#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 -0.54 -0.04 1.61 0.15 -1.26 -5.05 113.70 108.57 2cqa s SER 2 Ca 0.00 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.19 2cqa s SER 2 Cb 0.00 0.47 -0.10 0.00 -1.71 0.00 0.00 66.02 64.68 2cqa s SER 2 CO 0.00 -0.59 0.10 -1.54 1.20 0.00 0.00 173.24 172.41 2cqa n SER 3 N 0.59 3.33 -0.27 5.45 3.41 -1.26 -5.12 113.62 119.76 2cqa n SER 3 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2cqa n SER 3 Cb 0.59 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 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 2.32 -1.65 2.88 5.00 0.00 -1.26 -5.10 105.19 107.37 2cqa n GLY 4 Ca -0.06 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.07 0.23 0.29 1.61 0.01 -1.26 -5.12 113.70 109.38 2cqa s SER 5 Ca 0.00 -0.03 -0.17 0.00 1.31 0.00 0.00 55.95 57.06 2cqa s SER 5 Cb 0.00 -0.05 -0.12 0.00 0.21 0.00 0.00 66.02 66.05 2cqa s SER 5 CO 0.00 -0.01 0.11 -0.24 0.41 0.00 0.00 173.24 173.52 2cqa n SER 6 N 3.28 -2.05 -1.23 2.44 2.88 -1.26 -4.97 113.62 112.71 2cqa n SER 6 Ca -0.16 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2cqa n SER 6 Cb 0.57 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2cqa n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqa n GLY 7 N 1.77 4.56 0.04 0.46 0.00 -1.26 -5.04 105.19 105.72 2cqa n GLY 7 Ca 0.09 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 0.17 -3.86 1.61 4.01 -1.26 -4.94 118.16 113.89 2cqa n LYS 8 Ca 0.00 0.06 -0.27 0.00 -0.51 0.00 0.00 58.31 57.59 2cqa n LYS 8 Cb 0.00 -1.62 -0.07 0.00 -0.51 0.00 0.00 35.03 32.83 2cqa n LYS 8 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2cqa n GLU 9 N -1.87 -0.88 -2.01 1.97 -0.58 -1.26 -4.79 120.64 111.22 2cqa n GLU 9 Ca 0.04 0.08 -0.33 0.00 -0.42 0.00 0.00 57.16 56.54 2cqa n GLU 9 Cb 0.40 -3.09 0.03 0.00 -0.57 0.00 0.00 31.44 28.21 2cqa n GLU 9 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2cqa n GLU 10 N -3.52 3.09 -4.20 3.49 0.00 -1.26 -4.90 120.64 113.33 2cqa n GLU 10 Ca -0.11 -3.89 -0.35 0.00 0.00 0.00 0.00 57.16 52.80 2cqa n GLU 10 Cb 0.46 -2.27 -0.08 0.00 0.00 0.00 0.00 31.44 29.55 2cqa n GLU 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2cqa n THR 11 N -0.61 -0.27 -0.08 6.31 -1.04 -1.26 -4.73 114.28 112.59 2cqa n THR 11 Ca 0.49 -0.13 -0.06 0.00 -2.04 0.00 0.00 64.05 62.31 2cqa n THR 11 Cb 0.56 -0.58 0.02 0.00 -1.82 0.00 0.00 70.33 68.51 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 -3.84 1.29 -4.29 -2.82 -0.58 -1.26 -4.78 120.64 104.36 2cqa n GLU 12 Ca -0.01 -0.61 -0.21 0.00 -0.42 0.00 0.00 57.16 55.91 2cqa n GLU 12 Cb 0.47 -1.24 -0.16 0.00 -0.57 0.00 0.00 31.44 29.94 2cqa n GLU 12 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2cqa s ILE 13 N -0.79 0.69 -0.13 -3.67 -1.09 -1.26 -0.66 121.20 114.30 2cqa s ILE 13 Ca 0.12 -0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.28 2cqa s ILE 13 Cb 0.10 -0.68 0.05 0.00 -1.58 0.00 0.00 42.46 40.34 2cqa s ILE 13 CO 0.01 0.26 0.06 -0.63 -1.23 0.00 0.00 174.94 173.41 2cqa s ILE 14 N 0.80 0.06 0.36 2.92 1.01 -0.51 -4.96 121.20 120.88 2cqa s ILE 14 Ca -0.12 -0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.58 2cqa s ILE 14 Cb -0.15 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 2cqa s ILE 14 CO 0.01 -0.08 0.08 -1.83 0.00 0.00 0.00 174.94 173.12 2cqa s GLU 15 N 2.08 2.17 -0.05 2.79 1.03 -1.26 -1.30 118.70 124.17 2cqa s GLU 15 Ca 0.03 -1.74 -0.31 0.00 0.03 0.00 0.00 54.97 52.98 2cqa s GLU 15 Cb -0.15 -1.99 0.12 0.00 -0.80 0.00 0.00 34.13 31.32 2cqa s GLU 15 CO -0.07 0.07 1.27 0.20 -1.33 0.00 0.00 175.26 175.40 2cqa s GLY 16 N -3.79 -0.39 -0.60 -3.83 0.00 -1.00 -4.97 107.32 92.75 2cqa s GLY 16 Ca 0.37 0.85 -0.26 0.00 0.00 0.00 0.00 44.72 45.68 2cqa s GLY 16 CO 0.21 0.20 1.11 1.85 0.00 0.00 0.00 173.10 176.46 2cqa s GLU 17 N -2.44 3.38 0.08 2.90 2.12 -1.24 -2.85 118.70 120.65 2cqa s GLU 17 Ca 0.13 -0.06 -0.36 0.00 0.36 0.00 0.00 54.97 55.04 2cqa s GLU 17 Cb 0.04 -4.07 -0.16 0.00 0.26 0.00 0.00 34.13 30.20 2cqa s GLU 17 CO -0.04 -1.70 1.42 0.28 -0.54 0.00 0.00 175.26 174.68 2cqa n VAL 18 N 6.43 0.03 -0.04 3.70 0.31 -0.07 -0.86 118.33 127.83 2cqa n VAL 18 Ca 0.05 -0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.29 2cqa n VAL 18 Cb 0.48 -1.02 -0.03 0.00 -0.91 0.00 0.00 33.84 32.37 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 2.87 0.43 -3.82 2.52 0.31 0.14 -1.38 118.33 119.40 2cqa n VAL 19 Ca 0.19 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 2cqa n VAL 19 Cb 0.21 -1.43 -0.13 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.14 0.13 -0.21 5.55 2.12 -1.09 -4.67 118.70 118.38 2cqa s GLU 20 Ca -0.11 0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.41 2cqa s GLU 20 Cb 0.04 0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.51 2cqa s GLU 20 CO 0.15 -0.04 -0.00 0.42 -0.54 0.00 0.00 175.26 175.24 2cqa s ILE 21 N 0.27 0.97 0.02 -3.70 1.01 -1.26 -1.00 121.20 117.50 2cqa s ILE 21 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2cqa s ILE 21 Cb -0.03 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2cqa s ILE 21 CO -0.01 -0.16 0.10 -1.10 0.00 0.00 0.00 174.94 173.77 2cqa s GLN 22 N 1.65 3.08 -0.08 2.79 -0.21 0.58 -4.96 119.66 122.52 2cqa s GLN 22 Ca -0.03 -0.52 -0.03 0.00 0.02 0.00 0.00 55.36 54.80 2cqa s GLN 22 Cb -0.18 -2.86 0.04 0.00 1.00 0.00 0.00 33.01 31.01 2cqa s GLN 22 CO -0.07 0.62 0.06 0.42 -2.12 0.00 0.00 175.29 174.20 2cqa s ILE 23 N -1.28 0.00 -0.15 1.08 -1.09 -1.26 -1.08 121.20 117.42 2cqa s ILE 23 Ca 0.26 0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.71 2cqa s ILE 23 Cb -0.12 -0.35 -0.04 0.00 -1.58 0.00 0.00 42.46 40.36 2cqa s ILE 23 CO 0.18 0.07 0.39 -0.62 -1.23 0.00 0.00 174.94 173.72 2cqa s ASP 24 N 2.12 6.54 0.17 3.58 -1.08 0.29 -5.01 116.67 123.28 2cqa s ASP 24 Ca 0.04 0.64 -0.18 0.00 -0.52 0.00 0.00 52.55 52.52 2cqa s ASP 24 Cb -0.13 -2.23 -0.08 0.00 -1.46 0.00 0.00 42.92 39.02 2cqa s ASP 24 CO -0.05 0.02 0.65 -0.13 0.52 0.00 0.00 175.17 176.19 2cqa s ARG 25 N 0.69 4.19 1.08 4.34 0.52 -1.26 -3.75 118.95 124.75 2cqa s ARG 25 Ca 0.21 0.76 -0.15 0.00 -0.52 0.00 0.00 55.73 56.03 2cqa s ARG 25 Cb -0.14 -2.97 0.23 0.00 0.52 0.00 0.00 34.95 32.58 2cqa s ARG 25 CO 0.07 0.47 1.10 -1.25 0.02 0.00 0.00 175.30 175.71 2cqa s PRO 26 N -1.79 -0.20 0.61 3.54 0.04 -1.26 -5.04 135.00 130.90 2cqa s PRO 26 Ca 0.39 0.30 0.07 0.00 0.04 0.00 0.00 61.00 61.80 2cqa s PRO 26 Cb -0.17 -1.68 0.11 0.00 0.04 0.00 0.00 34.50 32.79 2cqa s PRO 26 CO 0.20 -3.11 0.84 0.00 0.04 0.00 0.00 177.00 174.98 2cqa n ALA 27 N -4.40 1.01 0.41 8.56 0.00 -1.26 -4.99 120.51 119.83 2cqa n ALA 27 Ca 0.08 -2.06 0.13 0.00 0.00 0.00 0.00 53.44 51.58 2cqa n ALA 27 Cb 0.58 0.51 0.50 0.00 0.00 0.00 0.00 19.45 21.05 2cqa n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cqa h THR 28 N -0.06 0.00 0.00 0.00 1.03 -2.01 -3.39 112.91 108.49 2cqa h THR 28 Ca -0.28 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 2cqa h THR 28 Cb 1.24 1.10 0.00 0.00 -1.07 0.00 0.00 68.15 69.42 2cqa h THR 28 CO 0.38 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.50 2cqa n GLY 29 N 0.17 0.97 3.46 2.99 0.00 -1.26 -5.09 105.19 106.43 2cqa n GLY 29 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 0.00 2.61 2.01 -1.26 -5.16 115.64 113.84 2cqa s THR 30 Ca 0.00 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2cqa s THR 30 Cb 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.71 2cqa s THR 30 CO 0.00 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 2cqa n GLY 31 N 2.48 2.24 3.79 4.40 0.00 -1.26 -4.72 105.19 112.12 2cqa n GLY 31 Ca -0.15 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 5.06 0.01 1.61 0.01 -1.26 -4.67 113.70 114.46 2cqa s SER 32 Ca 0.00 1.76 -0.30 0.00 1.31 0.00 0.00 55.95 58.72 2cqa s SER 32 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2cqa s SER 32 CO 0.00 -1.66 1.05 -0.54 0.41 0.00 0.00 173.24 172.50 2cqa s LYS 33 N -4.78 4.51 -0.03 12.44 1.02 -1.26 -4.77 119.74 126.87 2cqa s LYS 33 Ca 0.61 1.52 0.06 0.00 0.02 0.00 0.00 55.97 58.18 2cqa s LYS 33 Cb -0.16 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 2cqa s LYS 33 CO 0.52 -0.14 -0.20 0.14 -0.92 0.00 0.00 175.35 174.76 2cqa s VAL 34 N 1.12 1.59 0.00 3.17 -7.23 -1.25 -3.71 120.40 114.10 2cqa s VAL 34 Ca 0.54 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.85 2cqa s VAL 34 Cb -0.23 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 2cqa s VAL 34 CO 0.28 0.45 0.02 -0.83 -0.31 0.00 0.00 175.10 174.70 2cqa s GLY 35 N -0.31 0.11 -0.22 2.32 0.00 -0.88 -0.55 107.32 107.79 2cqa s GLY 35 Ca 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.46 2cqa s GLY 35 CO 0.00 -0.31 -0.04 1.25 0.00 0.00 0.00 173.10 174.01 2cqa s LYS 36 N -0.87 3.42 -0.12 2.90 2.36 -0.24 0.01 119.74 127.20 2cqa s LYS 36 Ca -0.10 -0.61 0.01 0.00 -2.55 0.00 0.00 55.97 52.73 2cqa s LYS 36 Cb -0.06 -3.02 -0.01 0.00 -1.05 0.00 0.00 37.83 33.69 2cqa s LYS 36 CO -0.00 -0.16 -0.16 -1.17 1.55 0.00 0.00 175.35 175.41 2cqa s LEU 37 N 1.39 2.58 -0.16 5.43 2.96 -1.03 -0.31 118.68 129.55 2cqa s LEU 37 Ca 0.05 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2cqa s LEU 37 Cb -0.14 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.99 2cqa s LEU 37 CO -0.02 0.17 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.10 2cqa s THR 38 N 0.28 2.17 0.07 3.68 2.01 -0.17 0.49 115.64 124.16 2cqa s THR 38 Ca -0.11 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.02 2cqa s THR 38 Cb -0.16 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 2cqa s THR 38 CO 0.06 0.54 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.65 2cqa s LEU 39 N 1.03 2.94 -0.55 4.42 1.02 -0.03 0.24 118.68 127.75 2cqa s LEU 39 Ca -0.02 -0.35 -0.16 0.00 0.02 0.00 0.00 54.13 53.62 2cqa s LEU 39 Cb -0.14 -1.73 0.13 0.00 0.02 0.00 0.00 46.19 44.46 2cqa s LEU 39 CO -0.06 0.22 0.52 -0.75 0.02 0.00 0.00 176.35 176.30 2cqa s LYS 40 N -1.82 3.00 0.57 1.70 2.20 -0.04 -1.57 119.74 123.77 2cqa s LYS 40 Ca 0.18 -1.67 0.00 0.00 -0.36 0.00 0.00 55.97 54.13 2cqa s LYS 40 Cb -0.11 -4.30 0.03 0.00 -1.51 0.00 0.00 37.83 31.95 2cqa s LYS 40 CO 0.10 -1.35 0.80 0.95 -0.36 0.00 0.00 175.35 175.49 2cqa s THR 41 N 1.72 2.71 -0.36 3.43 -4.23 0.22 -3.72 115.64 115.41 2cqa s THR 41 Ca 0.04 -0.59 -0.29 0.00 -1.18 0.00 0.00 61.69 59.67 2cqa s THR 41 Cb -0.29 -3.04 -0.13 0.00 1.34 0.00 0.00 72.50 70.38 2cqa s THR 41 CO 0.03 -0.03 1.45 1.07 -0.54 0.00 0.00 174.62 176.61 2cqa n THR 42 N -2.41 0.00 -3.92 3.99 5.66 -1.26 0.97 114.28 117.31 2cqa n THR 42 Ca 0.08 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.81 2cqa n THR 42 Cb 0.60 -0.33 -0.08 0.00 -1.55 0.00 0.00 70.33 68.97 2cqa n THR 42 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2cqa n GLU 43 N 5.04 -0.92 -3.61 1.09 -0.58 -1.26 -4.85 120.64 115.55 2cqa n GLU 43 Ca 0.37 0.08 -0.06 0.00 -0.42 0.00 0.00 57.16 57.13 2cqa n GLU 43 Cb -0.02 -2.98 -0.02 0.00 -0.57 0.00 0.00 31.44 27.85 2cqa n GLU 43 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2cqa s MET 44 N -6.33 0.98 -0.02 3.49 1.75 0.27 -5.17 119.30 114.27 2cqa s MET 44 Ca 0.13 -0.46 0.00 0.00 -1.25 0.00 0.00 55.69 54.12 2cqa s MET 44 Cb -0.08 0.39 0.02 0.00 2.84 0.00 0.00 34.83 38.00 2cqa s MET 44 CO 0.79 -0.44 0.00 -2.00 -0.65 0.00 0.00 175.02 172.72 2cqa s GLU 45 N -3.18 0.16 0.05 4.11 2.12 -1.26 0.71 118.70 121.41 2cqa s GLU 45 Ca 0.08 0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.52 2cqa s GLU 45 Cb -0.01 -0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.05 2cqa s GLU 45 CO -0.04 -0.08 -0.14 0.99 -0.54 0.00 0.00 175.26 175.45 2cqa s THR 46 N 0.64 1.14 -0.31 -1.70 2.01 -0.61 -4.95 115.64 111.86 2cqa s THR 46 Ca -0.06 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 2cqa s THR 46 Cb -0.09 -1.05 0.04 0.00 0.01 0.00 0.00 72.50 71.41 2cqa s THR 46 CO -0.01 -0.04 0.05 -0.63 -0.69 0.00 0.00 174.62 173.30 2cqa s ILE 47 N -0.95 3.46 -0.31 1.82 1.09 -1.26 -0.85 121.20 124.20 2cqa s ILE 47 Ca 0.01 -1.16 -0.19 0.00 -1.10 0.00 0.00 60.65 58.21 2cqa s ILE 47 Cb -0.08 -2.94 -0.01 0.00 -1.06 0.00 0.00 42.46 38.37 2cqa s ILE 47 CO 0.02 -0.10 0.58 -0.31 -0.10 0.00 0.00 174.94 175.02 2cqa s TYR 48 N 1.36 3.21 0.18 3.97 1.51 0.18 -4.92 117.35 122.83 2cqa s TYR 48 Ca -0.02 0.47 -0.31 0.00 -1.01 0.00 0.00 57.07 56.19 2cqa s TYR 48 Cb -0.19 -2.93 -0.09 0.00 -0.11 0.00 0.00 41.96 38.63 2cqa s TYR 48 CO 0.01 -0.47 1.46 -0.51 -1.11 0.00 0.00 175.55 174.94 2cqa s ASP 49 N 1.67 