#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3s n SER 2 N 0.00 0.00 -4.87 -1.84 7.64 -1.26 -5.10 113.62 108.19 2a3s n SER 2 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 2a3s n SER 2 Cb 0.00 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2a3s n SER 2 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2a3s s LYS 3 N -1.86 3.74 0.87 1.43 3.01 -1.26 -4.98 119.74 120.69 2a3s s LYS 3 Ca 0.00 0.63 -0.13 0.00 -1.01 0.00 0.00 55.97 55.46 2a3s s LYS 3 Cb 0.00 -2.23 0.12 0.00 -1.01 0.00 0.00 37.83 34.70 2a3s s LYS 3 CO 0.00 -0.28 1.19 -1.25 0.51 0.00 0.00 175.35 175.52 2a3s s PRO 4 N -4.43 1.47 -0.48 -1.68 0.04 -1.26 -4.92 135.00 123.74 2a3s s PRO 4 Ca 0.54 0.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.60 2a3s s PRO 4 Cb -0.10 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 32.37 2a3s s PRO 4 CO 0.40 -1.93 2.95 -0.35 0.04 0.00 0.00 177.00 178.11 2a3s n PRO 5 N -3.54 2.17 -3.64 0.56 -0.04 -1.26 -4.78 135.00 124.47 2a3s n PRO 5 Ca 0.09 -1.22 -0.14 0.00 -0.04 0.00 0.00 63.50 62.20 2a3s n PRO 5 Cb 0.60 -2.18 -0.13 0.00 -0.04 0.00 0.00 33.50 31.75 2a3s n PRO 5 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2a3s s TYR 6 N 1.79 -0.43 0.88 0.54 2.02 -1.26 -3.56 117.35 117.33 2a3s s TYR 6 Ca 0.57 0.92 -0.11 0.00 -0.37 0.00 0.00 57.07 58.08 2a3s s TYR 6 Cb 0.23 -0.05 0.17 0.00 -0.40 0.00 0.00 41.96 41.90 2a3s s TYR 6 CO -0.02 -0.39 0.38 0.43 -1.57 0.00 0.00 175.55 174.38 2a3s n SER 7 N 5.35 -2.86 -1.87 2.29 7.64 -1.26 -4.55 113.62 118.36 2a3s n SER 7 Ca -0.06 -0.38 -0.14 0.00 1.01 0.00 0.00 58.87 59.30 2a3s n SER 7 Cb 0.50 -0.67 0.17 0.00 -1.01 0.00 0.00 64.21 63.20 2a3s n SER 7 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2a3s n TYR 8 N -4.20 2.21 0.00 1.43 4.02 -1.26 -2.65 117.16 116.71 2a3s n TYR 8 Ca 0.06 -1.34 0.00 0.00 -0.01 0.00 0.00 57.90 56.61 2a3s n TYR 8 Cb 0.26 -0.71 0.00 0.00 -0.02 0.00 0.00 39.34 38.87 2a3s n TYR 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2a3s n ALA 9 N -0.51 3.00 0.09 -0.72 0.00 -1.26 -4.63 120.51 116.47 2a3s n ALA 9 Ca 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.80 2a3s n ALA 9 Cb 1.32 0.09 0.10 0.00 0.00 0.00 0.00 19.45 20.96 2a3s n ALA 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2a3s h GLN 10 N 0.00 0.20 -0.15 0.00 -0.00 -1.89 0.10 115.11 113.37 2a3s h GLN 10 Ca 0.00 -0.15 0.03 0.00 -0.00 0.00 0.00 58.65 58.52 2a3s h GLN 10 Cb 0.18 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.69 2a3s h GLN 10 CO 0.00 0.79 0.11 1.25 -0.00 0.00 0.00 178.83 180.97 2a3s h LEU 11 N 0.14 0.07 0.13 0.06 5.85 -1.74 -1.62 115.31 118.20 2a3s h LEU 11 Ca -0.01 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 2a3s h LEU 11 Cb 1.19 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.21 2a3s h LEU 11 CO 0.10 0.05 -0.98 0.40 -0.34 0.00 0.00 178.44 177.66 2a3s h ILE 12 N 0.08 1.37 -0.57 4.05 1.08 -1.51 -3.10 117.51 118.91 2a3s h ILE 12 Ca 0.07 -2.49 0.12 0.00 -0.39 0.00 0.00 64.86 62.16 2a3s h ILE 12 Cb 0.17 3.05 -0.10 0.00 -3.07 0.00 0.00 36.82 36.87 2a3s h ILE 12 CO -0.01 0.70 -0.01 0.58 -0.69 0.00 0.00 178.15 178.72 2a3s h VAL 13 N -0.38 0.52 -0.03 1.67 2.07 0.07 0.98 116.25 121.16 2a3s h VAL 13 Ca -0.19 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2a3s h VAL 13 Cb 1.66 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2a3s h VAL 13 CO 0.12 0.02 -0.21 -0.61 0.02 0.00 0.00 177.57 176.90 2a3s h GLN 14 N 0.11 0.05 0.01 1.57 4.15 -1.49 2.48 115.11 121.99 2a3s h GLN 14 Ca 0.29 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 2a3s h GLN 14 Cb 0.47 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.15 2a3s h GLN 14 CO -0.50 0.26 -0.01 0.00 -1.93 0.00 0.00 178.83 176.66 2a3s h ALA 15 N 1.74 -0.02 0.06 3.38 0.00 0.83 -2.65 119.26 122.60 2a3s h ALA 15 Ca 0.01 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 2a3s h ALA 15 Cb 0.41 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2a3s h ALA 15 CO 0.03 -0.33 -1.59 -0.84 0.00 0.00 0.00 179.25 176.52 2a3s h ILE 16 N -0.38 1.04 0.00 0.00 3.07 0.03 -3.18 117.51 118.09 2a3s h ILE 16 Ca -0.00 -2.78 0.00 0.00 1.55 0.00 0.00 64.86 63.63 2a3s h ILE 16 Cb 0.37 2.61 0.00 0.00 -0.27 0.00 0.00 36.82 39.53 2a3s h ILE 16 CO 0.00 0.73 0.00 0.28 -1.05 0.00 0.00 178.15 178.11 2a3s h SER 17 N 0.03 0.00 0.00 2.16 0.02 0.42 -1.84 113.55 114.35 2a3s h SER 17 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2a3s h SER 17 Cb 1.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.53 2a3s h SER 17 CO 0.12 0.00 -0.88 -0.24 -1.14 0.00 0.00 176.83 174.69 2a3s n SER 18 N -2.77 0.83 -3.21 3.07 2.88 -1.00 -4.90 113.62 108.52 2a3s n SER 18 Ca -0.01 -0.87 -0.26 0.00 -1.33 0.00 0.00 58.87 56.40 2a3s n SER 18 Cb 0.15 1.04 0.25 0.00 -0.75 0.00 0.00 64.21 64.90 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3s n ALA 19 N -1.45 -4.29 -1.00 -1.46 0.00 -0.69 -4.92 120.51 106.70 2a3s n ALA 19 Ca 0.03 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.16 2a3s n ALA 19 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2a3s n ALA 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2a3s n GLN 20 N -5.15 0.00 -0.00 0.00 7.27 -1.26 -4.45 117.38 113.79 2a3s n GLN 20 Ca 0.12 0.29 -0.00 0.00 0.07 0.00 0.00 57.00 57.48 2a3s n GLN 20 Cb 0.51 -0.91 -0.00 0.00 2.41 0.00 0.00 30.24 32.25 2a3s n GLN 20 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2a3s h ASP 21 N 0.00 0.00 0.00 1.69 1.82 -1.91 -3.48 116.42 114.54 2a3s h ASP 21 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2a3s h ASP 21 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2a3s h ASP 21 CO 0.00 0.02 0.00 -2.11 -1.61 0.00 0.00 