#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 5.63 0.65 1.61 1.04 -1.26 -4.98 113.70 116.39 2cqa s SER 2 Ca 0.00 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2cqa s SER 2 Cb 0.00 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.68 2cqa s SER 2 CO 0.00 -2.00 0.90 -0.55 0.98 0.00 0.00 173.24 172.58 2cqa s SER 3 N 6.92 4.74 0.00 7.02 0.15 -1.26 -5.12 113.70 126.15 2cqa s SER 3 Ca 0.74 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2cqa s SER 3 Cb -0.17 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2cqa s SER 3 CO 0.28 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.77 2cqa n GLY 4 N -2.62 5.41 3.29 9.45 0.00 -1.26 -5.19 105.19 114.27 2cqa n GLY 4 Ca 0.12 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 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 1.00 1.21 0.03 1.61 1.04 -1.26 -5.17 113.70 112.16 2cqa s SER 5 Ca 0.00 -1.32 -0.28 0.00 0.48 0.00 0.00 55.95 54.83 2cqa s SER 5 Cb 0.00 0.15 0.10 0.00 0.10 0.00 0.00 66.02 66.37 2cqa s SER 5 CO 0.00 -0.68 1.21 -0.94 0.98 0.00 0.00 173.24 173.81 2cqa s SER 6 N -3.27 -0.07 0.00 7.02 1.04 -1.26 -5.19 113.70 111.98 2cqa s SER 6 Ca 0.34 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2cqa s SER 6 Cb 0.07 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2cqa s SER 6 CO 0.11 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2cqa n GLY 7 N -0.56 2.40 0.04 7.32 0.00 -1.26 -5.07 105.19 108.06 2cqa n GLY 7 Ca -0.06 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 43.93 2cqa n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cqa n LYS 8 N 0.00 1.79 -4.74 1.61 0.00 -1.26 -5.00 118.16 110.56 2cqa n LYS 8 Ca 0.00 0.02 -0.26 0.00 -0.00 0.00 0.00 58.31 58.07 2cqa n LYS 8 Cb 0.00 -1.19 -0.16 0.00 -0.00 0.00 0.00 35.03 33.68 2cqa n LYS 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2cqa s GLU 9 N -2.18 1.90 -0.23 -1.58 2.02 -1.26 -5.12 118.70 112.24 2cqa s GLU 9 Ca -0.07 -0.53 -0.27 0.00 0.02 0.00 0.00 54.97 54.12 2cqa s GLU 9 Cb 0.03 -1.56 0.13 0.00 0.10 0.00 0.00 34.13 32.83 2cqa s GLU 9 CO 0.27 0.11 1.05 -1.83 0.02 0.00 0.00 175.26 174.88 2cqa s GLU 10 N 0.44 0.50 -0.32 1.61 -1.05 -1.26 -5.14 118.70 113.49 2cqa s GLU 10 Ca -0.12 0.36 -0.07 0.00 -0.15 0.00 0.00 54.97 54.99 2cqa s GLU 10 Cb -0.15 0.24 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 2cqa s GLU 10 CO 0.04 -0.11 0.09 0.99 0.95 0.00 0.00 175.26 177.23 2cqa s THR 11 N -0.38 3.91 -0.22 1.83 2.01 -1.26 -4.97 115.64 116.57 2cqa s THR 11 Ca 0.01 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.14 2cqa s THR 11 Cb -0.03 -3.10 0.22 0.00 0.01 0.00 0.00 72.50 69.60 2cqa s THR 11 CO -0.04 -0.04 1.68 -1.84 -0.69 0.00 0.00 174.62 173.70 2cqa n GLU 12 N 4.85 1.57 -3.84 4.92 0.28 -1.26 -4.83 120.64 122.34 2cqa n GLU 12 Ca -0.14 -1.23 -0.12 0.00 -0.16 0.00 0.00 57.16 55.52 2cqa n GLU 12 Cb 0.47 -1.48 -0.11 0.00 1.43 0.00 0.00 31.44 31.74 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2cqa s ILE 13 N -1.58 0.04 -0.03 3.84 1.01 -1.26 -0.68 121.20 122.55 2cqa s ILE 13 Ca 0.24 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.58 2cqa s ILE 13 Cb 0.19 