#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 5.21 1.15 1.61 0.15 -1.26 -4.96 113.70 115.60 2cqa s SER 2 Ca 0.00 -0.43 -0.17 0.00 0.70 0.00 0.00 55.95 56.05 2cqa s SER 2 Cb 0.00 -2.55 0.22 0.00 -1.71 0.00 0.00 66.02 61.97 2cqa s SER 2 CO 0.00 -2.62 0.43 -1.54 1.20 0.00 0.00 173.24 170.71 2cqa n SER 3 N 13.54 -3.11 -3.03 5.45 3.41 -1.26 -4.75 113.62 123.87 2cqa n SER 3 Ca 0.35 -0.45 -0.33 0.00 -0.26 0.00 0.00 58.87 58.18 2cqa n SER 3 Cb 0.48 -0.88 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 2cqa n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqa n GLY 4 N 2.17 3.99 3.65 5.00 0.00 -1.26 -4.82 105.19 113.93 2cqa n GLY 4 Ca 0.06 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 2cqa n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqa s SER 5 N 2.12 -0.22 -0.30 1.61 1.04 -1.26 -5.17 113.70 111.53 2cqa s SER 5 Ca 0.69 -0.64 -0.13 0.00 0.48 0.00 0.00 55.95 56.36 2cqa s SER 5 Cb 0.21 0.63 0.13 0.00 0.10 0.00 0.00 66.02 67.10 2cqa s SER 5 CO -0.05 -1.18 0.78 -0.55 0.98 0.00 0.00 173.24 173.22 2cqa s SER 6 N -2.93 -0.90 0.00 7.02 0.15 -1.26 -5.09 113.70 110.69 2cqa s SER 6 Ca 0.13 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.07 2cqa s SER 6 Cb -0.03 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 2cqa s SER 6 CO 0.04 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2cqa n GLY 7 N 4.98 -0.09 3.51 9.45 0.00 -1.26 -4.78 105.19 117.00 2cqa n GLY 7 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2cqa n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cqa n LYS 8 N 0.00 0.12 -1.69 1.61 5.02 -1.26 -4.84 118.16 117.12 2cqa n LYS 8 Ca 0.00 -1.40 -0.42 0.00 -2.02 0.00 0.00 58.31 54.47 2cqa n LYS 8 Cb 0.00 -3.53 -0.03 0.00 -0.02 0.00 0.00 35.03 31.45 2cqa n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2cqa s GLU 9 N 8.15 3.04 -0.23 1.97 2.12 -1.26 -4.94 118.70 127.54 2cqa s GLU 9 Ca 0.74 1.80 -0.20 0.00 0.36 0.00 0.00 54.97 57.67 2cqa s GLU 9 Cb -0.06 -4.36 -0.02 0.00 0.26 0.00 0.00 34.13 29.94 2cqa s GLU 9 CO 0.16 -2.21 0.59 -1.83 -0.54 0.00 0.00 175.26 171.43 2cqa s GLU 10 N 6.45 4.15 -0.32 4.30 -1.05 -1.26 -4.94 118.70 126.02 2cqa s GLU 10 Ca 0.95 0.50 0.04 0.00 -0.15 0.00 0.00 54.97 56.31 2cqa s GLU 10 Cb -0.28 -3.61 0.52 0.00 -0.44 0.00 0.00 34.13 30.32 2cqa s GLU 10 CO 0.33 -0.30 1.67 2.41 0.95 0.00 0.00 175.26 180.32 2cqa n THR 11 N 4.92 2.61 -0.18 1.83 -1.04 -1.26 -4.50 114.28 116.66 2cqa n THR 11 Ca -0.02 -1.41 -0.10 0.00 -2.04 0.00 0.00 64.05 60.47 2cqa n THR 11 Cb 0.50 -0.57 0.05 0.00 -1.82 0.00 0.00 70.33 68.49 2cqa n THR 11 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2cqa n GLU 12 N -0.61 1.51 -3.81 -2.82 4.71 -1.26 -4.81 120.64 113.56 2cqa n GLU 12 Ca 0.43 -1.14 -0.12 0.00 -0.01 0.00 0.00 57.16 56.32 2cqa n GLU 12 Cb 1.35 -1.44 -0.12 0.00 -1.01 0.00 0.00 31.44 30.21 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2cqa s ILE 13 N -1.41 0.00 -0.16 -3.67 1.01 -1.26 -0.01 121.20 115.70 2cqa s ILE 13 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.85 2cqa s ILE 13 Cb 0.18 -0.26 0.05 0.00 0.01 0.00 0.00 42.46 42.43 2cqa s ILE 13 CO 0.02 -0.00 -0.01 -0.63 0.00 0.00 