6.69 -0.21 2.29 1.01 -1.26 -2.46 116.67 124.41 2cqa s ASP 49 Ca 0.23 2.54 -0.08 0.00 0.71 0.00 0.00 52.55 55.94 2cqa s ASP 49 Cb -0.15 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 2cqa s ASP 49 CO 0.12 -0.72 0.07 -0.76 0.21 0.00 0.00 175.17 174.09 2cqa s LEU 50 N 0.62 3.71 0.00 1.23 1.43 0.10 -4.96 118.68 120.81 2cqa s LEU 50 Ca 0.65 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 2cqa s LEU 50 Cb -0.41 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2cqa s LEU 50 CO 0.35 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.63 2cqa n GLY 51 N 4.06 0.80 0.03 -3.19 0.00 -1.26 -2.08 105.19 103.55 2cqa n GLY 51 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 0.43 0.07 2.61 -1.04 -1.24 -4.11 114.28 111.00 2cqa n THR 52 Ca 0.00 -0.21 -0.21 0.00 -2.04 0.00 0.00 64.05 61.58 2cqa n THR 52 Cb 0.00 -0.81 -0.15 0.00 -1.82 0.00 0.00 70.33 67.55 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 0.35 -0.93 -2.82 1.79 -1.95 -3.19 116.57 109.82 2cqa h LYS 53 Ca -0.17 -0.60 0.15 0.00 -2.18 0.00 0.00 60.65 57.85 2cqa h LYS 53 Cb 1.32 0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 32.12 2cqa h LYS 53 CO -0.01 1.29 0.59 0.52 -1.08 0.00 0.00 179.45 180.76 2cqa h MET 54 N -0.24 0.72 0.18 3.15 2.86 -1.85 -2.22 114.93 117.53 2cqa h MET 54 Ca -0.19 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2cqa h MET 54 Cb 1.78 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.28 2cqa h MET 54 CO 0.17 0.48 -0.09 0.82 1.06 0.00 0.00 176.91 179.35 2cqa h ILE 55 N 0.74 0.94 -1.39 -1.22 2.04 -1.80 -2.88 117.51 113.93 2cqa h ILE 55 Ca 0.48 -0.70 0.40 0.00 1.00 0.00 0.00 64.86 66.04 2cqa h ILE 55 Cb 0.73 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 2cqa h ILE 55 CO -0.24 0.16 1.29 -0.62 0.00 0.00 0.00 178.15 178.74 2cqa n GLU 56 N -5.04 0.01 -0.02 2.37 -0.58 -0.84 0.13 120.64 116.66 2cqa n GLU 56 Ca -0.09 1.04 -0.20 0.00 -0.42 0.00 0.00 57.16 57.48 2cqa n GLU 56 Cb 0.23 -2.50 -0.13 0.00 -0.57 0.00 0.00 31.44 28.47 2cqa n GLU 56 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2cqa h SER 57 N 0.00 0.26 0.00 1.62 0.02 -1.47 -3.21 113.55 110.77 2cqa h SER 57 Ca 0.66 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2cqa h SER 57 Cb 3.24 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 65.70 2cqa h SER 57 CO -0.01 1.50 0.06 0.18 -1.14 0.00 0.00 176.83 177.42 2cqa n LEU 58 N -4.12 0.19 -0.07 5.07 4.77 0.34 -1.52 117.00 121.67 2cqa n LEU 58 Ca -0.24 0.55 -0.22 0.00 -0.03 0.00 0.00 56.01 56.07 2cqa n LEU 58 Cb 0.80 -0.56 -0.12 0.00 -2.33 0.00 0.00 43.42 41.20 2cqa n LEU 58 CO 0.36 -0.61 -0.93 0.35 -1.33 0.00 0.00 177.39 175.23 2cqa n THR 59 N -1.73 1.63 0.28 -5.08 -2.24 -0.74 -1.68 114.28 104.72 2cqa n THR 59 Ca -0.00 -0.44 0.15 0.00 -2.27 0.00 0.00 64.05 61.49 2cqa n THR 59 Cb 0.07 -1.78 0.81 0.00 -2.10 0.00 0.00 70.33 67.33 2cqa n THR 59 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2cqa h LYS 60 N -0.38 0.00 -0.04 -0.78 1.57 -1.27 -1.63 116.57 114.05 2cqa h LYS 60 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2cqa h LYS 60 