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 42.33 2cqa s ILE 13 CO 0.02 -0.17 -0.04 -0.63 0.00 0.00 0.00 174.94 174.12 2cqa s ILE 14 N -0.60 0.41 -0.18 2.92 1.01 -1.06 -4.97 121.20 118.74 2cqa s ILE 14 Ca -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2cqa s ILE 14 Cb -0.04 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 42.02 2cqa s ILE 14 CO 0.01 0.17 -0.20 -0.70 0.00 0.00 0.00 174.94 174.23 2cqa s GLU 15 N 0.65 3.01 0.19 2.79 2.12 -1.26 -1.39 118.70 124.81 2cqa s GLU 15 Ca -0.08 -0.83 -0.06 0.00 0.36 0.00 0.00 54.97 54.37 2cqa s GLU 15 Cb -0.11 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 2cqa s GLU 15 CO -0.00 -0.18 0.24 0.20 -0.54 0.00 0.00 175.26 174.97 2cqa s GLY 16 N 1.23 0.91 -0.53 -1.50 0.00 -1.21 -4.84 107.32 101.37 2cqa s GLY 16 Ca 0.03 -1.26 -0.25 0.00 0.00 0.00 0.00 44.72 43.25 2cqa s GLY 16 CO -0.11 -1.06 0.97 1.85 0.00 0.00 0.00 173.10 174.74 2cqa s GLU 17 N -4.06 3.40 -0.47 2.90 2.12 -1.24 -2.98 118.70 118.37 2cqa s GLU 17 Ca 0.27 -0.10 -0.44 0.00 0.36 0.00 0.00 54.97 55.06 2cqa s GLU 17 Cb 0.04 -4.02 -0.19 0.00 0.26 0.00 0.00 34.13 30.23 2cqa s GLU 17 CO 0.07 -1.44 1.91 0.28 -0.54 0.00 0.00 175.26 175.53 2cqa n VAL 18 N 6.31 0.04 -0.12 3.70 0.31 0.11 -2.88 118.33 125.79 2cqa n VAL 18 Ca 0.04 -0.02 -0.24 0.00 -0.01 0.00 0.00 64.34 64.11 2cqa n VAL 18 Cb 0.48 -0.64 -0.08 0.00 -0.91 0.00 0.00 33.84 32.69 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 5.44 1.49 -3.83 2.52 0.31 0.85 -0.36 118.33 124.76 2cqa n VAL 19 Ca 0.43 -0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.40 2cqa n VAL 19 Cb -0.02 -1.99 -0.13 0.00 -0.91 0.00 0.00 33.84 30.79 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 -2.60 0.14 -0.36 5.55 2.12 -1.16 -4.70 118.70 117.69 2cqa s GLU 20 Ca -0.35 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.18 2cqa s GLU 20 Cb 0.12 0.06 0.11 0.00 0.26 0.00 0.00 34.13 34.67 2cqa s GLU 20 CO 0.46 -0.02 0.12 0.42 -0.54 0.00 0.00 175.26 175.70 2cqa s ILE 21 N 0.11 1.62 0.03 -3.70 1.01 -1.26 -0.88 121.20 118.14 2cqa s ILE 21 Ca -0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 60.65 58.53 2cqa s ILE 21 Cb -0.01 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2cqa s ILE 21 CO -0.00 -0.70 0.19 -1.10 0.00 0.00 0.00 174.94 173.33 2cqa s GLN 22 N 0.97 3.41 -0.05 2.79 -1.52 0.96 -4.99 119.66 121.23 2cqa s GLN 22 Ca 0.12 -0.40 -0.00 0.00 -1.95 0.00 0.00 55.36 53.12 2cqa s GLN 22 Cb -0.20 -3.05 0.03 0.00 -0.22 0.00 0.00 33.01 29.57 2cqa s GLN 22 CO -0.12 0.64 -0.00 0.42 -0.25 0.00 0.00 175.29 175.97 2cqa s ILE 23 N -1.42 0.30 -0.35 1.08 -1.09 -1.26 -0.32 121.20 118.13 2cqa s ILE 23 Ca 0.31 0.09 -0.22 0.00 -2.23 0.00 0.00 60.65 58.60 2cqa s ILE 23 Cb -0.13 -0.42 0.00 0.00 -1.58 0.00 0.00 42.46 40.34 2cqa s ILE 23 CO 0.24 0.21 0.73 -1.81 -1.23 0.00 0.00 174.94 173.07 2cqa s ASP 24 N 1.48 6.52 0.47 3.58 1.01 -0.95 -5.00 116.67 123.77 2cqa s ASP 24 Ca -0.03 0.33 -0.11 0.00 0.71 0.00 0.00 52.55 53.45 2cqa s ASP 24 Cb -0.13 -2.37 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 2cqa s ASP 24 CO -0.03 -0.66 0.85 -0.13 0.21 0.00 0.00 175.17 175.42 2cqa s ARG 25 N 2.92 