#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqa n SER 2 N 0.00 0.63 -4.57 1.61 7.64 -1.26 -4.79 113.62 112.88 2cqa n SER 2 Ca 0.00 0.55 -0.41 0.00 1.01 0.00 0.00 58.87 60.02 2cqa n SER 2 Cb 0.00 -0.87 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 2cqa n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cqa s SER 3 N 6.41 6.01 0.02 6.43 0.01 -1.26 -4.92 113.70 126.40 2cqa s SER 3 Ca 1.19 0.11 -0.06 0.00 1.31 0.00 0.00 55.95 58.50 2cqa s SER 3 Cb -1.39 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 62.26 2cqa s SER 3 CO 0.60 -1.84 1.10 1.23 0.41 0.00 0.00 173.24 174.74 2cqa h GLY 4 N 13.58 -1.48 -7.37 3.44 0.00 -2.09 -3.36 103.07 105.79 2cqa h GLY 4 Ca -0.27 0.68 -0.69 0.00 0.00 0.00 0.00 47.33 47.04 2cqa h GLY 4 CO 1.21 -0.52 -0.20 -0.45 0.00 0.00 0.00 176.54 176.58 2cqa s SER 5 N -3.00 6.20 -0.17 0.19 0.15 -1.26 -5.05 113.70 110.75 2cqa s SER 5 Ca -0.03 -0.66 -0.08 0.00 0.70 0.00 0.00 55.95 55.88 2cqa s SER 5 Cb 0.01 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2cqa s SER 5 CO 0.12 -0.59 0.09 -0.55 1.20 0.00 0.00 173.24 173.51 2cqa s SER 6 N 1.82 5.93 0.00 5.45 0.15 -1.26 -5.08 113.70 120.71 2cqa s SER 6 Ca 0.12 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2cqa s SER 6 Cb -0.17 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2cqa s SER 6 CO 0.14 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2cqa n GLY 7 N 3.22 -1.94 3.41 9.45 0.00 -1.26 -4.96 105.19 113.12 2cqa n GLY 7 Ca -0.17 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2cqa n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqa s LYS 8 N 0.00 2.04 -0.72 1.61 1.02 -1.26 -5.08 119.74 117.35 2cqa s LYS 8 Ca 0.00 -0.98 -0.23 0.00 0.02 0.00 0.00 55.97 54.78 2cqa s LYS 8 Cb 0.00 -2.13 0.07 0.00 -0.52 0.00 0.00 37.83 35.25 2cqa s LYS 8 CO 0.00 0.54 1.05 -2.00 -0.92 0.00 0.00 175.35 174.03 2cqa s GLU 9 N -1.20 3.20 -0.05 1.68 -6.30 -1.26 -4.99 118.70 109.78 2cqa s GLU 9 Ca 0.13 -0.86 0.01 0.00 -2.50 0.00 0.00 54.97 51.75 2cqa s GLU 9 Cb -0.10 -4.35 0.02 0.00 0.00 0.00 0.00 34.13 29.70 2cqa s GLU 9 CO 0.03 -1.88 -0.06 -2.00 0.02 0.00 0.00 175.26 171.37 2cqa s GLU 10 N 4.21 0.98 0.18 4.30 2.56 -1.26 -5.15 118.70 124.53 2cqa s GLU 10 Ca 0.26 -0.15 0.06 0.00 0.00 0.00 0.00 54.97 55.15 2cqa s GLU 10 Cb -0.13 -0.96 -0.04 0.00 2.00 0.00 0.00 34.13 34.99 2cqa s GLU 10 CO 0.08 -0.09 0.12 0.99 -0.56 0.00 0.00 175.26 175.81 2cqa s THR 11 N 0.97 4.34 -0.19 -1.70 2.01 -1.26 -5.01 115.64 114.81 2cqa s THR 11 Ca -0.10 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 60.69 2cqa s THR 11 Cb -0.14 -3.24 0.18 0.00 0.01 0.00 0.00 72.50 69.31 2cqa s THR 11 CO 0.00 -0.16 1.73 -0.62 -0.69 0.00 0.00 174.62 174.88 2cqa n GLU 12 N -0.47 1.50 -3.84 4.92 4.71 -1.26 -4.82 120.64 121.39 2cqa n GLU 12 Ca -0.08 -1.06 -0.12 0.00 -0.01 0.00 0.00 57.16 55.89 2cqa n GLU 12 Cb 0.55 -1.41 -0.11 0.00 -1.01 0.00 0.00 31.44 29.46 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 -1.40 0.04 -0.08 -3.67 1.01 -1.26 -0.86 121.20 114.98 2cqa s ILE 13 Ca 0.21 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 2cqa s ILE 13 