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.07 2cqa h LYS 60 CO -0.10 0.08 0.00 -0.40 -0.57 0.00 0.00 179.45 178.46 2cqa n ASP 61 N -3.48 2.41 -4.18 0.86 5.68 -0.85 -4.98 116.55 112.01 2cqa n ASP 61 Ca -0.02 -1.70 -0.34 0.00 -0.50 0.00 0.00 54.79 52.24 2cqa n ASP 61 Cb 0.21 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.15 2cqa n ASP 61 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2cqa n LYS 62 N 0.93 -3.04 -1.66 0.11 5.02 -0.61 -4.85 118.16 114.06 2cqa n LYS 62 Ca 0.10 0.36 -0.39 0.00 -2.02 0.00 0.00 58.31 56.36 2cqa n LYS 62 Cb 0.42 -4.90 0.03 0.00 -0.02 0.00 0.00 35.03 30.56 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 -4.39 3.22 -3.95 -0.18 0.31 -0.68 -5.01 118.33 107.65 2cqa n VAL 63 Ca -0.03 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.70 2cqa n VAL 63 Cb 0.54 -1.34 -0.02 0.00 -0.91 0.00 0.00 33.84 32.11 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 -2.51 1.93 0.33 5.55 -0.21 -1.26 -4.98 119.66 118.50 2cqa s GLN 64 Ca 0.69 -1.46 -0.29 0.00 0.02 0.00 0.00 55.36 54.32 2cqa s GLN 64 Cb -0.47 0.53 -0.10 0.00 1.00 0.00 0.00 33.01 33.97 2cqa s GLN 64 CO 0.52 -0.85 1.25 0.00 -2.12 0.00 0.00 175.29 174.09 2cqa s ALA 65 N -3.10 3.45 0.00 6.09 0.00 -1.26 -3.37 121.76 123.57 2cqa s ALA 65 Ca 0.22 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2cqa s ALA 65 Cb -0.03 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2cqa s ALA 65 CO 0.14 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2cqa n GLY 66 N 0.88 1.80 3.98 0.00 0.00 -0.48 -4.99 105.19 106.38 2cqa n GLY 66 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.35 5.09 -0.24 1.61 1.01 -1.22 -4.85 116.67 117.72 2cqa s ASP 67 Ca 0.00 -0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.13 2cqa s ASP 67 Cb 0.00 -0.62 0.04 0.00 1.01 0.00 0.00 42.92 43.36 2cqa s ASP 67 CO 0.00 -1.29 -0.12 -0.69 0.21 0.00 0.00 175.17 173.28 2cqa s VAL 68 N -2.82 2.26 0.18 -1.27 1.01 -0.99 -0.89 120.40 117.88 2cqa s VAL 68 Ca 0.59 -1.36 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2cqa s VAL 68 Cb -0.09 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2cqa s VAL 68 CO 0.39 0.15 -0.05 0.27 0.00 0.00 0.00 175.10 175.87 2cqa s ILE 69 N 1.19 3.44 0.36 2.22 -5.25 -1.13 -0.22 121.20 121.80 2cqa s ILE 69 Ca -0.04 -1.55 0.08 0.00 -0.99 0.00 0.00 60.65 58.15 2cqa s ILE 69 Cb -0.18 -2.72 -0.03 0.00 2.95 0.00 0.00 42.46 42.49 2cqa s ILE 69 CO -0.07 -0.11 0.29 0.42 -1.79 0.00 0.00 174.94 173.67 2cqa s THR 70 N -1.73 3.23 -0.16 8.37 -4.23 0.80 -2.36 115.64 119.56 2cqa s THR 70 Ca 0.26 -1.42 -0.03 0.00 -1.18 0.00 0.00 61.69 59.32 2cqa s THR 70 Cb -0.09 -3.11 0.05 0.00 1.34 0.00 0.00 72.50 70.70 2cqa s THR 70 CO 0.17 -0.13 0.04 -0.63 -0.54 0.00 0.00 174.62 173.53 2cqa s ILE 71 N -2.37 0.36 -0.48 2.99 1.01 -0.42 -3.05 121.20 119.23 2cqa s ILE 71 Ca 0.42 -0.33 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 2cqa s ILE 71 Cb -0.04 -0.83 0.06 0.00 0.01 0.00 0.00 42.46 41.66 2cqa s ILE 71 CO 0.26 -0.13 0.53 -0.62 0.00 0.00 0.00 174.94 174.98 2cqa s ASP 72 N 1.94 6.20 0.23 3.58 -1.08 -0.52 -1.43 116.67 125.58 2cqa s