179.24 175.54 2a3s n ARG 22 N -2.27 0.00 -3.94 0.28 0.00 -1.26 -4.88 116.66 104.59 2a3s n ARG 22 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 2a3s n ARG 22 Cb 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.36 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2a3s s GLN 23 N 0.00 0.35 0.07 2.89 -2.07 -1.26 -3.00 119.66 116.64 2a3s s GLN 23 Ca 0.00 -0.51 0.01 0.00 -1.82 0.00 0.00 55.36 53.04 2a3s s GLN 23 Cb 0.00 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 2a3s s GLN 23 CO 0.00 -0.07 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.34 2a3s s LEU 24 N -1.35 2.46 0.77 2.60 1.43 0.94 -4.74 118.68 120.79 2a3s s LEU 24 Ca -0.15 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 51.91 2a3s s LEU 24 Cb -0.09 0.03 0.05 0.00 0.03 0.00 0.00 46.19 46.22 2a3s s LEU 24 CO -0.00 -0.48 1.14 0.42 0.23 0.00 0.00 176.35 177.66 2a3s s THR 25 N -3.37 2.63 0.25 5.49 -4.23 -1.26 -0.94 115.64 114.21 2a3s s THR 25 Ca 0.06 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 2a3s s THR 25 Cb 0.04 -3.19 0.23 0.00 1.34 0.00 0.00 72.50 70.92 2a3s s THR 25 CO -0.06 -0.27 1.72 0.25 -0.54 0.00 0.00 174.62 175.72 2a3s h LEU 26 N -0.91 0.24 -3.95 4.79 6.46 -1.90 0.40 115.31 120.45 2a3s h LEU 26 Ca -0.46 0.12 -0.58 0.00 -0.12 0.00 0.00 57.88 56.85 2a3s h LEU 26 Cb 1.30 0.11 -0.29 0.00 -0.73 0.00 0.00 40.66 41.05 2a3s h LEU 26 CO 0.65 0.07 0.75 -1.20 -0.62 0.00 0.00 178.44 178.08 2a3s n SER 27 N -5.03 5.73 -0.13 1.25 7.64 -1.26 -4.39 113.62 117.43 2a3s n SER 27 Ca 0.16 -3.65 -0.27 0.00 1.01 0.00 0.00 58.87 56.12 2a3s n SER 27 Cb 0.46 -0.91 -0.10 0.00 -1.01 0.00 0.00 64.21 62.65 2a3s n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3s n GLY 28 N -0.96 -0.41 0.37 0.23 0.00 0.14 -3.95 105.19 100.61 2a3s n GLY 28 Ca 0.59 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.56 2a3s n GLY 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2a3s h ILE 29 N -0.81 0.92 0.34 -0.61 -0.00 -1.76 0.60 117.51 116.18 2a3s h ILE 29 Ca -0.66 -0.28 -0.02 0.00 -0.00 0.00 0.00 64.86 63.91 2a3s h ILE 29 Cb 1.63 0.04 0.00 0.00 -0.00 0.00 0.00 36.82 38.49 2a3s h ILE 29 CO -0.36 0.15 -0.16 1.88 -0.00 0.00 0.00 178.15 179.65 2a3s h TYR 30 N 0.81 -0.42 0.00 2.19 0.05 -1.83 1.02 116.97 118.79 2a3s h TYR 30 Ca 0.42 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.19 2a3s h TYR 30 Cb 0.51 0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 2a3s h TYR 30 CO -0.00 -0.09 -0.01 0.00 -1.05 0.00 0.00 178.16 177.01 2a3s h ALA 31 N -0.28 1.75 0.10 3.88 0.00 -1.52 0.90 119.26 124.10 2a3s h ALA 31 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2a3s h ALA 31 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2a3s h ALA 31 CO 0.08 0.01 -0.05 1.25 0.00 0.00 0.00 179.25 180.53 2a3s h HIS 32 N 0.00 -0.13 -0.94 0.00 -0.00 0.63 -3.26 115.15 111.45 2a3s h HIS 32 Ca -0.00 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.50 2a3s h HIS 32 Cb 0.01 0.04 -0.09 0.00 -0.00 0.00 0.00 27.41 27.38 2a3s h HIS 32 CO 0.00 0.07 0.56 0.97 -0.00 0.00 0.00 177.93 179.53 2a3s h ILE 33 N -1.02 0.86 0.00 6.26 -0.00 0.13 0.44 117.51 124.18 2a3s h ILE 33 Ca -0.01 -0.30 0.00 0.00 -0.00 0.00 0.00 64.86 64.55 2a3s h ILE 33 Cb 0.25 -0.08 0.00 0.00 -0.00 0.00 0.00 36.82 36.99 2a3s h ILE 33 CO 0.02 0.16 0.09 0.71 -0.00 0.00 0.00 178.15 179.13 2a3s h THR 34 N 0.86 0.00 0.00 2.19 1.35 -0.92 0.56 112.91 116.95 2a3s h THR 34 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.34 2a3s h THR 34 Cb 0.55 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2a3s h THR 34 CO -0.29 0.00 -0.41 1.17 -0.25 0.00 0.00 175.52 175.74 2a3s n LYS 35 N -2.81 0.17 -0.00 4.72 4.81 0.15 -4.51 118.16 120.70 2a3s n LYS 35 Ca -0.02 0.07 -0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2a3s n LYS 35 Cb 0.15 -1.63 -0.00 0.00 0.02 0.00 0.00 35.03 33.57 2a3s n LYS 35 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2a3s n HIS 36 N -1.88 0.00 -2.72 5.64 8.25 0.18 -4.98 115.22 119.71 2a3s n HIS 36 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 2a3s n HIS 36 Cb 0.40 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.46 2a3s n HIS 36 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2a3s s TYR 37 N -1.00 3.85 0.14 4.41 2.02 -0.40 -4.95 117.35 121.43 2a3s s TYR 37 Ca -0.00 1.82 0.06 0.00 -0.37 0.00 0.00 57.07 58.59 2a3s s TYR 37 Cb 0.00 -3.05 -0.11 0.00 -0.40 0.00 0.00 41.96 38.40 2a3s s TYR 37 CO 0.00 0.24 1.33 -1.00 -1.57 0.00 0.00 175.55 174.55 2a3s h PRO 38 N 5.17 0.04 -0.58 -1.71 0.13 -1.86 -3.28 132.00 129.91 2a3s h PRO 38 Ca -0.44 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 2a3s h PRO 38 Cb 1.21 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2a3s h PRO 38 CO 0.71 0.95 0.08 -0.92 -0.23 0.00 0.00 178.00 178.59 2a3s h TYR 39 N 0.02 1.00 -1.82 1.56 3.20 -1.94 -3.37 116.97 115.63 2a3s h TYR 39 Ca -0.02 -0.13 -0.58 0.00 3.14 0.00 0.00 58.73 61.14 2a3s h TYR 39 Cb 1.66 -0.28 -0.10 0.00 1.54 0.00 0.00 36.73 39.55 2a3s h TYR 39 CO 0.01 0.86 1.21 0.71 -1.64 0.00 0.00 178.16 179.31 2a3s s TYR 40 N -5.13 2.48 0.18 -3.82 2.02 -1.24 -4.53 117.35 107.31 2a3s s TYR 40 Ca -0.11 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.06 2a3s s TYR 40 Cb 0.15 -4.61 0.00 0.00 -0.40 0.00 0.00 41.96 37.09 2a3s s TYR 40 CO 0.83 -1.95 0.00 0.54 -1.57 0.00 0.00 175.55 173.40 2a3s n ARG 41 N 8.85 0.00 -2.40 -0.62 1.74 -1.26 -3.86 116.66 119.11 2a3s n ARG 41 Ca 0.17 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.26 2a3s n ARG 41 Cb 0.50 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.98 2a3s n ARG 41 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2a3s n