Cb 0.17 -0.34 0.04 0.00 0.01 0.00 0.00 42.46 42.34 2cqa s ILE 13 CO 0.01 -0.17 0.17 -0.63 0.00 0.00 0.00 174.94 174.32 2cqa s ILE 14 N -0.58 -0.08 -0.08 2.92 1.01 -0.92 -4.96 121.20 118.52 2cqa s ILE 14 Ca -0.07 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2cqa s ILE 14 Cb -0.04 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 2cqa s ILE 14 CO 0.01 0.08 -0.07 -0.70 0.00 0.00 0.00 174.94 174.26 2cqa s GLU 15 N 1.35 2.87 0.16 2.79 -6.30 -1.26 -1.04 118.70 117.26 2cqa s GLU 15 Ca -0.08 -0.55 -0.18 0.00 -2.50 0.00 0.00 54.97 51.66 2cqa s GLU 15 Cb -0.11 -2.62 0.04 0.00 0.00 0.00 0.00 34.13 31.43 2cqa s GLU 15 CO -0.07 0.60 0.49 0.20 0.02 0.00 0.00 175.26 176.50 2cqa s GLY 16 N -0.63 -0.25 -0.56 -1.50 0.00 -0.96 -4.90 107.32 98.53 2cqa s GLY 16 Ca 0.09 -0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.51 2cqa s GLY 16 CO 0.02 -0.21 1.10 1.85 0.00 0.00 0.00 173.10 175.86 2cqa s GLU 17 N -3.83 3.48 -0.49 2.90 2.12 -1.19 -2.41 118.70 119.30 2cqa s GLU 17 Ca 0.05 0.13 -0.37 0.00 0.36 0.00 0.00 54.97 55.15 2cqa s GLU 17 Cb 0.00 -4.01 -0.15 0.00 0.26 0.00 0.00 34.13 30.23 2cqa s GLU 17 CO -0.08 -1.58 2.25 0.28 -0.54 0.00 0.00 175.26 175.60 2cqa n VAL 18 N 6.55 0.09 -0.10 3.70 0.31 -1.12 -2.53 118.33 125.22 2cqa n VAL 18 Ca 0.07 -0.18 -0.19 0.00 -0.01 0.00 0.00 64.34 64.03 2cqa n VAL 18 Cb 0.49 -1.20 -0.08 0.00 -0.91 0.00 0.00 33.84 32.13 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 7.06 1.51 -3.92 2.52 0.31 0.60 -1.67 118.33 124.74 2cqa n VAL 19 Ca 0.49 -0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 64.67 2cqa n VAL 19 Cb 0.14 -2.11 -0.11 0.00 -0.91 0.00 0.00 33.84 30.85 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 -2.43 0.31 -0.24 5.55 2.12 -1.14 -4.68 118.70 118.18 2cqa s GLU 20 Ca -0.28 -0.40 -0.02 0.00 0.36 0.00 0.00 54.97 54.62 2cqa s GLU 20 Cb 0.07 0.12 0.08 0.00 0.26 0.00 0.00 34.13 34.66 2cqa s GLU 20 CO 0.47 -0.06 0.06 0.42 -0.54 0.00 0.00 175.26 175.62 2cqa s ILE 21 N -1.12 0.60 -0.09 -3.70 1.01 -1.26 -1.29 121.20 115.36 2cqa s ILE 21 Ca -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 2cqa s ILE 21 Cb -0.07 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2cqa s ILE 21 CO -0.00 -0.42 0.07 -1.58 0.00 0.00 0.00 174.94 173.01 2cqa s GLN 22 N 1.79 3.17 -0.22 2.79 0.74 0.14 -5.01 119.66 123.07 2cqa s GLN 22 Ca 0.03 -0.31 -0.01 0.00 0.05 0.00 0.00 55.36 55.13 2cqa s GLN 22 Cb -0.17 -2.96 0.06 0.00 1.10 0.00 0.00 33.01 31.04 2cqa s GLN 22 CO -0.17 0.73 -0.01 0.42 -0.55 0.00 0.00 175.29 175.70 2cqa s ILE 23 N -0.99 1.11 -0.45 -2.34 -1.09 -1.26 -0.99 121.20 115.20 2cqa s ILE 23 Ca 0.15 -0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 57.33 2cqa s ILE 23 Cb -0.12 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.28 2cqa s ILE 23 CO 0.05 -0.16 1.53 -1.81 -1.23 0.00 0.00 174.94 173.32 2cqa s ASP 24 N 1.58 6.10 0.29 3.58 1.11 -0.99 -4.99 116.67 123.36 2cqa s ASP 24 Ca -0.04 0.75 -0.25 0.00 0.18 0.00 0.00 52.55 53.20 2cqa s ASP 24 Cb -0.18 -2.54 -0.09 0.00 1.07 0.00 0.00 42.92 41.18 2cqa s ASP 24 CO -0.07 -1.64 0.89 -0.13 1.18 0.00 0.00 175.17 