ASP 72 Ca 0.01 -1.02 -0.02 0.00 -0.52 0.00 0.00 52.55 51.00 2cqa s ASP 72 Cb -0.16 -2.25 0.23 0.00 -1.46 0.00 0.00 42.92 39.29 2cqa s ASP 72 CO -0.08 -0.77 1.64 0.11 0.52 0.00 0.00 175.17 176.59 2cqa h LYS 73 N 8.88 0.67 -0.88 4.34 1.57 -1.20 1.37 116.57 131.32 2cqa h LYS 73 Ca -0.28 -0.28 0.14 0.00 -1.87 0.00 0.00 60.65 58.36 2cqa h LYS 73 Cb 1.10 -0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.24 2cqa h LYS 73 CO 0.92 0.87 -0.37 0.00 -0.57 0.00 0.00 179.45 180.30 2cqa h ALA 74 N 1.12 0.13 0.00 3.86 0.00 -1.92 -3.20 119.26 119.25 2cqa h ALA 74 Ca 0.07 0.25 -0.23 0.00 0.00 0.00 0.00 54.91 55.00 2cqa h ALA 74 Cb 0.76 0.93 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 2cqa h ALA 74 CO 0.06 -0.63 -1.89 -2.37 0.00 0.00 0.00 179.25 174.43 2cqa n THR 75 N -5.47 0.89 0.00 0.00 5.66 -1.21 -5.04 114.28 109.11 2cqa n THR 75 Ca 0.09 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2cqa n THR 75 Cb 0.39 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 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 2.62 1.68 3.73 1.09 0.00 0.47 -5.10 105.19 109.69 2cqa n GLY 76 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.61 2.69 -0.11 1.61 1.02 -1.07 -4.54 119.74 118.73 2cqa s LYS 77 Ca 0.00 -0.90 0.03 0.00 0.02 0.00 0.00 55.97 55.12 2cqa s LYS 77 Cb 0.00 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2cqa s LYS 77 CO 0.00 0.50 -0.23 0.42 -0.92 0.00 0.00 175.35 175.12 2cqa s ILE 78 N -1.60 2.01 0.18 2.17 1.01 -1.26 -1.44 121.20 122.26 2cqa s ILE 78 Ca 0.29 -0.97 0.11 0.00 0.00 0.00 0.00 60.65 60.07 2cqa s ILE 78 Cb -0.10 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2cqa s ILE 78 CO 0.21 0.55 -0.25 -0.44 0.00 0.00 0.00 174.94 175.01 2cqa s SER 79 N 0.53 3.42 -0.04 3.58 0.01 -1.17 -4.85 113.70 115.19 2cqa s SER 79 Ca -0.14 -0.83 -0.06 0.00 1.31 0.00 0.00 55.95 56.22 2cqa s SER 79 Cb -0.17 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2cqa s SER 79 CO 0.05 0.14 0.22 -0.54 0.41 0.00 0.00 173.24 173.51 2cqa s LYS 80 N -2.51 3.53 -0.01 12.44 1.02 -1.26 -0.14 119.74 132.81 2cqa s LYS 80 Ca 0.19 -0.11 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 2cqa s LYS 80 Cb -0.08 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 2cqa s LYS 80 CO 0.09 0.70 -0.03 1.28 -0.92 0.00 0.00 175.35 176.47 2cqa n LEU 81 N 1.41 0.31 0.00 3.17 4.77 0.69 -4.95 117.00 122.39 2cqa n LEU 81 Ca -0.14 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2cqa n LEU 81 Cb 0.53 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2cqa n LEU 81 CO 0.38 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2cqa n GLY 82 N 2.90 2.26 3.34 -0.72 0.00 -1.04 -4.93 105.19 106.99 2cqa n GLY 82 Ca -0.04 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 2cqa n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cqa s ARG 83 N 0.00 1.42 -0.04 1.61 3.00 -1.26 -2.35 118.95 121.32 2cqa s ARG 83 Ca 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 55.73 53.89 2cqa s ARG 83 Cb 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 34.95 34.48 2cqa s ARG 83 CO 0.00 -0.22 -0.17 -1.13 0.00 0.00 