0.00 174.94 174.33 2cqa s ILE 14 N 0.08 0.72 -0.07 2.92 1.01 -0.76 -4.98 121.20 120.13 2cqa s ILE 14 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 2cqa s ILE 14 Cb -0.01 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 2cqa s ILE 14 CO 0.00 0.02 0.07 -0.70 0.00 0.00 0.00 174.94 174.33 2cqa s GLU 15 N 1.79 3.14 0.21 2.79 -6.30 -1.26 -2.23 118.70 116.84 2cqa s GLU 15 Ca 0.01 -0.36 -0.22 0.00 -2.50 0.00 0.00 54.97 51.90 2cqa s GLU 15 Cb -0.15 -2.93 0.06 0.00 0.00 0.00 0.00 34.13 31.11 2cqa s GLU 15 CO -0.07 0.71 0.95 0.20 0.02 0.00 0.00 175.26 177.07 2cqa s GLY 16 N -1.22 0.00 -0.26 -1.50 0.00 -1.13 -4.96 107.32 98.25 2cqa s GLY 16 Ca 0.17 -0.21 -0.20 0.00 0.00 0.00 0.00 44.72 44.48 2cqa s GLY 16 CO 0.07 0.89 0.62 1.85 0.00 0.00 0.00 173.10 176.53 2cqa s GLU 17 N -2.73 4.08 -0.36 2.90 2.12 -1.26 -2.66 118.70 120.78 2cqa s GLU 17 Ca 0.16 0.49 -0.33 0.00 0.36 0.00 0.00 54.97 55.65 2cqa s GLU 17 Cb -0.03 -3.66 -0.10 0.00 0.26 0.00 0.00 34.13 30.60 2cqa s GLU 17 CO 0.05 -0.43 2.23 0.28 -0.54 0.00 0.00 175.26 176.86 2cqa n VAL 18 N 5.22 0.19 -0.10 3.70 0.31 0.16 -1.78 118.33 126.03 2cqa n VAL 18 Ca -0.01 -0.32 -0.18 0.00 -0.01 0.00 0.00 64.34 63.82 2cqa n VAL 18 Cb 0.49 -1.84 -0.08 0.00 -0.91 0.00 0.00 33.84 31.50 2cqa n VAL 18 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2cqa n VAL 19 N 7.37 1.50 -3.75 2.52 0.31 0.12 -0.50 118.33 125.90 2cqa n VAL 19 Ca 0.40 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.59 2cqa n VAL 19 Cb 0.28 -2.12 -0.10 0.00 -0.91 0.00 0.00 33.84 30.99 2cqa n VAL 19 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2cqa s GLU 20 N -2.40 0.47 -0.32 5.55 2.12 -1.01 -4.73 118.70 118.37 2cqa s GLU 20 Ca -0.27 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.45 2cqa s GLU 20 Cb 0.06 0.22 0.10 0.00 0.26 0.00 0.00 34.13 34.77 2cqa s GLU 20 CO 0.47 -0.08 0.07 0.42 -0.54 0.00 0.00 175.26 175.60 2cqa s ILE 21 N -0.09 1.63 0.37 -3.70 1.01 -1.26 -0.97 121.20 118.19 2cqa s ILE 21 Ca -0.02 -1.89 -0.07 0.00 0.00 0.00 0.00 60.65 58.66 2cqa s ILE 21 Cb -0.03 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 2cqa s ILE 21 CO 0.01 -0.62 0.68 -1.10 0.00 0.00 0.00 174.94 173.91 2cqa s GLN 22 N 1.24 3.67 -0.10 2.79 -1.52 0.12 -4.94 119.66 120.92 2cqa s GLN 22 Ca 0.10 0.21 -0.01 0.00 -1.95 0.00 0.00 55.36 53.72 2cqa s GLN 22 Cb -0.18 -2.50 0.02 0.00 -0.22 0.00 0.00 33.01 30.14 2cqa s GLN 22 CO -0.16 0.04 -0.06 0.42 -0.25 0.00 0.00 175.29 175.29 2cqa s ILE 23 N -2.32 0.83 -0.53 1.08 -1.09 -1.26 -1.30 121.20 116.62 2cqa s ILE 23 Ca 0.47 -0.18 -0.20 0.00 -2.23 0.00 0.00 60.65 58.52 2cqa s ILE 23 Cb -0.10 -0.89 0.06 0.00 -1.58 0.00 0.00 42.46 39.95 2cqa s ILE 23 CO 0.33 0.33 0.68 -0.62 -1.23 0.00 0.00 174.94 174.43 2cqa s ASP 24 N 1.71 6.23 0.52 3.58 2.15 -1.05 -5.00 116.67 124.81 2cqa s ASP 24 Ca 0.04 -0.91 -0.18 0.00 0.43 0.00 0.00 52.55 51.92 2cqa s ASP 24 Cb -0.13 -2.31 -0.12 0.00 -0.30 0.00 0.00 42.92 40.06 2cqa s ASP 24 CO -0.07 -0.97 0.22 0.54 -0.17 0.00 0.00 175.17 174.72 2cqa n ARG 25 N 6.38 0.26 0.00 4.34 1.74 -1.26 -4.11 116.66 124.01 2cqa n ARG 25 Ca -0.06 0.10 0.06 0.00 -0.77 0.00 0.00 57.85 