175.40 2cqa s ARG 25 N 5.40 4.52 -0.08 8.23 0.52 -1.26 -4.38 118.95 131.90 2cqa s ARG 25 Ca 0.63 1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 56.78 2cqa s ARG 25 Cb -0.15 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 2cqa s ARG 25 CO 0.30 0.32 1.51 -1.25 0.02 0.00 0.00 175.30 176.20 2cqa s PRO 26 N -1.98 4.21 -0.24 3.54 0.04 -1.26 -4.91 135.00 134.39 2cqa s PRO 26 Ca 0.48 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 63.37 2cqa s PRO 26 Cb -0.19 -3.88 -0.11 0.00 0.04 0.00 0.00 34.50 30.37 2cqa s PRO 26 CO 0.23 -0.78 -0.30 0.00 0.04 0.00 0.00 177.00 176.20 2cqa n ALA 27 N 6.81 1.04 -2.81 8.56 0.00 -1.26 -5.04 120.51 127.81 2cqa n ALA 27 Ca 0.16 -0.95 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 2cqa n ALA 27 Cb 0.43 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.59 0.13 0.58 0.00 2.01 -1.26 -5.11 115.64 109.39 2cqa s THR 28 Ca -0.34 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.60 2cqa s THR 28 Cb 0.11 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 72.02 2cqa s THR 28 CO 0.47 -0.58 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 2cqa n GLY 29 N 1.20 -4.01 3.88 4.40 0.00 -1.26 -4.93 105.19 104.46 2cqa n GLY 29 Ca -0.21 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2cqa n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cqa s THR 30 N -5.33 5.28 0.00 2.61 -1.32 -1.26 -5.02 115.64 110.61 2cqa s THR 30 Ca 0.00 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2cqa s THR 30 Cb 0.00 -3.45 0.00 0.00 -1.51 0.00 0.00 72.50 67.54 2cqa s THR 30 CO 0.00 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 173.36 2cqa n GLY 31 N 1.02 0.81 2.98 6.08 0.00 -1.26 -5.15 105.19 109.67 2cqa n GLY 31 Ca -0.11 0.32 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 1.89 0.35 0.22 1.61 0.01 -1.26 -5.13 113.70 111.40 2cqa s SER 32 Ca 0.00 0.54 -0.29 0.00 1.31 0.00 0.00 55.95 57.51 2cqa s SER 32 Cb 0.00 0.59 -0.16 0.00 0.21 0.00 0.00 66.02 66.67 2cqa s SER 32 CO 0.00 -0.23 0.82 0.29 0.41 0.00 0.00 173.24 174.53 2cqa n LYS 33 N 5.22 0.67 -4.06 12.44 5.02 -1.26 -4.98 118.16 131.21 2cqa n LYS 33 Ca -0.08 0.24 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 2cqa n LYS 33 Cb 0.50 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 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 -0.86 0.37 0.24 -0.18 -7.23 -1.25 -3.90 120.40 107.58 2cqa s VAL 34 Ca 0.64 -1.35 -0.22 0.00 -1.81 0.00 0.00 61.98 59.25 2cqa s VAL 34 Cb -0.85 -0.90 0.03 0.00 0.56 0.00 0.00 36.38 35.22 2cqa s VAL 34 CO 0.57 -0.64 0.73 -0.83 -0.31 0.00 0.00 175.10 174.62 2cqa s GLY 35 N -2.11 -0.19 0.03 2.32 0.00 -1.20 -2.35 107.32 103.82 2cqa s GLY 35 Ca -0.04 -0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.61 2cqa s GLY 35 CO -0.03 -0.03 -0.14 0.54 0.00 0.00 0.00 173.10 173.43 2cqa s LYS 36 N -3.81 0.96 0.00 2.90 -0.14 -0.16 -2.31 119.74 117.19 2cqa s LYS 36 Ca 0.10 -0.72 0.01 0.00 -1.36 0.00 0.00 55.97 54.00 2cqa s LYS 36 Cb -0.05 -0.97 -0.00 0.00 -1.68 0.00 0.00 37.83 35.13 2cqa s LYS 36 CO 0.03 0.24 -0.02 -1.17 -0.76 0.00 0.00 175.35 173.67 2cqa s LEU 37 N -1.01 2.04 -0.08 3.17 2.96 -1.23 -0.68 118.68 123.85 2cqa s LEU 37 Ca 0.02 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 2cqa s LEU 37 Cb -0.07 -0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.54 2cqa s LEU 37 CO 0.01 -0.02 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.92 2cqa s THR 38 N -0.26 1.77 -0.06 3.68 2.01 -0.41 -1.46 115.64 120.91 2cqa s THR 38 Ca -0.02 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.14 2cqa s THR 38 Cb -0.02 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.96 2cqa s THR 38 CO -0.00 0.50 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.59 2cqa s LEU 39 N 0.36 1.41 -0.34 4.42 1.02 -1.15 -0.29 118.68 124.11 2cqa s LEU 39 Ca -0.16 -0.21 -0.21 0.00 0.02 0.00 0.00 54.13 53.57 2cqa s LEU 39 Cb -0.17 -0.64 0.00 0.00 0.02 0.00 0.00 46.19 45.40 2cqa s LEU 39 CO 0.07 -0.03 0.69 -0.75 0.02 0.00 0.00 176.35 176.34 2cqa s LYS 40 N 0.94 3.76 0.69 1.70 2.20 -1.05 -1.50 119.74 126.49 2cqa s LYS 40 Ca -0.10 0.21 -0.06 0.00 -0.36 0.00 0.00 55.97 55.66 2cqa s LYS 40 Cb -0.15 -3.79 0.06 0.00 -1.51 0.00 0.00 37.83 32.44 2cqa s LYS 40 CO 0.01 -0.73 1.00 0.95 -0.36 0.00 0.00 175.35 176.22 2cqa s THR 41 N 2.81 2.35 0.66 3.43 -4.23 0.17 -3.16 115.64 117.68 2cqa s THR 41 Ca 0.27 -0.27 0.11 0.00 -1.18 0.00 0.00 61.69 60.63 2cqa s THR 41 Cb -0.14 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.79 2cqa s THR 41 CO 0.15 -0.03 1.32 0.00 -0.54 0.00 0.00 174.62 175.52 2cqa h THR 42 N -0.56 0.01 0.00 3.99 1.03 -1.97 -3.20 112.91 112.22 2cqa h THR 42 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 2cqa h THR 42 Cb 1.31 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 2cqa h THR 42 CO 0.60 0.00 0.00 -0.62 -0.01 0.00 0.00 175.52 175.49 2cqa n GLU 43 N -2.68 0.00 -4.57 0.00 1.02 -1.26 -5.13 120.64 108.02 2cqa n GLU 43 Ca 0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.88 2cqa n GLU 43 Cb 0.82 -0.05 -0.08 0.00 -0.02 0.00 0.00 31.44 32.11 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 -0.31 1.97 0.33 3.49 0.23 -1.21 -5.12 119.30 118.67 2cqa s MET 44 Ca 0.00 -2.20 0.05 0.00 -1.03 0.00 0.00 55.69 52.50 2cqa s MET 44 Cb 0.00 -0.87 -0.02 0.00 -1.53 0.00 0.00 34.83 32.42 2cqa s MET 44 CO 0.00 -0.42 0.47 -1.83 -2.03 0.00 0.00 175.02 171.22 2cqa s GLU 45 N -3.76 3.23 -0.14 3.16 -1.05 -1.26 0.47 118.70 119.34 2cqa s GLU 45 Ca 0.21 -0.82 -0.12 0.00 -0.15 0.00 0.00 54.97 54.09 2cqa s GLU 45 Cb 0.03 -2.79 0.04 0.00 -0.44 0.00 0.00 34.13 30.97 2cqa s GLU 45 CO 0.12 0.12 0.37 0.99 0.95 0.00 0.00 175.26 177.82 2cqa s THR 46 N -2.19 -0.00 0.22 1.83 2.01 -0.56 -4.90 115.64 112.04 2cqa s THR 46 Ca 0.42 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.18 2cqa s THR 46 Cb -0.09 -0.53 -0.09 0.00 0.01 0.00 0.00 72.50 71.80 2cqa s THR 46 CO 0.32 0.01 0.83 -0.63 -0.69 0.00 0.00 174.62 174.45 2cqa s ILE 47 N 0.37 4.32 -0.20 1.82 1.01 -1.26 -2.93 121.20 124.32 2cqa s ILE 47 Ca -0.01 1.73 0.01 0.00 0.00 0.00 0.00 60.65 62.38 2cqa s ILE 47 Cb -0.04 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.36 2cqa s ILE 47 CO -0.01 0.40 -0.16 -0.31 0.00 0.00 0.00 174.94 174.85 