s ILE 21 Ca -0.11 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.36 2cqa s ILE 21 Cb -0.03 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2cqa s ILE 21 CO 0.06 0.25 -0.07 -1.10 0.00 0.00 0.00 174.94 174.09 2cqa s GLN 22 N 0.89 0.53 -0.00 2.79 -0.21 -0.38 -4.99 119.66 118.28 2cqa s GLN 22 Ca -0.11 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 54.47 2cqa s GLN 22 Cb -0.15 -0.20 -0.00 0.00 1.00 0.00 0.00 33.01 33.66 2cqa s GLN 22 CO 0.01 0.02 -0.03 0.42 -2.12 0.00 0.00 175.29 173.59 2cqa s ILE 23 N -1.70 0.24 -0.19 1.08 1.09 -1.26 0.01 121.20 120.48 2cqa s ILE 23 Ca -0.08 -0.13 -0.03 0.00 -1.10 0.00 0.00 60.65 59.30 2cqa s ILE 23 Cb -0.08 -0.21 -0.02 0.00 -1.06 0.00 0.00 42.46 41.10 2cqa s ILE 23 CO -0.01 0.07 -0.05 -1.81 -0.10 0.00 0.00 174.94 173.04 2cqa s ASP 24 N -0.08 4.47 0.07 3.58 1.11 -0.65 -4.97 116.67 120.21 2cqa s ASP 24 Ca 0.01 -0.28 -0.11 0.00 0.18 0.00 0.00 52.55 52.35 2cqa s ASP 24 Cb -0.01 -1.74 -0.06 0.00 1.07 0.00 0.00 42.92 42.17 2cqa s ASP 24 CO -0.00 0.07 0.41 -0.13 1.18 0.00 0.00 175.17 176.70 2cqa s ARG 25 N 0.94 3.81 0.50 8.23 1.81 -1.26 -3.38 118.95 129.60 2cqa s ARG 25 Ca -0.00 0.25 -0.21 0.00 -1.72 0.00 0.00 55.73 54.05 2cqa s ARG 25 Cb -0.15 -3.04 -0.07 0.00 -0.45 0.00 0.00 34.95 31.25 2cqa s ARG 25 CO 0.01 0.58 1.15 -1.25 -0.68 0.00 0.00 175.30 175.11 2cqa s PRO 26 N -1.74 3.54 -0.18 3.54 0.04 -1.26 -5.00 135.00 133.95 2cqa s PRO 26 Ca 0.31 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 2cqa s PRO 26 Cb -0.15 -2.19 -0.14 0.00 0.04 0.00 0.00 34.50 32.06 2cqa s PRO 26 CO 0.17 -0.71 0.14 0.00 0.04 0.00 0.00 177.00 176.64 2cqa h ALA 27 N 1.59 0.15 -2.40 8.56 0.00 -1.97 -3.48 119.26 121.71 2cqa h ALA 27 Ca -0.50 -0.89 -0.46 0.00 0.00 0.00 0.00 54.91 53.06 2cqa h ALA 27 Cb 1.26 0.57 0.14 0.00 0.00 0.00 0.00 17.79 19.76 2cqa h ALA 27 CO 0.58 0.55 0.25 -0.08 0.00 0.00 0.00 179.25 180.55 2cqa s THR 28 N -2.27 2.22 0.00 0.00 -1.32 -1.26 -5.01 115.64 107.99 2cqa s THR 28 Ca -0.23 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 2cqa s THR 28 Cb 0.04 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 2cqa s THR 28 CO 0.46 -0.09 0.32 0.61 -2.21 0.00 0.00 174.62 173.71 2cqa n GLY 29 N -1.53 -2.59 3.67 6.08 0.00 -1.26 -4.48 105.19 105.07 2cqa n GLY 29 Ca 0.06 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 2cqa n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqa s THR 30 N -0.64 4.75 0.00 2.61 2.01 -1.26 -4.97 115.64 118.15 2cqa s THR 30 Ca 0.00 1.91 0.00 0.00 0.31 0.00 0.00 61.69 63.91 2cqa s THR 30 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2cqa s THR 30 CO 0.00 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 2cqa n GLY 31 N 3.35 3.53 3.35 4.40 0.00 -1.26 -5.06 105.19 113.50 2cqa n GLY 31 Ca 0.09 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 2cqa n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqa s SER 32 N 1.86 1.64 -0.06 1.61 1.04 -1.26 -5.07 113.70 113.46 2cqa s SER 32 Ca 0.00 -1.54 0.05 0.00 0.48 0.00 0.00 55.95 54.94 2cqa s SER 32 Cb 0.00 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 2cqa s SER 32 CO 0.00 -0.86 -0.20 -0.54 0.98 0.00 0.00 173.24 172.62 2cqa s LYS 33 N -3.84 2.24 -0.14 4.02 1.02 -1.26 -4.03 119.74 117.75 2cqa s LYS 33 Ca 0.35 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 2cqa s LYS 33 Cb 0.05 -1.86 0.04 0.00 -0.52 0.00 0.00 37.83 35.54 2cqa s LYS 33 CO 0.17 0.25 -0.02 0.14 -0.92 0.00 0.00 175.35 174.98 2cqa s VAL 34 N 0.09 0.72 0.20 3.17 -7.23 -1.22 -2.82 120.40 113.32 2cqa s VAL 34 Ca -0.07 -0.33 0.07 0.00 -1.81 0.00 0.00 61.98 59.84 2cqa s VAL 34 Cb -0.14 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2cqa s VAL 34 CO 0.04 0.12 0.05 -0.83 -0.31 0.00 0.00 175.10 174.17 2cqa s GLY 35 N 1.81 1.66 -0.21 2.32 0.00 0.21 -1.63 107.32 111.47 2cqa s GLY 35 Ca 0.02 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.33 2cqa s GLY 35 CO -0.07 -1.44 -0.12 1.25 0.00 0.00 0.00 173.10 172.73 2cqa s LYS 36 N -3.25 2.98 0.06 2.90 2.20 0.10 -0.01 119.74 124.72 2cqa s LYS 36 Ca 0.30 -0.86 0.06 0.00 -0.36 0.00 0.00 55.97 55.11 2cqa s LYS 36 Cb -0.09 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 2cqa s LYS 36 CO 0.21 -0.29 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.61 2cqa s LEU 37 N 1.33 2.89 -0.15 5.43 2.96 -1.08 -1.25 118.68 128.81 2cqa s LEU 37 Ca 0.03 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2cqa s LEU 37 Cb -0.15 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 44.89 2cqa s LEU 37 CO -0.08 0.23 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.27 2cqa s THR 38 N -1.05 0.86 -0.05 3.68 2.01 -0.74 -0.69 115.64 119.66 2cqa s THR 38 Ca 0.18 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.78 2cqa s THR 38 Cb -0.11 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 2cqa s THR 38 CO 0.09 0.12 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.21 2cqa s LEU 39 N 1.74 2.56 -0.64 4.42 1.02 -1.08 0.22 118.68 126.92 2cqa s LEU 39 Ca 0.02 -0.28 -0.22 0.00 0.02 0.00 0.00 54.13 53.67 2cqa s LEU 39 Cb -0.15 -1.51 0.08 0.00 0.02 0.00 0.00 46.19 44.64 2cqa s LEU 39 CO -0.07 0.32 0.90 -0.75 0.02 0.00 0.00 176.35 176.77 2cqa s LYS 40 N -0.58 3.10 -0.03 1.70 2.20 -1.14 -1.23 119.74 123.76 2cqa s LYS 40 Ca 0.08 -0.95 0.03 0.00 -0.36 0.00 0.00 55.97 54.78 2cqa s LYS 40 Cb -0.11 -4.24 -0.00 0.00 -1.51 0.00 0.00 37.83 31.97 2cqa s LYS 40 CO 0.01 -1.75 -0.12 0.95 -0.36 0.00 0.00 175.35 174.08 2cqa s THR 41 N 3.72 1.01 -0.88 3.43 -4.23 0.39 -3.50 115.64 115.59 2cqa s THR 41 Ca 0.20 -0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 60.19 2cqa s THR 41 Cb -0.19 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.75 2cqa s THR 41 CO 0.09 0.30 0.75 0.41 -0.54 0.00 0.00 174.62 175.63 2cqa n THR 42 N 3.17 -6.05 -1.89 3.99 -1.04 -1.26 -2.39 114.28 108.81 2cqa n THR 42 Ca -0.18 -0.72 -0.09 0.00 -2.04 