57.18 2cqa n ARG 25 Cb 0.45 -1.35 0.35 0.00 -1.02 0.00 0.00 32.46 30.90 2cqa n ARG 25 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2cqa n PRO 26 N 0.74 0.48 -0.25 5.56 -0.04 -1.26 -4.02 135.00 136.21 2cqa n PRO 26 Ca 0.10 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.75 2cqa n PRO 26 Cb 0.47 -1.38 0.35 0.00 -0.04 0.00 0.00 33.50 32.89 2cqa n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqa n ALA 27 N -0.88 0.62 -2.46 0.55 0.00 -1.26 -4.03 120.51 113.05 2cqa n ALA 27 Ca 0.09 0.78 -0.43 0.00 0.00 0.00 0.00 53.44 53.88 2cqa n ALA 27 Cb 0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 2cqa n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2cqa s THR 28 N -5.34 4.32 0.19 0.00 2.01 -1.26 -4.93 115.64 110.64 2cqa s THR 28 Ca -0.08 1.61 -0.12 0.00 0.31 0.00 0.00 61.69 63.41 2cqa s THR 28 Cb 0.24 -4.04 0.10 0.00 0.01 0.00 0.00 72.50 68.82 2cqa s THR 28 CO 0.58 -0.11 1.78 1.23 -0.69 0.00 0.00 174.62 177.41 2cqa h GLY 29 N 9.40 0.79 0.00 4.40 0.00 -1.97 -3.23 103.07 112.46 2cqa h GLY 29 Ca -0.27 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2cqa h GLY 29 CO 0.95 0.10 0.00 -1.30 0.00 0.00 0.00 176.54 176.29 2cqa n THR 30 N -4.88 0.00 -3.39 4.70 -2.24 -1.26 -4.42 114.28 102.79 2cqa n THR 30 Ca 0.06 0.92 -0.31 0.00 -2.27 0.00 0.00 64.05 62.44 2cqa n THR 30 Cb 0.16 -1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 67.07 2cqa n THR 30 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2cqa s GLY 31 N -0.56 2.21 0.12 3.38 0.00 -1.22 -4.99 107.32 106.25 2cqa s GLY 31 Ca 0.00 -0.32 0.22 0.00 0.00 0.00 0.00 44.72 44.63 2cqa s GLY 31 CO 0.00 -0.18 0.90 1.44 0.00 0.00 0.00 173.10 175.26 2cqa n SER 32 N -0.29 0.58 -3.65 1.64 7.64 -1.26 -4.69 113.62 113.59 2cqa n SER 32 Ca 0.00 0.15 -0.04 0.00 1.01 0.00 0.00 58.87 60.00 2cqa n SER 32 Cb 0.53 0.91 -0.07 0.00 -1.01 0.00 0.00 64.21 64.57 2cqa n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2cqa s LYS 33 N -3.38 0.24 0.17 1.43 2.20 -1.26 -4.66 119.74 114.48 2cqa s LYS 33 Ca -0.02 0.32 -0.17 0.00 -0.36 0.00 0.00 55.97 55.74 2cqa s LYS 33 Cb 0.12 0.09 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 2cqa s LYS 33 CO 0.82 -0.04 0.49 0.14 -0.36 0.00 0.00 175.35 176.40 2cqa s VAL 34 N 0.50 0.04 -0.01 4.02 -7.23 -1.26 -3.20 120.40 113.26 2cqa s VAL 34 Ca 0.01 -0.63 -0.26 0.00 -1.81 0.00 0.00 61.98 59.29 2cqa s VAL 34 Cb -0.04 -1.37 0.06 0.00 0.56 0.00 0.00 36.38 35.58 2cqa s VAL 34 CO -0.12 -0.17 0.57 -0.83 -0.31 0.00 0.00 175.10 174.24 2cqa s GLY 35 N -2.84 -0.47 -0.24 2.32 0.00 -0.73 -2.52 107.32 102.85 2cqa s GLY 35 Ca 0.06 0.91 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 2cqa s GLY 35 CO -0.07 0.59 -0.04 1.25 0.00 0.00 0.00 173.10 174.84 2cqa s LYS 36 N -1.70 3.19 -0.08 2.90 2.20 -0.42 0.10 119.74 125.93 2cqa s LYS 36 Ca -0.09 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 2cqa s LYS 36 Cb -0.01 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 2cqa s LYS 36 CO 0.05 -0.28 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.52 2cqa s LEU 37 N 1.44 3.16 -0.10 5.43 2.96 -0.59 0.15 118.68 131.12 2cqa s LEU 37 Ca 0.04 