3.73 1.00 8.23 3.00 -1.26 -4.24 118.95 132.35 2cqa s ARG 25 Ca 0.29 0.54 -0.12 0.00 0.00 0.00 0.00 55.73 56.44 2cqa s ARG 25 Cb -0.14 -2.30 0.19 0.00 0.00 0.00 0.00 34.95 32.71 2cqa s ARG 25 CO 0.15 -0.19 1.09 -1.25 0.00 0.00 0.00 175.30 175.10 2cqa s PRO 26 N -4.27 0.38 -0.22 3.54 0.04 -1.26 -5.08 135.00 128.13 2cqa s PRO 26 Ca 0.52 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.00 2cqa s PRO 26 Cb -0.10 -1.73 0.10 0.00 0.04 0.00 0.00 34.50 32.80 2cqa s PRO 26 CO 0.37 -2.76 0.45 0.00 0.04 0.00 0.00 177.00 175.10 2cqa s ALA 27 N -2.97 -1.28 -1.79 8.56 0.00 -1.26 -4.92 121.76 118.10 2cqa s ALA 27 Ca 0.65 1.58 -0.20 0.00 0.00 0.00 0.00 51.96 53.99 2cqa s ALA 27 Cb -0.19 -1.42 0.19 0.00 0.00 0.00 0.00 23.12 21.71 2cqa s ALA 27 CO 0.58 -0.82 0.66 0.25 0.00 0.00 0.00 175.76 176.42 2cqa n THR 28 N 5.40 -0.53 0.00 0.00 -2.24 -1.26 -4.79 114.28 110.86 2cqa n THR 28 Ca -0.08 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2cqa n THR 28 Cb 0.49 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 2cqa n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqa n GLY 29 N -1.27 3.28 3.27 3.38 0.00 -1.26 -5.17 105.19 107.42 2cqa n GLY 29 Ca 0.08 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 1.65 0.00 2.61 2.01 -1.26 -4.78 115.64 113.87 2cqa s THR 30 Ca 0.00 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.48 2cqa s THR 30 Cb 0.00 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 71.00 2cqa s THR 30 CO 0.00 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 2cqa n GLY 31 N 1.10 0.40 2.94 4.40 0.00 -1.26 -5.10 105.19 107.67 2cqa n GLY 31 Ca -0.20 0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2cqa n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqa s SER 32 N 1.88 4.55 0.24 1.61 0.01 -1.26 -5.10 113.70 115.63 2cqa s SER 32 Ca 0.00 -2.07 -0.28 0.00 1.31 0.00 0.00 55.95 54.91 2cqa s SER 32 Cb 0.00 -1.43 -0.16 0.00 0.21 0.00 0.00 66.02 64.65 2cqa s SER 32 CO 0.00 -0.38 0.69 0.29 0.41 0.00 0.00 173.24 174.25 2cqa n LYS 33 N 4.34 0.52 -4.16 12.44 5.02 -1.26 -4.93 118.16 130.14 2cqa n LYS 33 Ca 0.03 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.37 2cqa n LYS 33 Cb 0.41 -1.33 -0.11 0.00 -0.02 0.00 0.00 35.03 33.99 2cqa n LYS 33 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2cqa s VAL 34 N -1.05 0.81 0.13 -0.18 -7.23 -1.15 -3.35 120.40 108.38 2cqa s VAL 34 Ca 0.62 -1.62 -0.16 0.00 -1.81 0.00 0.00 61.98 59.00 2cqa s VAL 34 Cb -0.83 -1.32 0.03 0.00 0.56 0.00 0.00 36.38 34.83 2cqa s VAL 34 CO 0.58 -0.61 0.41 -0.83 -0.31 0.00 0.00 175.10 174.34 2cqa s GLY 35 N -2.46 -0.24 -0.08 2.32 0.00 -0.94 -2.25 107.32 103.68 2cqa s GLY 35 Ca 0.05 -0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.72 2cqa s GLY 35 CO -0.01 -0.31 -0.17 0.54 0.00 0.00 0.00 173.10 173.15 2cqa s LYS 36 N -3.81 2.20 -0.01 2.90 1.02 0.56 -0.46 119.74 122.14 2cqa s LYS 36 Ca 0.04 -0.59 0.05 0.00 0.02 0.00 0.00 55.97 55.49 2cqa s LYS 36 Cb 0.02 -1.74 -0.01 0.00 -0.52 0.00 0.00 37.83 35.57 2cqa s LYS 36 CO -0.11 0.09 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.08 2cqa s LEU 37 N 0.52 2.05 -0.11 3.17 2.96 -1.13 -0.03 118.68 