0.00 0.00 64.05 61.02 2cqa n THR 42 Cb 0.54 -5.11 -0.02 0.00 -1.82 0.00 0.00 70.33 63.92 2cqa n THR 42 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2cqa n GLU 43 N -3.15 -1.86 -3.58 -2.82 1.02 -1.26 -4.86 120.64 104.13 2cqa n GLU 43 Ca -0.14 0.46 -0.15 0.00 -0.02 0.00 0.00 57.16 57.31 2cqa n GLU 43 Cb 0.61 -4.83 -0.06 0.00 -0.02 0.00 0.00 31.44 27.14 2cqa n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cqa s MET 44 N -3.94 1.00 -0.10 3.49 0.23 -1.00 -5.16 119.30 113.81 2cqa s MET 44 Ca 0.00 -0.08 -0.04 0.00 -1.03 0.00 0.00 55.69 54.54 2cqa s MET 44 Cb 0.00 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 33.72 2cqa s MET 44 CO 0.00 -0.34 0.08 -1.21 -2.03 0.00 0.00 175.02 171.52 2cqa s GLU 45 N -1.92 3.23 -0.04 3.16 2.02 -1.26 0.15 118.70 124.03 2cqa s GLU 45 Ca -0.08 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.68 2cqa s GLU 45 Cb -0.01 -3.00 -0.00 0.00 0.10 0.00 0.00 34.13 31.21 2cqa s GLU 45 CO 0.03 0.74 -0.14 0.99 0.02 0.00 0.00 175.26 176.89 2cqa s THR 46 N -0.98 1.22 -0.09 3.63 2.01 -0.36 -4.94 115.64 116.13 2cqa s THR 46 Ca 0.15 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.28 2cqa s THR 46 Cb -0.12 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 2cqa s THR 46 CO 0.04 0.36 0.87 -0.63 -0.69 0.00 0.00 174.62 174.56 2cqa s ILE 47 N 0.12 4.90 -0.20 1.82 1.01 -1.26 -2.65 121.20 124.95 2cqa s ILE 47 Ca -0.04 1.77 -0.02 0.00 0.00 0.00 0.00 60.65 62.36 2cqa s ILE 47 Cb -0.11 -4.19 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 2cqa s ILE 47 CO 0.02 0.11 -0.09 -0.31 0.00 0.00 0.00 174.94 174.67 2cqa s TYR 48 N 1.48 2.89 -0.14 3.97 2.02 0.13 -4.98 117.35 122.72 2cqa s TYR 48 Ca 0.43 -1.05 -0.29 0.00 -0.37 0.00 0.00 57.07 55.80 2cqa s TYR 48 Cb -0.18 -2.02 -0.06 0.00 -0.40 0.00 0.00 41.96 39.30 2cqa s TYR 48 CO 0.19 -0.55 2.01 -0.51 -1.57 0.00 0.00 175.55 175.12 2cqa s ASP 49 N 1.24 5.96 -0.22 2.29 1.01 -1.26 -2.65 116.67 123.03 2cqa s ASP 49 Ca 0.03 2.06 -0.20 0.00 0.71 0.00 0.00 52.55 55.15 2cqa s ASP 49 Cb -0.14 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 2cqa s ASP 49 CO -0.04 -1.53 0.60 -0.76 0.21 0.00 0.00 175.17 173.65 2cqa s LEU 50 N 6.44 4.11 0.65 1.23 1.43 0.98 -4.97 118.68 128.55 2cqa s LEU 50 Ca 0.90 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.70 2cqa s LEU 50 Cb -0.34 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.12 2cqa s LEU 50 CO 0.36 -0.29 0.93 -0.83 0.23 0.00 0.00 176.35 176.75 2cqa s GLY 51 N 1.32 1.76 0.40 -3.19 0.00 -1.26 -0.62 107.32 105.73 2cqa s GLY 51 Ca 0.26 -1.19 0.14 0.00 0.00 0.00 0.00 44.72 43.93 2cqa s GLY 51 CO 0.09 -0.80 1.88 -0.84 0.00 0.00 0.00 173.10 173.43 2cqa h THR 52 N -0.36 0.76 -0.06 0.90 2.02 -1.94 -1.26 112.91 112.96 2cqa h THR 52 Ca -0.42 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 66.49 2cqa h THR 52 Cb 1.30 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2cqa h THR 52 CO 0.54 0.09 -0.34 