2cqa s TYR 48 N -1.30 2.85 -0.13 3.97 2.02 -0.54 -5.00 117.35 119.22 2cqa s TYR 48 Ca 0.41 -1.81 -0.29 0.00 -0.37 0.00 0.00 57.07 55.01 2cqa s TYR 48 Cb -0.22 -1.88 -0.06 0.00 -0.40 0.00 0.00 41.96 39.40 2cqa s TYR 48 CO 0.26 -0.82 2.00 0.16 -1.57 0.00 0.00 175.55 175.59 2cqa s ASP 49 N 1.26 6.00 0.09 2.29 -4.77 -1.26 -3.48 116.67 116.79 2cqa s ASP 49 Ca 0.01 2.11 -0.03 0.00 -3.30 0.00 0.00 52.55 51.33 2cqa s ASP 49 Cb -0.15 -2.52 -0.05 0.00 -1.09 0.00 0.00 42.92 39.11 2cqa s ASP 49 CO -0.10 -1.50 0.29 -0.76 0.70 0.00 0.00 175.17 173.80 2cqa s LEU 50 N 6.31 4.32 0.00 2.11 1.43 -0.98 -5.04 118.68 126.83 2cqa s LEU 50 Ca 0.90 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 2cqa s LEU 50 Cb -0.35 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 42.80 2cqa s LEU 50 CO 0.36 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.68 2cqa n GLY 51 N 0.31 1.26 0.57 -3.19 0.00 -1.26 -3.27 105.19 99.60 2cqa n GLY 51 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 1.04 -0.32 2.61 -1.04 -1.25 -3.92 114.28 111.40 2cqa n THR 52 Ca 0.00 0.01 -0.02 0.00 -2.04 0.00 0.00 64.05 62.00 2cqa n THR 52 Cb 0.00 -1.82 0.13 0.00 -1.82 0.00 0.00 70.33 66.82 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 -0.50 1.21 -0.28 -2.82 6.56 -1.94 -2.10 116.57 116.71 2cqa h LYS 53 Ca -0.20 -0.11 0.06 0.00 -1.06 0.00 0.00 60.65 59.34 2cqa h LYS 53 Cb 0.95 -0.25 -0.05 0.00 -0.57 0.00 0.00 32.23 32.31 2cqa h LYS 53 CO -0.12 0.85 -0.07 0.52 -2.06 0.00 0.00 179.45 178.57 2cqa h MET 54 N 1.23 -0.00 -0.44 3.15 2.86 -1.84 -2.37 114.93 117.52 2cqa h MET 54 Ca 0.32 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.93 2cqa h MET 54 Cb -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2cqa h MET 54 CO -0.06 -0.00 0.17 0.82 1.06 0.00 0.00 176.91 178.90 2cqa h ILE 55 N -0.00 1.20 -0.94 -1.22 2.04 -1.71 -2.40 117.51 114.48 2cqa h ILE 55 Ca 0.13 -0.64 0.27 0.00 1.00 0.00 0.00 64.86 65.63 2cqa h ILE 55 Cb 0.20 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2cqa h ILE 55 CO -0.28 0.23 0.98 -0.33 0.00 0.00 0.00 178.15 178.75 2cqa h GLU 56 N 0.57 0.00 0.14 2.37 5.08 -0.84 0.65 114.58 122.55 2cqa h GLU 56 Ca 0.15 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.17 2cqa h GLU 56 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2cqa h GLU 56 CO -0.01 0.00 -1.75 1.03 -1.00 0.00 0.00 179.01 177.27 2cqa h SER 57 N 0.00 0.45 0.45 1.42 0.87 -1.34 -3.11 113.55 112.28 2cqa h SER 57 Ca 0.45 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2cqa h SER 57 Cb 2.40 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 64.22 2cqa h SER 57 CO -0.00 1.77 0.00 0.18 -0.53 0.00 0.00 176.83 178.24 2cqa n LEU 58 N -3.67 0.62 -0.06 2.23 4.77 0.21 -1.71 117.00 119.38 2cqa n LEU 58 Ca -0.28 0.70 -0.22 0.00 -0.03 0.00 0.00 56.01 56.18 2cqa n LEU 58 Cb 1.00 -0.67 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 2cqa n LEU 58 CO 0.44 -0.71 -0.82 0.35 -1.33 0.00 0.00 177.39 175.32 2cqa n THR 59 N -2.23 1.64 -0.16 -5.08 -2.24 -0.16 -1.56 114.28 104.49 2cqa n THR 59 Ca 0.01 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 2cqa n