126.11 2cqa s LEU 37 Ca -0.16 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2cqa s LEU 37 Cb -0.16 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.67 2cqa s LEU 37 CO 0.06 0.19 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.17 2cqa s THR 38 N -0.45 1.96 -0.03 3.68 2.01 -0.06 -0.47 115.64 122.29 2cqa s THR 38 Ca 0.06 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.16 2cqa s THR 38 Cb -0.07 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 2cqa s THR 38 CO -0.00 0.53 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.55 2cqa s LEU 39 N 0.51 1.95 -0.65 4.42 1.02 -0.82 -0.10 118.68 125.00 2cqa s LEU 39 Ca -0.15 -0.29 -0.21 0.00 0.02 0.00 0.00 54.13 53.49 2cqa s LEU 39 Cb -0.17 -0.83 0.08 0.00 0.02 0.00 0.00 46.19 45.29 2cqa s LEU 39 CO 0.05 0.16 0.89 -0.75 0.02 0.00 0.00 176.35 176.72 2cqa s LYS 40 N -0.12 3.10 -0.02 1.70 2.20 -1.14 -1.20 119.74 124.26 2cqa s LYS 40 Ca 0.01 -1.02 0.04 0.00 -0.36 0.00 0.00 55.97 54.64 2cqa s LYS 40 Cb -0.09 -4.26 -0.01 0.00 -1.51 0.00 0.00 37.83 31.97 2cqa s LYS 40 CO 0.01 -1.73 -0.15 0.95 -0.36 0.00 0.00 175.35 174.07 2cqa s THR 41 N 3.58 1.19 -1.10 3.43 -4.23 0.38 -3.59 115.64 115.30 2cqa s THR 41 Ca 0.19 -0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 60.04 2cqa s THR 41 Cb -0.19 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 2cqa s THR 41 CO 0.08 0.34 0.94 0.41 -0.54 0.00 0.00 174.62 175.85 2cqa n THR 42 N 2.82 -7.49 -1.86 3.99 -1.04 -1.26 -1.88 114.28 107.57 2cqa n THR 42 Ca -0.15 -0.92 -0.09 0.00 -2.04 0.00 0.00 64.05 60.86 2cqa n THR 42 Cb 0.54 -5.72 -0.02 0.00 -1.82 0.00 0.00 70.33 63.31 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 -3.63 -1.83 -3.69 -2.82 4.71 -1.26 -4.87 120.64 107.26 2cqa n GLU 43 Ca -0.18 0.46 -0.15 0.00 -0.01 0.00 0.00 57.16 57.29 2cqa n GLU 43 Cb 0.64 -4.82 -0.08 0.00 -1.01 0.00 0.00 31.44 26.17 2cqa n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2cqa s MET 44 N -3.88 0.76 -0.11 3.49 0.23 -0.79 -5.16 119.30 113.85 2cqa s MET 44 Ca 0.00 0.05 -0.05 0.00 -1.03 0.00 0.00 55.69 54.66 2cqa s MET 44 Cb 0.00 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 2cqa s MET 44 CO 0.00 -0.21 0.06 -1.21 -2.03 0.00 0.00 175.02 171.63 2cqa s GLU 45 N -1.08 3.28 0.05 3.16 2.02 -1.26 0.14 118.70 125.02 2cqa s GLU 45 Ca -0.11 -0.29 0.05 0.00 0.02 0.00 0.00 54.97 54.64 2cqa s GLU 45 Cb -0.03 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 2cqa s GLU 45 CO 0.05 0.68 -0.14 0.99 0.02 0.00 0.00 175.26 176.87 2cqa s THR 46 N -0.80 1.10 0.09 3.63 2.01 -0.34 -4.95 115.64 116.38 2cqa s THR 46 Ca 0.13 -1.13 -0.09 0.00 0.31 0.00 0.00 61.69 60.91 2cqa s THR 46 Cb -0.12 -1.02 -0.06 0.00 0.01 0.00 0.00 72.50 71.31 2cqa s THR 46 CO 0.03 -0.10 0.40 -0.63 -0.69 0.00 0.00 174.62 173.62 2cqa s ILE 47 N -1.04 5.11 -0.05 1.82 1.09 -1.26 -1.95 121.20 124.92 2cqa s ILE 47 Ca -0.00 0.37 0.05 0.00 -1.10 0.00 0.00 60.65 59.97 2cqa s ILE 47 Cb -0.09 -3.64 -0.01 0.00 -1.06 0.00 0.00 42.46 37.67 2cqa s ILE 47 CO 0.02 0.23 -0.22 -0.31 -0.10 0.00 0.00 174.94 174.56 2cqa s TYR 48 N -1.46 2.16 -0.39 3.97 2.02 0.38 -4.98 117.35 119.05 2cqa s TYR 48 Ca 