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2cqa s LEU 37 Cb -0.15 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.86 2cqa s LEU 37 CO -0.03 0.33 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.30 2cqa s THR 38 N -0.59 1.33 0.15 3.68 2.01 -0.14 0.68 115.64 122.76 2cqa s THR 38 Ca 0.09 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.64 2cqa s THR 38 Cb -0.12 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2cqa s THR 38 CO 0.02 0.41 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.44 2cqa s LEU 39 N 1.06 2.76 -0.62 4.42 1.02 -0.28 0.14 118.68 127.18 2cqa s LEU 39 Ca -0.06 -0.61 -0.22 0.00 0.02 0.00 0.00 54.13 53.27 2cqa s LEU 39 Cb -0.15 -1.54 0.07 0.00 0.02 0.00 0.00 46.19 44.60 2cqa s LEU 39 CO -0.02 0.15 0.87 -0.75 0.02 0.00 0.00 176.35 176.62 2cqa s LYS 40 N -2.45 3.12 0.59 1.70 2.20 -0.73 -1.70 119.74 122.46 2cqa s LYS 40 Ca 0.21 -0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 2cqa s LYS 40 Cb -0.10 -4.21 0.04 0.00 -1.51 0.00 0.00 37.83 32.05 2cqa s LYS 40 CO 0.12 -1.67 0.84 0.95 -0.36 0.00 0.00 175.35 175.22 2cqa s THR 41 N 3.61 2.60 -0.44 3.43 -4.23 0.54 -4.04 115.64 117.11 2cqa s THR 41 Ca 0.20 -0.54 -0.40 0.00 -1.18 0.00 0.00 61.69 59.76 2cqa s THR 41 Cb -0.18 -3.02 -0.17 0.00 1.34 0.00 0.00 72.50 70.47 2cqa s THR 41 CO 0.10 -0.01 1.60 0.41 -0.54 0.00 0.00 174.62 176.18 2cqa n THR 42 N -2.50 0.00 -3.33 3.99 -1.04 -1.26 0.37 114.28 110.51 2cqa n THR 42 Ca 0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.84 2cqa n THR 42 Cb 0.60 -0.44 -0.05 0.00 -1.82 0.00 0.00 70.33 68.62 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 4.75 -0.85 -3.51 -2.82 1.02 -1.26 -4.78 120.64 113.19 2cqa n GLU 43 Ca 0.36 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.49 2cqa n GLU 43 Cb -0.05 -2.70 -0.02 0.00 -0.02 0.00 0.00 31.44 28.65 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 -4.80 0.78 -0.18 3.49 0.23 0.16 -5.15 119.30 113.83 2cqa s MET 44 Ca 0.44 -0.24 0.01 0.00 -1.03 0.00 0.00 55.69 54.87 2cqa s MET 44 Cb -0.25 0.36 0.03 0.00 -1.53 0.00 0.00 34.83 33.44 2cqa s MET 44 CO 0.61 -0.33 -0.13 -2.00 -2.03 0.00 0.00 175.02 171.13 2cqa s GLU 45 N -2.85 2.24 0.09 3.16 2.12 -1.26 0.20 118.70 122.40 2cqa s GLU 45 Ca 0.04 -0.75 0.03 0.00 0.36 0.00 0.00 54.97 54.65 2cqa s GLU 45 Cb -0.01 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 2cqa s GLU 45 CO -0.07 -0.34 0.09 0.99 -0.54 0.00 0.00 175.26 175.39 2cqa s THR 46 N 1.41 4.53 -0.22 -1.70 2.01 -0.69 -4.92 115.64 116.05 2cqa s THR 46 Ca 0.02 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 2cqa s THR 46 Cb -0.15 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.19 2cqa s THR 46 CO -0.10 0.10 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.20 2cqa s ILE 47 N -1.43 2.67 -0.02 1.82 1.01 -1.26 -1.12 121.20 122.85 2cqa s ILE 47 Ca 0.29 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 2cqa s ILE 47 Cb -0.12 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 2cqa s ILE 47 CO 0.22 0.32 0.27 -0.31 0.00 0.00 0.00 174.94 175.44 2cqa s TYR 48 N 1.32 3.62 -0.08 3.97 2.02 0.21 -4.96 117.35 123.46 2cqa s TYR 48 Ca 0.02 0.67 -0.25 0.00 -0.37 0.00 0.00 