THR 59 Cb 0.15 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 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 -0.46 0.71 -0.43 -0.78 3.11 -1.43 -2.41 116.57 114.89 2cqa h LYS 60 Ca -0.44 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.25 2cqa h LYS 60 Cb 1.70 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.83 2cqa h LYS 60 CO -0.10 0.68 0.00 -0.25 -2.81 0.00 0.00 179.45 176.97 2cqa n ASP 61 N -4.54 2.37 -4.01 4.20 8.00 -0.70 -4.93 116.55 116.93 2cqa n ASP 61 Ca 0.01 -1.98 -0.28 0.00 0.71 0.00 0.00 54.79 53.25 2cqa n ASP 61 Cb 0.19 -0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.79 -0.86 -1.87 -1.24 4.01 -0.91 -4.81 118.16 113.27 2cqa n LYS 62 Ca 0.15 0.06 -0.39 0.00 -0.51 0.00 0.00 58.31 57.62 2cqa n LYS 62 Cb 0.38 -2.81 0.02 0.00 -0.51 0.00 0.00 35.03 32.11 2cqa n LYS 62 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2cqa s VAL 63 N -4.10 2.25 0.35 -0.18 1.01 -0.60 -5.01 120.40 114.12 2cqa s VAL 63 Ca 0.06 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 2cqa s VAL 63 Cb -0.03 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2cqa s VAL 63 CO 0.83 0.02 0.52 0.00 0.00 0.00 0.00 175.10 176.47 2cqa n GLN 64 N -0.35 0.75 -2.16 2.72 6.02 -1.26 -4.96 117.38 118.15 2cqa n GLN 64 Ca 0.06 -2.68 -0.41 0.00 -0.01 0.00 0.00 57.00 53.96 2cqa n GLN 64 Cb 0.43 2.67 -0.02 0.00 1.02 0.00 0.00 30.24 34.33 2cqa n GLN 64 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2cqa s ALA 65 N -2.67 3.50 0.00 -1.58 0.00 -1.26 -3.36 121.76 116.40 2cqa s ALA 65 Ca 0.27 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2cqa s ALA 65 Cb -0.01 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2cqa s ALA 65 CO 0.19 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2cqa n GLY 66 N 1.16 1.48 3.74 0.00 0.00 -0.67 -5.03 105.19 105.88 2cqa n GLY 66 Ca 0.01 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.30 6.34 -0.39 1.61 1.01 -1.21 -4.86 116.67 118.87 2cqa s ASP 67 Ca 0.00 0.39 -0.29 0.00 0.71 0.00 0.00 52.55 53.36 2cqa s ASP 67 Cb 0.00 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.82 2cqa s ASP 67 CO 0.00 0.16 1.11 -0.69 0.21 0.00 0.00 175.17 175.96 2cqa s VAL 68 N 0.28 4.36 0.29 -1.27 1.01 -1.25 -2.81 120.40 121.01 2cqa s VAL 68 Ca 0.13 1.50 0.09 0.00 0.00 0.00 0.00 61.98 63.69 2cqa s VAL 68 Cb -0.12 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 2cqa s VAL 68 CO 0.02 -0.73 0.08 0.27 0.00 0.00 0.00 175.10 174.74 2cqa s ILE 69 N 4.03 3.54 0.41 2.22 -5.25 -1.01 -0.29 121.20 124.84 2cqa s ILE 69 Ca 0.47 -1.74 0.07 0.00 -0.99 0.00 0.00 60.65 58.46 2cqa s ILE 69 Cb -0.10 -3.00 -0.05 0.00 2.95 0.00 0.00 42.46 42.26 2cqa s ILE 69 CO 0.23 -0.31 0.20 0.42 -1.79 0.00 0.00 174.94 173.69 2cqa s THR 70 N -2.31 2.43 -0.20 8.37 -4.23 0.77 -2.26 115.64 118.21 2cqa s THR 70 Ca 0.34 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 2cqa s THR 70 Cb -0.06 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.86 2cqa s THR 70 CO 0.22 -0.02 0.09 -0.63 -0.54 0.00 0.00 174.62 173.74 2cqa s ILE 71 N -2.56 -0.00 -0.45 2.99 1.01 -0.21 -3.19 121.20 118.78 2cqa s ILE 71 Ca 