0.35 -0.63 -0.29 0.00 -0.37 0.00 0.00 57.07 56.13 2cqa s TYR 48 Cb -0.13 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 40.02 2cqa s TYR 48 CO 0.19 -0.19 1.20 0.16 -1.57 0.00 0.00 175.55 175.34 2cqa s ASP 49 N -0.11 6.67 0.14 2.29 -4.77 -1.26 -2.85 116.67 116.79 2cqa s ASP 49 Ca -0.03 0.84 -0.03 0.00 -3.30 0.00 0.00 52.55 50.03 2cqa s ASP 49 Cb -0.13 -2.54 -0.05 0.00 -1.09 0.00 0.00 42.92 39.11 2cqa s ASP 49 CO 0.03 -1.15 0.35 -0.76 0.70 0.00 0.00 175.17 174.34 2cqa s LEU 50 N 4.38 4.28 0.00 2.11 1.43 0.39 -4.98 118.68 126.29 2cqa s LEU 50 Ca 0.51 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2cqa s LEU 50 Cb -0.12 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.88 2cqa s LEU 50 CO 0.26 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.50 2cqa n GLY 51 N -0.01 0.93 1.08 -3.19 0.00 -1.26 -2.20 105.19 100.54 2cqa n GLY 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2cqa n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cqa n THR 52 N 0.00 0.01 0.00 2.61 -1.04 -1.21 -2.94 114.28 111.70 2cqa n THR 52 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 2cqa n THR 52 Cb 0.00 -1.42 0.24 0.00 -1.82 0.00 0.00 70.33 67.33 2cqa n THR 52 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2cqa h LYS 53 N 0.00 0.52 -0.78 -2.82 1.79 -1.92 -2.48 116.57 110.87 2cqa h LYS 53 Ca 0.00 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 2cqa h LYS 53 Cb 0.91 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.47 2cqa h LYS 53 CO 0.00 0.65 0.41 0.52 -1.08 0.00 0.00 179.45 179.95 2cqa h MET 54 N 0.48 1.10 -0.17 3.15 2.86 -1.86 -2.86 114.93 117.63 2cqa h MET 54 Ca 0.09 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2cqa h MET 54 Cb 0.52 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2cqa h MET 54 CO 0.03 0.82 -0.20 0.82 1.06 0.00 0.00 176.91 179.44 2cqa h ILE 55 N 1.10 1.34 -1.13 -1.22 2.04 -1.75 -3.03 117.51 114.87 2cqa h ILE 55 Ca 0.27 -1.39 0.32 0.00 1.00 0.00 0.00 64.86 65.06 2cqa h ILE 55 Cb 0.05 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 2cqa h ILE 55 CO -0.04 0.42 0.79 -0.33 0.00 0.00 0.00 178.15 178.99 2cqa h GLU 56 N 0.07 0.08 -0.02 2.37 5.08 -1.23 0.76 114.58 121.70 2cqa h GLU 56 Ca 0.02 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2cqa h GLU 56 Cb 0.76 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2cqa h GLU 56 CO 0.05 0.06 -0.18 0.77 -1.00 0.00 0.00 179.01 178.70 2cqa h SER 57 N 0.09 0.20 0.00 1.42 0.02 -1.41 -2.42 113.55 111.44 2cqa h SER 57 Ca 0.56 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2cqa h SER 57 Cb 2.05 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.53 2cqa h SER 57 CO -0.08 0.87 0.09 -0.07 -1.14 0.00 0.00 176.83 176.51 2cqa h LEU 58 N -0.46 0.00 0.00 5.07 3.38 -0.80 -2.58 115.31 119.92 2cqa h LEU 58 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2cqa h LEU 58 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2cqa h LEU 58 CO 0.04 0.00 -0.92 0.35 0.09 0.00 0.00 178.44 178.00 2cqa n THR 59 N -2.36 1.47 -0.44 0.22 -2.24 -0.89 0.27 114.28 110.31 2cqa n THR 59 Ca -0.02 0.10 0.39 0.00 -2.27 0.00 0.00 64.05 62.25 2cqa n THR 59 Cb 