57.07 57.13 2cqa s TYR 48 Cb -0.15 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 2cqa s TYR 48 CO -0.07 0.65 0.80 -0.51 -1.57 0.00 0.00 175.55 174.85 2cqa s ASP 49 N -1.38 7.07 -0.29 2.29 1.11 -1.26 -1.54 116.67 122.66 2cqa s ASP 49 Ca 0.24 1.30 -0.12 0.00 0.18 0.00 0.00 52.55 54.14 2cqa s ASP 49 Cb -0.14 -2.46 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 2cqa s ASP 49 CO 0.12 -0.22 0.24 -0.76 1.18 0.00 0.00 175.17 175.73 2cqa s LEU 50 N 1.19 4.12 0.60 1.23 1.43 0.12 -4.94 118.68 122.43 2cqa s LEU 50 Ca 0.41 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2cqa s LEU 50 Cb -0.18 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 43.89 2cqa s LEU 50 CO 0.19 -0.12 0.87 -0.83 0.23 0.00 0.00 176.35 176.69 2cqa s GLY 51 N 1.73 1.72 0.62 -3.19 0.00 -1.26 -1.77 107.32 105.17 2cqa s GLY 51 Ca 0.08 -1.06 0.26 0.00 0.00 0.00 0.00 44.72 44.00 2cqa s GLY 51 CO 0.11 -0.74 1.77 -0.84 0.00 0.00 0.00 173.10 173.40 2cqa h THR 52 N -0.19 0.00 0.05 0.90 2.02 -1.95 0.21 112.91 113.95 2cqa h THR 52 Ca -0.44 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.39 2cqa h THR 52 Cb 1.29 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 2cqa h THR 52 CO 0.57 0.00 -2.07 1.17 0.37 0.00 0.00 175.52 175.55 2cqa n LYS 53 N -2.74 0.69 -0.13 6.66 4.81 -1.26 -3.73 118.16 122.46 2cqa n LYS 53 Ca -0.02 0.21 -0.09 0.00 -0.87 0.00 0.00 58.31 57.54 2cqa n LYS 53 Cb 0.41 -1.67 -0.01 0.00 0.02 0.00 0.00 35.03 33.78 2cqa n LYS 53 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2cqa h MET 54 N 0.03 0.60 -0.22 1.64 2.86 -0.86 -3.09 114.93 115.89 2cqa h MET 54 Ca -0.44 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.07 2cqa h MET 54 Cb 2.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.60 2cqa h MET 54 CO 0.04 0.60 0.10 0.82 1.06 0.00 0.00 176.91 179.54 2cqa h ILE 55 N 0.48 1.14 -0.19 -1.22 2.04 -1.49 -2.09 117.51 116.19 2cqa h ILE 55 Ca 0.13 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.64 2cqa h ILE 55 Cb 0.25 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2cqa h ILE 55 CO -0.00 0.14 0.68 -0.33 0.00 0.00 0.00 178.15 178.63 2cqa h GLU 56 N 0.22 0.00 0.07 2.37 4.39 -1.62 0.70 114.58 120.71 2cqa h GLU 56 Ca 0.07 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.43 2cqa h GLU 56 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2cqa h GLU 56 CO -0.01 0.00 -1.97 0.43 -1.16 0.00 0.00 179.01 176.30 2cqa n SER 57 N -2.93 1.60 0.05 1.42 7.64 -0.81 -3.74 113.62 116.85 2cqa n SER 57 Ca 0.03 0.23 0.08 0.00 1.01 0.00 0.00 58.87 60.22 2cqa n SER 57 Cb 0.76 -0.47 0.34 0.00 -1.01 0.00 0.00 64.21 63.83 2cqa n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2cqa n LEU 58 N -3.28 0.22 -0.03 -3.43 4.77 0.24 -2.52 117.00 112.96 2cqa n LEU 58 Ca -0.28 0.56 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 2cqa n LEU 58 Cb 1.05 -0.54 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 2cqa n LEU 58 CO 0.42 -0.40 -0.72 0.35 -1.33 0.00 0.00 177.39 175.70 2cqa n THR 59 N -1.75 1.70 -0.03 -5.08 -2.24 -0.73 -1.61 114.28 104.55 2cqa n THR 59 Ca 0.02 -0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 61.35 2cqa n THR 59 Cb 0.16 -1.84 0.28 0.00 -2.10 0.00 0.00 70.33 66.83 2cqa n THR 59 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2cqa h LYS 60 N -0.29 0.60 -0.42 -0.78 2.10 -1.59 -2.26 116.57 113.92 2cqa h LYS 60 Ca -0.40 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 2cqa h LYS 60 Cb 1.79 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.03 2cqa h LYS 60 CO -0.02 0.59 0.00 -0.25 -2.00 0.00 0.00 179.45 177.78 2cqa n ASP 61 N -4.29 3.39 -4.16 7.07 8.00 -1.05 -4.97 116.55 120.55 2cqa n ASP 61 Ca 0.02 -1.96 -0.30 0.00 0.71 0.00 0.00 54.79 53.26 2cqa n ASP 61 Cb 0.23 -0.28 -0.09 0.00 -0.02 0.00 0.00 41.12 40.97 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2cqa n LYS 62 N 1.35 -0.90 -1.67 -1.24 4.76 -0.85 -4.74 118.16 114.86 2cqa n LYS 62 Ca 0.18 0.09 -0.47 0.00 -2.87 0.00 0.00 58.31 55.25 2cqa n LYS 62 Cb 0.57 -3.44 -0.04 0.00 -1.84 0.00 0.00 35.03 30.27 2cqa n LYS 62 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2cqa n VAL 63 N -4.13 0.29 -4.59 -0.18 0.31 -0.63 -4.98 118.33 104.43 2cqa n VAL 63 Ca -0.21 -0.05 -0.27 0.00 -0.01 0.00 0.00 64.34 63.80 2cqa n VAL 63 Cb 0.58 -1.72 -0.11 0.00 -0.91 0.00 0.00 33.84 31.69 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 2.48 1.90 0.96 5.55 -0.21 -1.26 -4.99 119.66 124.09 2cqa s GLN 64 Ca 0.86 -2.07 -0.11 0.00 0.02 0.00 0.00 55.36 54.05 2cqa s GLN 64 Cb -0.68 -1.50 0.17 0.00 1.00 0.00 0.00 33.01 32.00 2cqa s GLN 64 CO 0.44 -0.07 1.10 0.00 -2.12 0.00 0.00 175.29 174.64 2cqa s ALA 65 N -2.81 1.09 0.00 6.09 0.00 -1.26 -3.21 121.76 121.66 2cqa s ALA 65 Ca 0.35 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2cqa s ALA 65 Cb 0.10 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2cqa s ALA 65 CO 0.18 -2.83 0.00 0.41 0.00 0.00 0.00 175.76 173.51 2cqa n GLY 66 N -0.09 2.79 3.93 0.00 0.00 0.34 -4.98 105.19 107.18 2cqa n GLY 66 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.33 4.48 -0.21 1.61 1.01 -1.20 -4.75 116.67 117.29 2cqa s ASP 67 Ca 0.00 0.41 -0.01 0.00 0.71 0.00 0.00 52.55 53.65 2cqa s ASP 67 Cb 0.00 -0.92 0.01 0.00 1.01 0.00 0.00 42.92 43.02 2cqa s ASP 67 CO 0.00 -1.83 -0.11 -0.69 0.21 0.00 0.00 175.17 172.75 2cqa s VAL 68 N -3.38 2.73 0.23 -1.27 1.01 -1.26 0.38 120.40 118.83 2cqa s VAL 68 Ca 0.63 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.90 2cqa s VAL 68 Cb -0.09 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2cqa s VAL 68 CO 0.46 0.41 -0.17 0.27 0.00 0.00 0.00 175.10 176.08 2cqa s ILE 69 N 1.36 2.03 0.28 2.22 -4.36 -1.09 -1.79 121.20 119.85 2cqa s ILE 69 Ca 0.04 -2.25 0.10 0.00 -0.26 0.00 0.00 60.65 58.29 2cqa s ILE 69 Cb -0.14 -2.12 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 2cqa s ILE 69 CO -0.07 -0.48 -0.08 0.42 0.24 0.00 0.00 174.94 174.97 2cqa s THR 70 N -2.67 3.03 -0.18 8.37 -4.23 0.56 -2.83 115.64 117.69 2cqa s THR 70 Ca 0.24 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.62 2cqa s THR 70 Cb -0.03 -2.64 0.06 0.00 1.34 0.00 0.00 72.50 71.23 2cqa s THR 70 CO 0.10 -0.37 0.04 -0.63 -0.54 0.00 0.00 174.62 173.22 2cqa s ILE 71 N -2.41 0.43 -0.52 2.99 1.01 -0.95 -2.75 121.20 119.00 2cqa s ILE 71 Ca 0.31 -0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 