THR 42 N -2.99 0.92 0.00 0.55 -2.24 -1.26 -5.06 114.28 104.21 2a3s n THR 42 Ca 0.00 -2.38 0.00 0.00 -2.27 0.00 0.00 64.05 59.40 2a3s n THR 42 Cb 0.00 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a3s n ALA 43 N -0.28 0.00 -1.90 6.98 0.00 -1.26 -5.01 120.51 119.04 2a3s n ALA 43 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 2a3s n ALA 43 Cb 0.91 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.45 2a3s n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a3s s ASP 44 N -1.35 4.54 -0.30 0.00 1.11 -1.26 -4.93 116.67 114.48 2a3s s ASP 44 Ca 0.00 0.78 -0.01 0.00 0.18 0.00 0.00 52.55 53.50 2a3s s ASP 44 Cb 0.00 -1.28 0.22 0.00 1.07 0.00 0.00 42.92 42.93 2a3s s ASP 44 CO 0.00 -1.88 1.95 0.29 1.18 0.00 0.00 175.17 176.71 2a3s n LYS 45 N -3.29 1.76 0.00 8.23 5.02 -1.26 -4.57 118.16 124.04 2a3s n LYS 45 Ca 0.08 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.85 2a3s n LYS 45 Cb 0.61 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3s n GLY 46 N 0.30 -0.78 0.11 0.72 0.00 -1.26 -3.48 105.19 100.81 2a3s n GLY 46 Ca 0.29 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.38 2a3s n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2a3s n TRP 47 N -1.32 0.47 0.20 1.61 4.27 -1.26 -2.40 117.44 119.01 2a3s n TRP 47 Ca 0.00 0.25 -0.11 0.00 -3.89 0.00 0.00 57.50 53.75 2a3s n TRP 47 Cb 0.00 -0.85 -0.06 0.00 -1.36 0.00 0.00 31.31 29.04 2a3s n TRP 47 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 2a3s h GLN 48 N 0.00 -0.60 -0.09 -2.67 5.75 -1.84 0.17 115.11 115.83 2a3s h GLN 48 Ca 0.00 0.04 -0.16 0.00 -0.15 0.00 0.00 58.65 58.38 2a3s h GLN 48 Cb 0.11 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 2a3s h GLN 48 CO 0.00 -0.40 -0.65 -0.97 -2.65 0.00 0.00 178.83 174.16 2a3s h ASN 49 N -0.62 0.40 0.15 -0.69 -1.24 -1.61 -3.25 115.58 108.71 2a3s h ASN 49 Ca -0.05 -0.24 0.01 0.00 0.71 0.00 0.00 56.30 56.74 2a3s h ASN 49 Cb 0.53 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.43 2a3s h ASN 49 CO -0.00 0.94 -0.26 0.28 -1.29 0.00 0.00 177.43 177.10 2a3s h SER 50 N 0.25 -0.72 -0.05 1.15 0.02 -1.32 -1.88 113.55 110.99 2a3s h SER 50 Ca -0.01 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2a3s h SER 50 Cb 1.19 0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.94 2a3s h SER 50 CO 0.11 -0.35 -0.45 0.40 -1.14 0.00 0.00 176.83 175.39 2a3s h ILE 51 N -0.49 0.11 -0.90 3.27 1.08 -0.70 2.07 117.51 121.94 2a3s h ILE 51 Ca 0.02 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.72 2a3s h ILE 51 Cb 0.49 0.11 -0.13 0.00 -3.07 0.00 0.00 36.82 34.22 2a3s h ILE 51 CO -0.12 0.00 0.40 -0.09 -0.69 0.00 0.00 178.15 177.64 2a3s h ARG 52 N -0.57 0.38 0.00 2.37 2.43 -1.55 0.97 114.38 118.40 2a3s h ARG 52 Ca 0.05 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 2a3s h ARG 52 Cb 0.66 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 2a3s h ARG 52 CO -0.36 0.25 -0.71 1.25 -1.51 0.00 0.00 179.97 178.89 2a3s h HIS 53 N 0.39 0.00 -0.23 2.20 2.76 -0.05 -3.29 115.15 116.93 2a3s h HIS 53 Ca 0.57 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.54 2a3s h HIS 53 Cb 1.