0.13 -2.24 0.74 0.00 -2.10 0.00 0.00 70.33 66.86 2cqa n THR 59 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2cqa h LYS 60 N -1.00 0.04 -0.01 -0.78 3.64 -1.06 0.65 116.57 118.07 2cqa h LYS 60 Ca -0.16 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2cqa h LYS 60 Cb 0.88 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2cqa h LYS 60 CO -0.10 0.03 -0.15 -0.25 -2.27 0.00 0.00 179.45 176.71 2cqa n ASP 61 N -4.21 1.04 -3.75 4.20 8.00 -1.04 -5.01 116.55 115.78 2cqa n ASP 61 Ca 0.32 -1.02 -0.22 0.00 0.71 0.00 0.00 54.79 54.57 2cqa n ASP 61 Cb 1.44 0.47 0.02 0.00 -0.02 0.00 0.00 41.12 43.03 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 -0.30 -4.66 -1.78 -1.24 4.76 0.23 -4.87 118.16 110.29 2cqa n LYS 62 Ca 0.03 0.58 -0.42 0.00 -2.87 0.00 0.00 58.31 55.63 2cqa n LYS 62 Cb 0.16 -5.08 -0.03 0.00 -1.84 0.00 0.00 35.03 28.24 2cqa n LYS 62 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cqa s VAL 63 N -3.70 2.16 0.38 -0.18 1.01 0.14 -4.97 120.40 115.25 2cqa s VAL 63 Ca 0.03 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.18 2cqa s VAL 63 Cb -0.02 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2cqa s VAL 63 CO 0.83 0.01 0.15 0.00 0.00 0.00 0.00 175.10 176.09 2cqa n GLN 64 N 3.62 0.58 -2.09 2.72 1.13 -1.26 -4.93 117.38 117.15 2cqa n GLN 64 Ca 0.14 -3.28 -0.35 0.00 -1.94 0.00 0.00 57.00 51.57 2cqa n GLN 64 Cb 0.36 1.86 0.02 0.00 0.11 0.00 0.00 30.24 32.59 2cqa n GLN 64 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2cqa s ALA 65 N -3.08 2.61 0.00 -1.58 0.00 -1.26 -3.45 121.76 115.00 2cqa s ALA 65 Ca 0.21 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2cqa s ALA 65 Cb 0.01 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2cqa s ALA 65 CO 0.15 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2cqa n GLY 66 N 0.01 3.08 3.97 0.00 0.00 0.52 -5.00 105.19 107.76 2cqa n GLY 66 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 0.48 4.89 -0.18 1.61 1.01 -1.22 -4.81 116.67 118.45 2cqa s ASP 67 Ca 0.00 0.03 -0.01 0.00 0.71 0.00 0.00 52.55 53.28 2cqa s ASP 67 Cb 0.00 -0.72 -0.00 0.00 1.01 0.00 0.00 42.92 43.21 2cqa s ASP 67 CO 0.00 -1.47 -0.12 -0.69 0.21 0.00 0.00 175.17 173.11 2cqa s VAL 68 N -3.00 2.85 0.05 -1.27 1.01 -1.26 0.07 120.40 118.85 2cqa s VAL 68 Ca 0.61 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.95 2cqa s VAL 68 Cb -0.09 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2cqa s VAL 68 CO 0.42 0.49 -0.14 0.27 0.00 0.00 0.00 175.10 176.13 2cqa s ILE 69 N 1.12 1.11 0.33 2.22 -5.25 -1.16 -2.14 121.20 117.44 2cqa s ILE 69 Ca 0.01 -1.13 0.07 0.00 -0.99 0.00 0.00 60.65 58.61 2cqa s ILE 69 Cb -0.14 -1.03 -0.01 0.00 2.95 0.00 0.00 42.46 44.22 2cqa s ILE 69 CO -0.04 -0.09 0.42 0.42 -1.79 0.00 0.00 174.94 173.86 2cqa s THR 70 N -1.03 3.93 -0.22 8.37 -4.23 0.11 -3.36 115.64 119.21 2cqa s THR 70 Ca 0.00 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.39 2cqa s THR 70 Cb -0.09 -3.35 0.07 0.00 1.34 0.00 0.00 72.50 70.47 2cqa s THR 70 CO 0.02 -0.16 0.05 -0.63 -0.54 0.00 0.00 174.62 173.36 2cqa s ILE 71 N -2.21 0.57 -0.62 2.99 1.01 -0.48 -2.05 121.20 120.40 2cqa s ILE 71 Ca 0.44 