0.00 175.30 173.77 2cqa n SER 84 N -0.48 1.48 -2.69 0.23 3.41 -1.26 -4.86 113.62 109.45 2cqa n SER 84 Ca -0.02 0.23 -0.18 0.00 -0.26 0.00 0.00 58.87 58.64 2cqa n SER 84 Cb 0.66 -0.52 0.05 0.00 -0.26 0.00 0.00 64.21 64.13 2cqa n SER 84 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2cqa n PHE 85 N -3.94 -1.93 -3.91 7.33 7.35 -1.26 -5.00 117.46 116.09 2cqa n PHE 85 Ca -0.08 0.62 -0.30 0.00 -0.76 0.00 0.00 57.45 56.93 2cqa n PHE 85 Cb 0.29 -3.98 -0.16 0.00 0.35 0.00 0.00 39.48 35.98 2cqa n PHE 85 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2cqa s THR 86 N -3.15 1.33 -0.05 -2.13 2.01 -1.26 -5.11 115.64 107.28 2cqa s THR 86 Ca 0.36 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 2cqa s THR 86 Cb -0.16 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.80 2cqa s THR 86 CO 0.44 -0.03 0.12 -0.13 -0.69 0.00 0.00 174.62 174.33 2cqa s ARG 87 N 1.50 0.09 0.68 4.92 1.81 -1.26 -4.87 118.95 121.81 2cqa s ARG 87 Ca -0.03 0.28 -0.11 0.00 -1.72 0.00 0.00 55.73 54.15 2cqa s ARG 87 Cb -0.17 -0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.22 2cqa s ARG 87 CO -0.07 -0.12 1.06 0.00 -0.68 0.00 0.00 175.30 175.49 2cqa s ALA 88 N 0.81 2.98 -0.00 2.13 0.00 -1.26 -4.86 121.76 121.55 2cqa s ALA 88 Ca -0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 2cqa s ALA 88 Cb -0.08 -2.99 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 2cqa s ALA 88 CO -0.04 -1.01 -0.01 0.54 0.00 0.00 0.00 175.76 175.25 2cqa n ARG 89 N -2.91 0.01 -3.64 0.00 3.00 -1.26 -5.07 116.66 106.79 2cqa n ARG 89 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.86 2cqa n ARG 89 Cb 0.57 -0.70 -0.07 0.00 0.00 0.00 0.00 32.46 32.26 2cqa n ARG 89 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2cqa s SER 90 N -4.68 -0.73 0.00 0.55 0.15 -1.26 -5.14 113.70 102.58 2cqa s SER 90 Ca -0.01 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2cqa s SER 90 Cb 0.00 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 2cqa s SER 90 CO 0.01 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2cqa n GLY 91 N 3.99 -2.46 0.26 9.45 0.00 -1.26 -4.61 105.19 110.55 2cqa n GLY 91 Ca -0.19 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 2cqa n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqa h PRO 92 N 0.00 0.93 0.00 1.61 0.13 -2.04 -3.34 132.00 129.28 2cqa h PRO 92 Ca 0.00 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2cqa h PRO 92 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2cqa h PRO 92 CO 0.00 1.14 0.00 0.43 -0.23 0.00 0.00 178.00 179.34 2cqa n SER 93 N -4.08 0.00 -4.80 1.44 7.64 -1.26 -4.55 113.62 108.01 2cqa n SER 93 Ca -0.02 0.88 -0.32 0.00 1.01 0.00 0.00 58.87 60.42 2cqa n SER 93 Cb 0.54 -0.38 0.04 0.00 -1.01 0.00 0.00 64.21 63.40 2cqa n SER 93 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cqa s SER 94 N -2.84 5.36 0.00 6.43 1.04 -1.26 -5.20 113.70 117.24 2cqa s SER 94 Ca 0.00 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.23 2cqa s SER 94 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2cqa s SER 94 CO 0.00 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.37