2cqa s ILE 71 Cb -0.05 -0.93 0.05 0.00 0.01 0.00 0.00 42.46 41.54 2cqa s ILE 71 CO 0.18 -0.18 0.71 -0.62 0.00 0.00 0.00 174.94 175.03 2cqa s ASP 72 N 1.91 6.25 0.43 3.58 -1.08 -0.12 -1.83 116.67 125.82 2cqa s ASP 72 Ca -0.00 -0.78 0.17 0.00 -0.52 0.00 0.00 52.55 51.42 2cqa s ASP 72 Cb -0.17 -2.33 0.99 0.00 -1.46 0.00 0.00 42.92 39.95 2cqa s ASP 72 CO -0.08 -0.99 1.94 0.11 0.52 0.00 0.00 175.17 176.67 2cqa h LYS 73 N 9.09 0.00 0.59 4.34 1.57 -0.74 1.88 116.57 133.30 2cqa h LYS 73 Ca -0.27 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 2cqa h LYS 73 Cb 1.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.40 2cqa h LYS 73 CO 1.00 0.25 -0.28 0.00 -0.57 0.00 0.00 179.45 179.85 2cqa h ALA 74 N 1.75 -0.79 0.00 3.86 0.00 -1.90 -3.27 119.26 118.91 2cqa h ALA 74 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2cqa h ALA 74 Cb 0.48 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2cqa h ALA 74 CO 0.03 -0.78 -0.47 0.25 0.00 0.00 0.00 179.25 178.28 2cqa n THR 75 N -5.32 0.13 -2.51 0.00 -2.24 -1.20 -4.95 114.28 98.21 2cqa n THR 75 Ca -0.11 -0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 2cqa n THR 75 Cb 0.34 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2cqa n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqa n GLY 76 N 1.44 -0.38 3.49 3.38 0.00 0.64 -5.00 105.19 108.77 2cqa n GLY 76 Ca 0.05 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.09 1.77 -0.03 1.61 -0.14 -1.05 -4.54 119.74 112.29 2cqa s LYS 77 Ca 0.07 -1.57 0.07 0.00 -1.36 0.00 0.00 55.97 53.19 2cqa s LYS 77 Cb -0.03 -1.91 -0.02 0.00 -1.68 0.00 0.00 37.83 34.19 2cqa s LYS 77 CO 0.09 0.37 -0.25 0.42 -0.76 0.00 0.00 175.35 175.22 2cqa s ILE 78 N -2.10 1.99 0.08 2.17 1.01 -1.26 -0.95 121.20 122.15 2cqa s ILE 78 Ca 0.26 -1.07 0.04 0.00 0.00 0.00 0.00 60.65 59.89 2cqa s ILE 78 Cb -0.07 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2cqa s ILE 78 CO 0.14 0.56 -0.12 -0.44 0.00 0.00 0.00 174.94 175.08 2cqa s SER 79 N -0.52 1.51 -0.03 3.58 0.01 -1.11 -4.95 113.70 112.19 2cqa s SER 79 Ca 0.08 -0.68 -0.07 0.00 1.31 0.00 0.00 55.95 56.59 2cqa s SER 79 Cb -0.10 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 2cqa s SER 79 CO -0.00 -0.16 0.24 -0.54 0.41 0.00 0.00 173.24 173.19 2cqa s LYS 80 N -2.10 3.56 0.08 12.44 1.02 -1.26 -0.32 119.74 133.15 2cqa s LYS 80 Ca -0.00 -0.07 0.06 0.00 0.02 0.00 0.00 55.97 55.98 2cqa s LYS 80 Cb -0.07 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 2cqa s LYS 80 CO 0.01 0.69 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.45 2cqa s LEU 81 N -1.51 2.27 0.25 3.17 1.02 -0.74 -4.97 118.68 118.16 2cqa s LEU 81 Ca 0.24 -0.62 -0.11 0.00 0.02 0.00 0.00 54.13 53.65 2cqa s LEU 81 Cb -0.13 -0.70 0.35 0.00 0.02 0.00 0.00 46.19 45.74 2cqa s LEU 81 CO 0.13 0.00 1.59 1.23 0.02 0.00 0.00 176.35 179.32 2cqa h GLY 82 N 4.30 0.57 -2.28 -3.19 0.00 -2.00 -3.39 103.07 97.09 2cqa h GLY 82 Ca -0.43 0.29 0.24 0.00 0.00 0.00 0.00 47.33 47.43 2cqa h GLY 82 CO 0.40 -0.31 0.66 1.09 0.00 0.00 0.00 176.54 178.38 2cqa s ARG 83 N -6.23 0.89 0.09 4.80 1.04 -1.26 -4.78 118.95 113.49 2cqa s ARG 83 Ca -0.15 -0.52 -0.28 