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 60.12 2cqa s ILE 71 Cb -0.09 -1.16 0.07 0.00 0.01 0.00 0.00 42.46 41.29 2cqa s ILE 71 CO 0.30 -0.34 0.90 -1.81 0.00 0.00 0.00 174.94 174.00 2cqa s ASP 72 N 1.82 6.20 0.17 3.58 1.11 0.38 -2.57 116.67 127.37 2cqa s ASP 72 Ca 0.02 -0.96 -0.11 0.00 0.18 0.00 0.00 52.55 51.68 2cqa s ASP 72 Cb -0.17 -2.40 0.07 0.00 1.07 0.00 0.00 42.92 41.50 2cqa s ASP 72 CO -0.13 -1.33 1.69 0.11 1.18 0.00 0.00 175.17 176.69 2cqa h LYS 73 N 9.44 0.96 -0.62 8.23 1.57 -1.18 1.91 116.57 136.89 2cqa h LYS 73 Ca -0.28 -0.22 0.13 0.00 -1.87 0.00 0.00 60.65 58.40 2cqa h LYS 73 Cb 1.07 -0.13 -0.11 0.00 0.08 0.00 0.00 32.23 33.14 2cqa h LYS 73 CO 1.14 0.87 -0.10 0.00 -0.57 0.00 0.00 179.45 180.79 2cqa h ALA 74 N 1.05 0.48 -0.00 3.86 0.00 -1.91 -1.54 119.26 121.20 2cqa h ALA 74 Ca 0.19 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2cqa h ALA 74 Cb 0.32 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2cqa h ALA 74 CO -0.00 -0.42 -0.95 0.25 0.00 0.00 0.00 179.25 178.13 2cqa n THR 75 N -5.38 0.00 -3.02 0.00 -2.24 -1.14 -4.98 114.28 97.52 2cqa n THR 75 Ca 0.08 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 2cqa n THR 75 Cb 0.34 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.63 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 1.49 -0.37 3.40 3.38 0.00 0.64 -5.01 105.19 108.72 2cqa n GLY 76 Ca 0.04 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.66 1.47 -0.15 1.61 -0.14 -0.58 -4.43 119.74 111.85 2cqa s LYS 77 Ca 0.31 -1.55 -0.02 0.00 -1.36 0.00 0.00 55.97 53.35 2cqa s LYS 77 Cb -0.14 -1.63 -0.02 0.00 -1.68 0.00 0.00 37.83 34.36 2cqa s LYS 77 CO 0.38 0.33 -0.08 0.42 -0.76 0.00 0.00 175.35 175.65 2cqa s ILE 78 N -2.04 3.50 0.16 2.17 1.01 -1.26 -0.47 121.20 124.26 2cqa s ILE 78 Ca 0.21 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.45 2cqa s ILE 78 Cb -0.06 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 2cqa s ILE 78 CO 0.10 0.50 -0.13 -0.44 0.00 0.00 0.00 174.94 174.97 2cqa s SER 79 N 0.42 4.10 -0.09 3.58 0.01 -0.87 -4.87 113.70 115.97 2cqa s SER 79 Ca -0.07 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 2cqa s SER 79 Cb -0.15 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 2cqa s SER 79 CO 0.04 0.13 0.01 -0.75 0.41 0.00 0.00 173.24 173.08 2cqa s LYS 80 N -2.58 3.07 0.05 12.44 2.20 -1.26 0.08 119.74 133.75 2cqa s LYS 80 Ca 0.22 -0.39 0.08 0.00 -0.36 0.00 0.00 55.97 55.53 2cqa s LYS 80 Cb -0.09 -2.84 -0.03 0.00 -1.51 0.00 0.00 37.83 33.36 2cqa s LYS 80 CO 0.13 0.68 -0.23 -0.51 -0.36 0.00 0.00 175.35 175.06 2cqa s LEU 81 N -0.81 2.18 0.00 5.43 1.02 -0.91 -4.95 118.68 120.65 2cqa s LEU 81 Ca 0.12 -0.56 0.00 0.00 0.02 0.00 0.00 54.13 53.72 2cqa s LEU 81 Cb -0.11 -1.07 0.00 0.00 0.02 0.00 0.00 46.19 45.03 2cqa s LEU 81 CO 0.02 0.19 0.31 0.61 0.02 0.00 0.00 176.35 177.50 2cqa n GLY 82 N 1.76 -2.28 3.77 -3.19 0.00 -1.26 -4.41 105.19 99.57 2cqa n GLY 82 Ca -0.17 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 2cqa n GLY 82 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cqa s ARG 83 N -0.88 1.04 0.19 1.61 3.52 -1.26 -4.65 118.95 118.52 2cqa s ARG 83 Ca 