0.11 0.37 0.00 0.00 175.52 176.29 2cqa h LYS 53 N 0.50 0.35 -0.45 6.66 6.56 -1.93 -3.00 116.57 125.25 2cqa h LYS 53 Ca 0.43 -0.29 0.08 0.00 -1.06 0.00 0.00 60.65 59.81 2cqa h LYS 53 Cb 0.92 0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 32.58 2cqa h LYS 53 CO -0.17 0.93 0.07 0.52 -2.06 0.00 0.00 179.45 178.75 2cqa h MET 54 N -0.15 0.20 -0.06 3.15 2.86 -1.50 -2.38 114.93 117.05 2cqa h MET 54 Ca -0.02 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2cqa h MET 54 Cb 1.00 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 2cqa h MET 54 CO 0.07 0.13 -0.08 0.82 1.06 0.00 0.00 176.91 178.91 2cqa h ILE 55 N 0.20 0.78 -0.47 -1.22 2.04 -1.37 -0.90 117.51 116.58 2cqa h ILE 55 Ca 0.22 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.22 2cqa h ILE 55 Cb 0.29 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2cqa h ILE 55 CO -0.31 0.00 0.77 -0.33 0.00 0.00 0.00 178.15 178.29 2cqa h GLU 56 N -0.11 0.00 0.12 2.37 4.39 -1.28 0.67 114.58 120.74 2cqa h GLU 56 Ca 0.05 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.40 2cqa h GLU 56 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2cqa h GLU 56 CO -0.12 0.00 -1.89 0.77 -1.16 0.00 0.00 179.01 176.60 2cqa h SER 57 N 0.00 0.40 0.84 1.42 0.02 -1.06 -3.20 113.55 111.97 2cqa h SER 57 Ca 0.22 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2cqa h SER 57 Cb 1.77 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.18 2cqa h SER 57 CO -0.00 1.72 0.00 -0.07 -1.14 0.00 0.00 176.83 177.33 2cqa h LEU 58 N 0.07 0.00 0.12 5.07 3.38 0.84 -2.79 115.31 121.99 2cqa h LEU 58 Ca -0.38 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.24 2cqa h LEU 58 Cb 2.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 2cqa h LEU 58 CO 0.11 0.00 -1.89 0.71 0.09 0.00 0.00 178.44 177.46 2cqa h THR 59 N 0.00 0.74 -0.44 0.22 1.35 -1.14 -1.20 112.91 112.44 2cqa h THR 59 Ca 0.00 -2.45 -0.09 0.00 -0.55 0.00 0.00 66.41 63.32 2cqa h THR 59 Cb 0.42 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.37 2cqa h THR 59 CO 0.00 0.83 -0.08 0.50 -0.25 0.00 0.00 175.52 176.52 2cqa h LYS 60 N 0.07 0.77 -0.02 4.72 3.64 -1.51 -2.57 116.57 121.67 2cqa h LYS 60 Ca -0.38 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 2cqa h LYS 60 Cb 2.04 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 2cqa h LYS 60 CO 0.11 0.83 -0.19 -0.25 -2.27 0.00 0.00 179.45 177.68 2cqa n ASP 61 N -4.18 1.75 -2.96 4.20 9.92 -1.07 -4.94 116.55 119.27 2cqa n ASP 61 Ca 0.02 -1.41 -0.20 0.00 -0.53 0.00 0.00 54.79 52.67 2cqa n ASP 61 Cb 0.35 0.15 0.01 0.00 -0.64 0.00 0.00 41.12 40.98 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2cqa n LYS 62 N 0.09 -3.44 -1.50 -1.24 5.02 -0.97 -4.84 118.16 111.28 2cqa n LYS 62 Ca 0.14 0.68 -0.47 0.00 -2.02 0.00 0.00 58.31 56.63 2cqa n LYS 62 Cb 0.42 -5.41 -0.03 0.00 -0.02 0.00 0.00 35.03 30.00 2cqa n LYS 62 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2cqa n VAL 63 N -3.99 1.76 -4.10 -0.18 0.31 -0.49 -4.98 118.33 106.66 2cqa n VAL 63 Ca -0.10 -0.44 -0.10 0.00 -0.01 0.00 0.00 64.34 63.70 2cqa n VAL 63 Cb 0.59 -0.50 -0.09 0.00 -0.91 0.00 0.00 33.84 32.93 2cqa n VAL 63 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2cqa s GLN 64 N -1.09 0.97 0.52 5.55 -0.21 -1.26 -4.96 119.66 119.18 2cqa s GLN 64 Ca 0.64 -1.37 -0.22 0.00 0.02 0.00 0.00 55.36 54.43 2cqa s GLN 64 Cb -0.85 0.27 -0.06 0.00 1.00 0.00 0.00 33.01 33.38 2cqa s GLN 64 CO 0.57 -0.29 1.35 0.00 -2.12 0.00 0.00 175.29 174.79 2cqa s ALA 65 N -4.02 2.90 0.00 6.09 0.00 -1.26 -3.05 121.76 122.41 2cqa s ALA 65 Ca 0.22 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2cqa s ALA 65 Cb 0.07 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2cqa s ALA 65 CO 0.01 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2cqa n GLY 66 N 0.68 2.98 3.96 0.00 0.00 0.62 -5.02 105.19 108.41 2cqa n GLY 66 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2cqa n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqa s ASP 67 N -0.29 5.01 -0.26 1.61 1.01 -1.17 -4.79 116.67 117.79 2cqa s ASP 67 Ca 0.00 0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.34 2cqa s ASP 67 Cb 0.00 -0.83 0.05 0.00 1.01 0.00 0.00 42.92 43.14 2cqa s ASP 67 CO 0.00 -1.37 -0.07 -0.69 0.21 0.00 0.00 175.17 173.24 2cqa s VAL 68 N -2.96 2.57 0.19 -1.27 1.01 0.27 0.87 120.40 121.08 2cqa s VAL 68 Ca 0.59 -1.35 0.10 0.00 0.00 0.00 0.00 61.98 61.32 2cqa s VAL 68 Cb -0.10 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2cqa s VAL 68 CO 0.41 0.06 -0.16 0.27 0.00 0.00 0.00 175.10 175.68 2cqa s ILE 69 N 1.22 2.83 0.35 2.22 -5.25 -1.14 -1.49 121.20 119.94 2cqa s ILE 69 Ca -0.04 -1.83 0.07 0.00 -0.99 0.00 0.00 60.65 57.85 2cqa s ILE 69 Cb -0.18 -2.39 -0.02 0.00 2.95 0.00 0.00 42.46 42.82 2cqa s ILE 69 CO -0.04 -0.12 0.37 0.42 -1.79 0.00 0.00 174.94 173.78 2cqa s THR 70 N -1.72 3.51 -0.16 8.37 -4.23 -0.04 -2.90 115.64 118.49 2cqa s THR 70 Ca 0.23 -1.24 -0.03 0.00 -1.18 0.00 0.00 61.69 59.48 2cqa s THR 70 Cb -0.08 -3.20 0.05 0.00 1.34 0.00 0.00 72.50 70.60 2cqa s THR 70 CO 0.13 -0.13 0.04 -0.63 -0.54 0.00 0.00 174.62 173.49 2cqa s ILE 71 N -2.30 0.34 -0.50 2.99 1.01 -0.87 -3.01 121.20 118.87 2cqa s ILE 71 Ca 0.44 -0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.62 2cqa s ILE 71 Cb -0.07 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.67 2cqa s ILE 71 CO 0.28 -0.10 0.58 -1.81 0.00 0.00 0.00 174.94 173.90 2cqa s ASP 72 N 1.95 6.21 0.38 3.58 1.11 0.24 -2.33 116.67 127.82 2cqa s ASP 72 Ca 0.01 -0.96 0.18 0.00 0.18 0.00 0.00 52.55 51.96 2cqa s ASP 72 Cb -0.16 -2.27 0.77 0.00 1.07 0.00 0.00 42.92 42.33 2cqa s ASP 72 CO -0.07 -0.84 1.79 0.11 1.18 0.00 0.00 175.17 177.33 2cqa h LYS 73 N 8.95 0.00 -0.32 8.23 1.57 -1.45 1.14 116.57 134.69 2cqa h LYS 73 Ca -0.28 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.57 2cqa h LYS 73 Cb 1.10 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 