0.00 -1.04 0.00 0.00 55.73 53.75 2cqa s ARG 83 Cb 0.23 0.28 -0.06 0.00 -2.04 0.00 0.00 34.95 33.37 2cqa s ARG 83 CO 0.76 -0.41 0.86 -1.54 -0.04 0.00 0.00 175.30 174.93 2cqa s SER 84 N -3.12 7.38 -0.08 -2.89 1.04 -1.26 -5.02 113.70 109.74 2cqa s SER 84 Ca 0.16 1.64 0.01 0.00 0.48 0.00 0.00 55.95 58.25 2cqa s SER 84 Cb 0.01 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 2cqa s SER 84 CO 0.01 -0.00 -0.11 0.12 0.98 0.00 0.00 173.24 174.23 2cqa s PHE 85 N -0.16 2.81 0.11 5.02 5.36 -1.26 -5.12 117.98 124.74 2cqa s PHE 85 Ca 0.42 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 2cqa s PHE 85 Cb -0.22 -1.72 -0.04 0.00 -0.34 0.00 0.00 43.02 40.69 2cqa s PHE 85 CO 0.27 0.13 -0.02 -0.08 -1.46 0.00 0.00 175.22 174.05 2cqa s THR 86 N -0.44 0.48 0.22 0.12 -1.32 -1.26 -5.17 115.64 108.26 2cqa s THR 86 Ca 0.06 -1.91 0.10 0.00 -1.21 0.00 0.00 61.69 58.72 2cqa s THR 86 Cb -0.12 -1.81 -0.04 0.00 -1.51 0.00 0.00 72.50 69.02 2cqa s THR 86 CO 0.02 -0.74 -0.09 -0.60 -2.21 0.00 0.00 174.62 171.00 2cqa s ARG 87 N -3.91 2.04 0.03 7.08 6.06 -1.26 -5.11 118.95 123.88 2cqa s ARG 87 Ca 0.16 -1.40 -0.28 0.00 -2.50 0.00 0.00 55.73 51.70 2cqa s ARG 87 Cb 0.06 -2.08 -0.04 0.00 0.06 0.00 0.00 34.95 32.95 2cqa s ARG 87 CO -0.03 0.40 0.90 0.00 -2.50 0.00 0.00 175.30 174.07 2cqa s ALA 88 N -2.00 3.24 -0.43 6.12 0.00 -1.26 -5.02 121.76 122.41 2cqa s ALA 88 Ca 0.27 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.71 2cqa s ALA 88 Cb -0.07 -3.22 0.13 0.00 0.00 0.00 0.00 23.12 19.96 2cqa s ALA 88 CO 0.16 -0.10 0.23 0.50 0.00 0.00 0.00 175.76 176.55 2cqa s ARG 89 N 0.50 1.26 0.09 0.00 3.52 -1.26 -5.10 118.95 117.96 2cqa s ARG 89 Ca 0.46 -1.97 -0.35 0.00 -0.13 0.00 0.00 55.73 53.74 2cqa s ARG 89 Cb -0.21 -2.32 -0.19 0.00 -1.56 0.00 0.00 34.95 30.67 2cqa s ARG 89 CO 0.26 -1.16 0.85 0.43 -0.81 0.00 0.00 175.30 174.88 2cqa n SER 90 N 3.59 -0.48 -4.43 -2.12 7.64 -1.26 -4.75 113.62 111.81 2cqa n SER 90 Ca 0.08 1.15 -0.45 0.00 1.01 0.00 0.00 58.87 60.66 2cqa n SER 90 Cb 0.35 -0.94 -0.01 0.00 -1.01 0.00 0.00 64.21 62.59 2cqa n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqa n GLY 91 N 1.72 -1.55 3.56 0.23 0.00 -1.26 -4.75 105.19 103.14 2cqa n GLY 91 Ca 0.19 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 2cqa n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqa s PRO 92 N -1.26 2.55 0.95 1.61 0.04 -1.26 -4.96 135.00 132.67 2cqa s PRO 92 Ca 0.62 -0.41 -0.11 0.00 0.04 0.00 0.00 61.00 61.14 2cqa s PRO 92 Cb -0.75 -5.09 0.15 0.00 0.04 0.00 0.00 34.50 28.85 2cqa s PRO 92 CO 0.58 -3.47 1.06 0.43 0.04 0.00 0.00 177.00 175.65 2cqa n SER 93 N 14.04 -0.11 -4.55 6.66 7.64 -1.26 -4.73 113.62 131.31 2cqa n SER 93 Ca 0.41 0.35 -0.19 0.00 1.01 0.00 0.00 58.87 60.45 2cqa n SER 93 Cb 0.47 -1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.14 2cqa n SER 93 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cqa n SER 94 N -4.05 1.21 -0.24 6.43 7.64 -1.26 -5.29 113.62 118.05 2cqa n SER 94 Ca 0.10 -1.12 0.15 0.00 1.01 0.00 0.00 58.87 59.01 2cqa n SER 94 Cb 0.52 -1.42 0.74 0.00 -1.01 0.00 0.00 64.21 63.05 2cqa n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64