0.42 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 2cqa s ILE 71 Cb 0.02 -0.73 0.04 0.00 0.01 0.00 0.00 42.46 41.81 2cqa s ILE 71 CO 0.23 -0.38 0.46 -0.62 0.00 0.00 0.00 174.94 174.64 2cqa s ASP 72 N 2.09 6.19 0.20 3.58 -1.08 -0.51 -2.16 116.67 124.98 2cqa s ASP 72 Ca 0.03 -0.89 -0.08 0.00 -0.52 0.00 0.00 52.55 51.09 2cqa s ASP 72 Cb -0.16 -2.23 0.12 0.00 -1.46 0.00 0.00 42.92 39.19 2cqa s ASP 72 CO -0.15 -0.66 1.70 0.11 0.52 0.00 0.00 175.17 176.69 2cqa h LYS 73 N 8.79 1.12 -0.81 4.34 6.56 -1.31 1.34 116.57 136.60 2cqa h LYS 73 Ca -0.27 -0.29 0.08 0.00 -1.06 0.00 0.00 60.65 59.10 2cqa h LYS 73 Cb 1.11 -0.13 -0.10 0.00 -0.57 0.00 0.00 32.23 32.53 2cqa h LYS 73 CO 0.85 1.01 -0.47 0.00 -2.06 0.00 0.00 179.45 178.78 2cqa n ALA 74 N -2.47 -0.49 0.05 3.86 0.00 -1.26 -2.17 120.51 118.04 2cqa n ALA 74 Ca 0.05 0.69 0.08 0.00 0.00 0.00 0.00 53.44 54.26 2cqa n ALA 74 Cb 0.29 -0.13 -0.12 0.00 0.00 0.00 0.00 19.45 19.49 2cqa n ALA 74 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2cqa n THR 75 N -5.02 0.00 -1.63 0.00 5.66 -1.21 -5.01 114.28 107.07 2cqa n THR 75 Ca 0.02 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 2cqa n THR 75 Cb 0.22 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 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 1.60 0.59 3.94 1.09 0.00 0.46 -5.03 105.19 107.82 2cqa n GLY 76 Ca -0.02 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.38 3.44 -0.18 1.61 -0.14 -0.94 -4.03 119.74 116.11 2cqa s LYS 77 Ca 0.00 -0.55 0.01 0.00 -1.36 0.00 0.00 55.97 54.07 2cqa s LYS 77 Cb 0.00 -2.99 0.03 0.00 -1.68 0.00 0.00 37.83 33.19 2cqa s LYS 77 CO 0.00 0.55 -0.14 0.42 -0.76 0.00 0.00 175.35 175.42 2cqa s ILE 78 N -1.67 1.77 0.14 2.17 1.01 -1.26 -1.42 121.20 121.94 2cqa s ILE 78 Ca 0.35 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 60.11 2cqa s ILE 78 Cb -0.12 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2cqa s ILE 78 CO 0.28 0.33 0.09 -0.44 0.00 0.00 0.00 174.94 175.20 2cqa s SER 79 N 1.37 5.37 -0.12 3.58 0.01 -1.19 -4.77 113.70 117.95 2cqa s SER 79 Ca 0.01 -0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 2cqa s SER 79 Cb -0.15 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 2cqa s SER 79 CO -0.10 0.11 0.08 -0.75 0.41 0.00 0.00 173.24 172.99 2cqa s LYS 80 N -2.83 3.34 0.27 12.44 2.20 -1.26 -0.16 119.74 133.73 2cqa s LYS 80 Ca 0.30 -0.26 0.12 0.00 -0.36 0.00 0.00 55.97 55.76 2cqa s LYS 80 Cb -0.11 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 2cqa s LYS 80 CO 0.22 0.68 -0.20 -0.51 -0.36 0.00 0.00 175.35 175.18 2cqa s LEU 81 N -0.79 2.59 0.00 5.43 1.43 0.60 -4.97 118.68 122.97 2cqa s LEU 81 Ca 0.13 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 2cqa s LEU 81 Cb -0.12 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.97 2cqa s LEU 81 CO 0.03 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.27 2cqa n GLY 82 N -0.50 -3.08 3.32 -3.19 0.00 -1.26 -3.78 105.19 96.70 2cqa n GLY 82 Ca -0.06 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 3.15 -1.18 1.61 1.81 -1.26 -3.95 118.95 119.12 2cqa s ARG 83 Ca 0.00 -0.80 -0.15 0.00 -1.72 