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2a3s h HIS 53 CO -0.14 0.71 -0.64 -0.91 -1.30 0.00 0.00 177.93 175.65 2a3s h ASN 54 N 0.00 0.94 0.00 3.26 2.35 1.08 -3.02 115.58 120.19 2a3s h ASN 54 Ca -0.01 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 2a3s h ASN 54 Cb 1.36 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2a3s h ASN 54 CO 0.09 1.34 0.07 -0.07 -1.65 0.00 0.00 177.43 177.22 2a3s h LEU 55 N 0.61 0.00 0.00 1.61 -0.00 -0.78 -0.74 115.31 116.00 2a3s h LEU 55 Ca -0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.63 2a3s h LEU 55 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.87 2a3s h LEU 55 CO 0.14 0.00 -1.60 -0.24 -0.00 0.00 0.00 178.44 176.74 2a3s n SER 56 N -2.90 0.83 0.05 -0.43 2.88 -1.15 -3.88 113.62 109.02 2a3s n SER 56 Ca -0.03 0.38 -0.02 0.00 -1.33 0.00 0.00 58.87 57.87 2a3s n SER 56 Cb 0.13 0.09 -0.01 0.00 -0.75 0.00 0.00 64.21 63.67 2a3s n SER 56 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2a3s h LEU 57 N 0.00 -0.14 -9.54 2.46 3.38 -1.09 -3.45 115.31 106.94 2a3s h LEU 57 Ca -0.24 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.17 2a3s h LEU 57 Cb 1.82 0.04 0.18 0.00 0.09 0.00 0.00 40.66 42.79 2a3s h LEU 57 CO 0.06 0.06 -0.51 0.59 0.09 0.00 0.00 178.44 178.73 2a3s n ASN 58 N -3.30 -1.52 0.06 -0.43 3.02 -1.06 -4.88 115.26 107.15 2a3s n ASN 58 Ca -0.02 0.62 0.12 0.00 -0.03 0.00 0.00 54.58 55.27 2a3s n ASN 58 Cb 0.06 -1.16 0.10 0.00 -0.61 0.00 0.00 39.78 38.18 2a3s n ASN 58 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2a3s n ARG 59 N -0.24 0.35 -0.72 3.52 -4.01 -1.26 -3.81 116.66 110.49 2a3s n ARG 59 Ca 0.10 0.07 -0.12 0.00 -1.04 0.00 0.00 57.85 56.86 2a3s n ARG 59 Cb 0.49 -1.69 0.13 0.00 -3.04 0.00 0.00 32.46 28.35 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 -3.04 0.00 0.00 177.63 177.07 2a3s n TYR 60 N -2.18 1.79 -3.81 2.89 4.11 -1.26 -4.69 117.16 114.02 2a3s n TYR 60 Ca 0.02 -1.19 -0.13 0.00 -0.00 0.00 0.00 57.90 56.60 2a3s n TYR 60 Cb 0.46 -0.63 -0.13 0.00 -0.00 0.00 0.00 39.34 39.04 2a3s n TYR 60 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2a3s s PHE 61 N -2.03 -0.15 0.10 -3.48 0.08 -1.25 -1.31 117.98 109.94 2a3s s PHE 61 Ca 0.35 0.39 -0.08 0.00 0.12 0.00 0.00 56.93 57.71 2a3s s PHE 61 Cb 0.29 0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.75 2a3s s PHE 61 CO 0.07 -0.09 0.19 0.96 -0.10 0.00 0.00 175.22 176.25 2a3s s ILE 62 N 0.35 0.14 0.18 0.64 -4.36 0.28 -4.67 121.20 113.76 2a3s s ILE 62 Ca -0.02 -1.25 0.07 0.00 -0.26 0.00 0.00 60.65 59.18 