0.00 -0.60 -0.33 0.00 -0.13 0.00 0.00 55.73 54.67 2cqa s ARG 83 Cb 0.00 0.33 -0.13 0.00 -1.56 0.00 0.00 34.95 33.59 2cqa s ARG 83 CO 0.00 -0.48 1.65 0.43 -0.81 0.00 0.00 175.30 176.09 2cqa n SER 84 N -0.68 3.57 0.17 -2.12 7.64 -1.26 -4.93 113.62 116.00 2cqa n SER 84 Ca -0.05 1.08 -0.07 0.00 1.01 0.00 0.00 58.87 60.83 2cqa n SER 84 Cb 0.61 -1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.27 2cqa n SER 84 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2cqa h PHE 85 N 6.26 -0.41 -2.73 1.43 3.57 -2.02 -3.42 116.94 119.62 2cqa h PHE 85 Ca -0.44 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.52 2cqa h PHE 85 Cb 1.23 0.13 0.04 0.00 2.79 0.00 0.00 35.95 40.14 2cqa h PHE 85 CO 0.63 -0.25 0.96 0.99 -2.23 0.00 0.00 178.31 178.41 2cqa s THR 86 N -3.66 2.57 -0.03 4.41 2.01 -1.26 -4.88 115.64 114.79 2cqa s THR 86 Ca -0.06 0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.29 2cqa s THR 86 Cb 0.01 -3.20 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 2cqa s THR 86 CO 0.19 0.02 0.10 0.54 -0.69 0.00 0.00 174.62 174.77 2cqa n ARG 87 N 4.49 1.01 -4.40 4.92 5.12 -1.26 -5.01 116.66 121.53 2cqa n ARG 87 Ca 0.15 -0.03 -0.38 0.00 -1.93 0.00 0.00 57.85 55.66 2cqa n ARG 87 Cb 0.38 -1.03 -0.07 0.00 -1.16 0.00 0.00 32.46 30.59 2cqa n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cqa n ALA 88 N -1.55 -1.39 0.02 7.54 0.00 -1.26 -4.78 120.51 119.09 2cqa n ALA 88 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 2cqa n ALA 88 Cb 0.09 -2.46 -0.00 0.00 0.00 0.00 0.00 19.45 17.08 2cqa n ALA 88 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2cqa n ARG 89 N -4.25 0.01 -2.53 0.00 0.00 -1.26 -5.09 116.66 103.53 2cqa n ARG 89 Ca 0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.65 2cqa n ARG 89 Cb 0.51 -0.25 0.04 0.00 0.00 0.00 0.00 32.46 32.76 2cqa n ARG 89 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2cqa s SER 90 N -5.46 5.17 0.10 6.15 1.04 -1.26 -5.12 113.70 114.32 2cqa s SER 90 Ca -0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2cqa s SER 90 Cb 0.00 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.18 2cqa s SER 90 CO 0.00 -1.25 0.01 0.61 0.98 0.00 0.00 173.24 173.59 2cqa n GLY 91 N -2.49 3.98 3.77 7.32 0.00 -1.26 -5.05 105.19 111.46 2cqa n GLY 91 Ca 0.08 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.38 3.15 -0.15 1.61 0.04 -1.26 -5.04 135.00 130.97 2cqa s PRO 92 Ca 0.01 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 2cqa s PRO 92 Cb -0.00 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2cqa s PRO 92 CO 0.00 -1.00 0.00 0.45 0.04 0.00 0.00 177.00 176.50 2cqa s SER 93 N -2.07 5.15 0.16 6.66 0.15 -1.26 -5.11 113.70 117.39 2cqa s SER 93 Ca 0.71 -0.00 -0.02 0.00 0.70 0.00 0.00 55.95 57.33 2cqa s SER 93 Cb -0.23 -1.78 -0.05 0.00 -1.71 0.00 0.00 66.02 62.26 2cqa s SER 93 CO 0.32 0.22 0.37 -0.44 1.20 0.00 0.00 173.24 174.91 2cqa s SER 94 N 0.09 6.43 0.00 5.45 0.01 -1.26 -5.37 113.70 119.05 2cqa s SER 94 Ca 0.02 0.48 0.28 0.00 1.31 0.00 0.00 55.95 58.03 2cqa s SER 94 Cb -0.13 -2.04 0.98 0.00 0.21 0.00 0.00 66.02 65.03 2cqa s SER 94 CO 0.02 0.01 1.70 0.61 0.41 0.00 0.00 173.24 176.00