2cqa h LYS 73 CO 0.95 0.36 -0.32 0.00 -0.57 0.00 0.00 179.45 179.87 2cqa h ALA 74 N 1.64 -0.22 0.00 3.86 0.00 -1.91 -3.20 119.26 119.42 2cqa h ALA 74 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2cqa h ALA 74 Cb 0.78 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2cqa h ALA 74 CO 0.05 -0.74 -1.10 -2.37 0.00 0.00 0.00 179.25 175.09 2cqa n THR 75 N -5.41 0.00 -1.46 0.00 5.66 -1.22 -5.01 114.28 106.85 2cqa n THR 75 Ca -0.00 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2cqa n THR 75 Cb 0.33 0.53 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 2cqa n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cqa n GLY 76 N 1.69 0.73 3.92 1.09 0.00 0.39 -5.07 105.19 107.95 2cqa n GLY 76 Ca -0.01 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 2cqa n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqa s LYS 77 N -3.13 3.31 -0.09 1.61 -0.14 -0.86 -4.49 119.74 115.94 2cqa s LYS 77 Ca 0.00 -0.78 0.02 0.00 -1.36 0.00 0.00 55.97 53.85 2cqa s LYS 77 Cb 0.00 -2.83 0.02 0.00 -1.68 0.00 0.00 37.83 33.33 2cqa s LYS 77 CO 0.00 0.45 -0.13 0.42 -0.76 0.00 0.00 175.35 175.34 2cqa s ILE 78 N -1.93 1.27 0.16 2.17 1.01 -1.26 -0.59 121.20 122.03 2cqa s ILE 78 Ca 0.34 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.55 2cqa s ILE 78 Cb -0.09 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 2cqa s ILE 78 CO 0.28 0.39 -0.06 -0.55 0.00 0.00 0.00 174.94 175.00 2cqa s SER 79 N 0.95 4.48 -0.11 3.58 0.15 -1.16 -4.86 113.70 116.73 2cqa s SER 79 Ca -0.08 -0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.05 2cqa s SER 79 Cb -0.15 -0.86 -0.04 0.00 -1.71 0.00 0.00 66.02 63.27 2cqa s SER 79 CO -0.00 0.12 0.08 -0.75 1.20 0.00 0.00 173.24 173.89 2cqa s LYS 80 N -2.73 3.26 0.00 5.44 2.20 -1.26 -0.86 119.74 125.79 2cqa s LYS 80 Ca 0.25 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 2cqa s LYS 80 Cb -0.09 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2cqa s LYS 80 CO 0.16 0.75 0.00 1.28 -0.36 0.00 0.00 175.35 177.18 2cqa n LEU 81 N 2.05 1.07 0.00 5.43 4.77 -0.71 -4.97 117.00 124.64 2cqa n LEU 81 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2cqa n LEU 81 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2cqa n LEU 81 CO 0.30 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2cqa n GLY 82 N 2.80 2.45 3.57 -0.72 0.00 -0.56 -4.93 105.19 107.79 2cqa n GLY 82 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 2cqa n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cqa s ARG 83 N 0.00 2.04 0.44 1.61 1.70 -1.26 0.93 118.95 124.41 2cqa s ARG 83 Ca 0.00 -1.30 -0.15 0.00 -0.47 0.00 0.00 55.73 53.81 2cqa s ARG 83 Cb 0.00 -2.14 -0.08 0.00 -0.57 0.00 0.00 34.95 32.16 2cqa s ARG 83 CO 0.00 0.43 0.87 -1.54 -1.08 0.00 0.00 175.30 173.98 2cqa s SER 84 N -2.89 6.66 0.33 -2.89 1.04 -1.26 -4.85 113.70 109.84 2cqa s SER 84 Ca 0.25 1.41 -0.28 0.00 0.48 0.00 0.00 55.95 57.81 2cqa s SER 84 Cb -0.08 -2.43 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 2cqa s SER 84 CO 0.15 -0.43 1.18 -0.36 0.98 0.00 0.00 173.24 174.76 2cqa s PHE 85 N -2.38 3.27 -0.04 5.02 0.40 -1.26 -5.04 117.98 117.95 2cqa s PHE 85 Ca 0.56 1.57 -0.02 0.00 -0.60 0.00 0.00 56.93 58.45 2cqa s PHE 85 Cb -0.10 -3.43 0.03 0.00 0.51 0.00 0.00 43.02 40.03 2cqa s PHE 85 CO 0.26 -1.17 0.08 0.95 0.70 0.00 0.00 175.22 176.05 2cqa s THR 86 N -1.23 -0.09 -0.02 0.64 -4.23 -1.26 -5.12 115.64 104.32 2cqa s THR 86 Ca 0.49 0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.98 2cqa s THR 86 Cb -0.34 -0.16 0.07 0.00 1.34 0.00 0.00 72.50 73.41 2cqa s THR 86 CO 0.44 0.11 0.69 0.00 -0.54 0.00 0.00 174.62 175.32 2cqa s ARG 87 N 1.49 1.07 -0.14 3.99 3.03 -1.26 -5.18 118.95 121.95 2cqa s ARG 87 Ca -0.05 0.14 -0.24 0.00 2.03 0.00 0.00 55.73 57.61 2cqa s ARG 87 Cb -0.12 0.50 0.06 0.00 -1.03 0.00 0.00 34.95 34.36 2cqa s ARG 87 CO -0.04 -0.36 0.60 0.00 -1.13 0.00 0.00 175.30 174.37 2cqa s ALA 88 N -1.60 -1.52 0.18 7.88 0.00 -1.26 -5.05 121.76 120.39 2cqa s ALA 88 Ca -0.09 1.42 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 2cqa s ALA 88 Cb -0.00 -0.52 0.07 0.00 0.00 0.00 0.00 23.12 22.67 2cqa s ALA 88 CO 0.06 -0.32 1.64 0.00 0.00 0.00 0.00 175.76 177.14 2cqa h ARG 89 N 4.23 1.07 -3.16 0.00 3.08 -2.09 -3.46 114.38 114.05 2cqa h ARG 89 Ca -0.28 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.37 2cqa h ARG 89 Cb 1.16 -0.10 -0.14 0.00 0.08 0.00 0.00 29.97 30.97 2cqa h ARG 89 CO 0.25 1.05 -0.03 -1.12 -1.07 0.00 0.00 179.97 179.05 2cqa s SER 90 N -6.59 -0.32 0.30 7.04 0.01 -1.26 -5.15 113.70 107.73 2cqa s SER 90 Ca -0.12 -0.13 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 2cqa s SER 90 Cb 0.14 0.48 -0.10 0.00 0.21 0.00 0.00 66.02 66.74 2cqa s SER 90 CO 0.86 -0.80 1.39 -0.83 0.41 0.00 0.00 173.24 174.27 2cqa s GLY 91 N -2.49 2.66 -0.29 3.44 0.00 -1.26 -4.93 107.32 104.45 2cqa s GLY 91 Ca -0.00 1.33 -0.29 0.00 0.00 0.00 0.00 44.72 45.76 2cqa s GLY 91 CO -0.08 2.13 1.66 2.56 0.00 0.00 0.00 173.10 179.37 2cqa s PRO 92 N -1.12 3.57 0.07 2.90 0.04 -1.26 -4.97 135.00 134.23 2cqa s PRO 92 Ca 0.54 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 2cqa s PRO 92 Cb -0.42 -4.10 0.02 0.00 0.04 0.00 0.00 34.50 30.05 2cqa s PRO 92 CO 0.49 -1.57 0.34 -1.54 0.04 0.00 0.00 177.00 174.76 2cqa s SER 93 N 4.95 -0.15 0.02 6.66 1.04 -1.26 -5.18 113.70 119.78 2cqa s SER 93 Ca 0.73 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.93 2cqa s SER 93 Cb -0.22 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 2cqa s SER 93 CO 0.32 -0.69 -0.01 -0.44 0.98 0.00 0.00 173.24 173.40 2cqa s SER 94 N -2.29 0.25 0.00 7.02 0.01 -1.26 -5.26 113.70 112.16 2cqa s SER 94 Ca -0.02 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.71 2cqa s SER 94 Cb 0.00 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2cqa s SER 94 CO -0.06 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.86