2a3s s ILE 62 Cb -0.04 -1.42 -0.04 0.00 1.25 0.00 0.00 42.46 42.21 2a3s s ILE 62 CO -0.01 -0.62 0.06 -0.54 0.24 0.00 0.00 174.94 174.06 2a3s s LYS 63 N -3.88 2.59 -0.11 0.37 1.02 -1.26 -0.73 119.74 117.74 2a3s s LYS 63 Ca 0.07 -1.04 -0.12 0.00 0.02 0.00 0.00 55.97 54.89 2a3s s LYS 63 Cb 0.05 -2.46 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2a3s s LYS 63 CO -0.09 0.46 0.34 0.08 -0.92 0.00 0.00 175.35 175.21 2a3s s VAL 64 N -1.79 0.01 0.00 3.17 1.01 -0.76 -4.87 120.40 117.17 2a3s s VAL 64 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2a3s s VAL 64 Cb -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2a3s s VAL 64 CO 0.21 -0.05 0.04 -0.81 0.00 0.00 0.00 175.10 174.48 2a3s n PRO 65 N 2.60 0.00 -4.07 2.72 -0.04 -1.26 -2.28 135.00 132.67 2a3s n PRO 65 Ca -0.15 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 2a3s n PRO 65 Cb 0.57 -0.42 -0.06 0.00 -0.04 0.00 0.00 33.50 33.55 2a3s n PRO 65 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2a3s s ARG 66 N -0.07 1.52 0.01 0.54 1.81 -1.26 -4.07 118.95 117.43 2a3s s ARG 66 Ca 0.00 -1.45 0.00 0.00 -1.72 0.00 0.00 55.73 52.56 2a3s s ARG 66 Cb 0.00 0.41 0.00 0.00 -0.45 0.00 0.00 34.95 34.91 2a3s s ARG 66 CO 0.00 -0.60 0.00 -1.13 -0.68 0.00 0.00 175.30 172.89 2a3s n SER 67 N -0.54 -0.10 -3.38 0.23 3.41 -1.26 -5.06 113.62 106.93 2a3s n SER 67 Ca -0.00 0.03 -0.26 0.00 -0.26 0.00 0.00 58.87 58.38 2a3s n SER 67 Cb 0.63 0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 2a3s n SER 67 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2a3s s GLN 68 N -1.03 0.81 0.19 4.33 0.74 -1.26 -4.96 119.66 118.47 2a3s s GLN 68 Ca 0.00 -1.80 0.00 0.00 0.05 0.00 0.00 55.36 53.61 2a3s s GLN 68 Cb 0.00 -1.28 0.00 0.00 1.10 0.00 0.00 33.01 32.83 2a3s s GLN 68 CO 0.00 -1.33 0.00 0.39 -0.55 0.00 0.00 175.29 173.80 2a3s n GLU 69 N 3.22 0.00 -3.96 1.67 1.02 -1.26 -5.15 120.64 116.18 2a3s n GLU 69 Ca 0.24 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.29 2a3s n GLU 69 Cb 0.45 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.78 2a3s n GLU 69 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2a3s s GLU 70 N -1.54 0.59 -1.31 3.49 -1.05 -1.26 -5.07 118.70 112.55 2a3s s GLU 70 Ca 0.00 -0.86 -0.17 0.00 -0.15 0.00 0.00 54.97 53.79 2a3s s GLU 70 Cb 0.00 0.22 0.03 0.00 -0.44 0.00 0.00 34.13 33.94 2a3s s GLU 70 CO 0.00 -0.14 1.94 -0.35 0.95 0.00 0.00 175.26 177.66 2a3s n PRO 71 N 0.63 2.82 0.00 -4.83 -0.04 -1.26 -4.66 135.00 127.67 2a3s n PRO 71 Ca -0.18 -2.87 0.00 0.00 -0.04 0.00 0.00 63.50 60.41 2a3s n PRO 71 Cb 0.59 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 2a3s n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a3s n GLY 72 N 4.92 0.65 3.41 0.55 0.00 -1.26 -5.18 105.19 108.28 2a3s n GLY 72 Ca 0.50 0.43 -0.11 0.00 0.00 0.00 0.00 46.02 46.83 2a3s