0.00 0.00 55.73 53.06 2cqa s ARG 83 Cb 0.00 -3.23 0.15 0.00 -0.45 0.00 0.00 34.95 31.42 2cqa s ARG 83 CO 0.00 -0.36 1.44 0.45 -0.68 0.00 0.00 175.30 176.15 2cqa s SER 84 N 1.47 6.96 -0.15 0.23 0.15 -1.26 -4.91 113.70 116.19 2cqa s SER 84 Ca 0.03 -2.74 -0.04 0.00 0.70 0.00 0.00 55.95 53.89 2cqa s SER 84 Cb -0.16 -2.43 0.06 0.00 -1.71 0.00 0.00 66.02 61.78 2cqa s SER 84 CO 0.00 -0.88 0.12 0.72 1.20 0.00 0.00 173.24 174.41 2cqa s PHE 85 N 2.24 0.03 0.11 3.44 -0.71 -1.26 -5.10 117.98 116.74 2cqa s PHE 85 Ca 0.43 -0.04 0.02 0.00 -1.04 0.00 0.00 56.93 56.31 2cqa s PHE 85 Cb -0.02 -0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 2cqa s PHE 85 CO -0.00 -0.47 0.20 -0.08 -1.34 0.00 0.00 175.22 173.53 2cqa s THR 86 N 2.20 5.04 -0.43 -4.49 -1.32 -1.26 -5.08 115.64 110.30 2cqa s THR 86 Ca 0.04 -0.69 -0.09 0.00 -1.21 0.00 0.00 61.69 59.73 2cqa s THR 86 Cb -0.15 -3.53 0.09 0.00 -1.51 0.00 0.00 72.50 67.40 2cqa s THR 86 CO -0.09 0.01 0.28 0.00 -2.21 0.00 0.00 174.62 172.61 2cqa s ARG 87 N -2.86 2.57 -0.30 7.08 1.70 -1.26 -5.01 118.95 120.87 2cqa s ARG 87 Ca 0.33 -1.53 -0.15 0.00 -0.47 0.00 0.00 55.73 53.91 2cqa s ARG 87 Cb -0.12 -3.82 0.17 0.00 -0.57 0.00 0.00 34.95 30.61 2cqa s ARG 87 CO 0.26 -1.01 0.99 0.00 -1.08 0.00 0.00 175.30 174.46 2cqa s ALA 88 N 1.41 -2.74 0.68 7.88 0.00 -1.26 -5.17 121.76 122.56 2cqa s ALA 88 Ca 0.04 2.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.88 2cqa s ALA 88 Cb -0.24 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 20.81 2cqa s ALA 88 CO 0.01 -0.98 1.09 1.03 0.00 0.00 0.00 175.76 176.91 2cqa s ARG 89 N 2.46 2.82 0.05 0.00 1.81 -1.26 -5.07 118.95 119.75 2cqa s ARG 89 Ca -0.02 1.23 -0.01 0.00 -1.72 0.00 0.00 55.73 55.20 2cqa s ARG 89 Cb -0.06 -1.96 -0.03 0.00 -0.45 0.00 0.00 34.95 32.44 2cqa s ARG 89 CO -0.17 -1.22 -0.02 0.45 -0.68 0.00 0.00 175.30 173.66 2cqa s SER 90 N -3.00 0.43 0.00 0.23 0.15 -1.26 -5.04 113.70 105.21 2cqa s SER 90 Ca 0.63 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2cqa s SER 90 Cb -0.18 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2cqa s SER 90 CO 0.46 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2cqa n GLY 91 N 0.34 -0.38 3.55 9.45 0.00 -1.26 -5.08 105.19 111.81 2cqa n GLY 91 Ca -0.16 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.62 -0.99 1.61 0.04 -1.26 -4.92 135.00 132.10 2cqa s PRO 92 Ca 0.00 0.57 -0.22 0.00 0.04 0.00 0.00 61.00 61.39 2cqa s PRO 92 Cb 0.00 -4.42 0.07 0.00 0.04 0.00 0.00 34.50 30.19 2cqa s PRO 92 CO 0.00 -2.77 1.35 -1.12 0.04 0.00 0.00 177.00 174.50 2cqa s SER 93 N 8.12 6.53 -0.64 6.66 0.01 -1.26 -4.94 113.70 128.18 2cqa s SER 93 Ca 0.67 -1.61 -0.38 0.00 1.31 0.00 0.00 55.95 55.95 2cqa s SER 93 Cb -0.12 -2.52 -0.18 0.00 0.21 0.00 0.00 66.02 63.41 2cqa s SER 93 CO 0.20 -1.38 2.34 -0.24 0.41 0.00 0.00 173.24 174.57 2cqa n SER 94 N 8.21 0.89 0.00 2.44 2.88 -1.26 -5.33 113.62 121.45 2cqa n SER 94 Ca 0.30 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 2cqa n SER 94 Cb 0.50 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2cqa n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42