n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2a3s s LYS 73 N 3.25 1.25 0.00 1.61 2.20 -1.26 -5.05 119.74 121.74 2a3s s LYS 73 Ca 0.00 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2a3s s LYS 73 Cb 0.00 0.56 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 2a3s s LYS 73 CO 0.00 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 2a3s n GLY 74 N -0.35 1.96 2.97 5.54 0.00 -1.26 -5.11 105.19 108.94 2a3s n GLY 74 Ca -0.16 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 2a3s n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a3s s SER 75 N 2.00 0.13 -0.30 1.61 0.15 -1.26 -4.80 113.70 111.24 2a3s s SER 75 Ca 0.00 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.22 2a3s s SER 75 Cb 0.00 0.10 0.18 0.00 -1.71 0.00 0.00 66.02 64.58 2a3s s SER 75 CO 0.00 -0.22 1.08 0.12 1.20 0.00 0.00 173.24 175.42 2a3s s PHE 76 N -0.99 -0.45 0.24 3.44 2.19 -0.96 -4.72 117.98 116.73 2a3s s PHE 76 Ca -0.11 0.43 0.07 0.00 0.33 0.00 0.00 56.93 57.65 2a3s s PHE 76 Cb -0.07 0.14 -0.04 0.00 -1.31 0.00 0.00 43.02 41.75 2a3s s PHE 76 CO -0.00 -0.25 0.16 1.67 1.83 0.00 0.00 175.22 178.63 2a3s s TRP 77 N 2.96 3.07 0.14 10.12 1.48 -0.12 -1.82 118.94 134.76 2a3s s TRP 77 Ca 0.03 -0.11 0.00 0.00 -1.06 0.00 0.00 56.10 54.96 2a3s s TRP 77 Cb -0.08 -1.39 -0.00 0.00 -1.16 0.00 0.00 33.47 30.83 2a3s s TRP 77 CO -0.12 0.53 0.18 2.89 -4.06 0.00 0.00 176.95 176.36 2a3s n ARG 78 N -1.02 0.26 -3.56 3.25 1.85 0.09 -0.04 116.66 117.49 2a3s n ARG 78 Ca -0.08 -1.17 -0.20 0.00 -1.00 0.00 0.00 57.85 55.41 2a3s n ARG 78 Cb 0.58 1.08 -0.02 0.00 -1.05 0.00 0.00 32.46 33.05 2a3s n ARG 78 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2a3s s ILE 79 N -2.57 3.55 0.29 8.89 2.07 -1.16 -0.55 121.20 131.71 2a3s s ILE 79 Ca 0.13 -1.19 -0.29 0.00 -1.41 0.00 0.00 60.65 57.89 2a3s s ILE 79 Cb -0.00 -3.22 -0.10 0.00 0.13 0.00 0.00 42.46 39.27 2a3s s ILE 79 CO 0.09 -0.12 1.29 -0.62 -1.91 0.00 0.00 174.94 173.66 2a3s s ASP 80 N -4.12 6.86 0.14 4.50 2.15 -0.42 -4.73 116.67 121.04 2a3s s ASP 80 Ca 0.45 2.57 0.04 0.00 0.43 0.00 0.00 52.55 56.04 2a3s s ASP 80 Cb -0.07 -2.64 -0.12 0.00 -0.30 0.00 0.00 42.92 39.79 2a3s s ASP 80 CO 0.29 -0.49 1.31 1.55 -0.17 0.00 0.00 175.17 177.66 2a3s h PRO 81 N 3.99 0.10 -0.01 4.34 0.13 -1.96 -2.50 132.00 136.09 2a3s h PRO 81 Ca -0.47 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2a3s h PRO 81 Cb 1.22 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2a3s h PRO 81 CO 0.69 0.99 -0.02 0.00 -0.23 0.00 0.00 178.00 179.44 2a3s n ALA 82 N -2.42 2.62 0.12 -0.56 0.00 -1.26 -3.51 120.51 115.50 2a3s n ALA 82 Ca -0.03 -0.43 0.01 0.00 0.00 0.00 0.00 53.44 53.00 2a3s n ALA 82 Cb 0.89 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2a3s n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2a3s n SER 83 N 0.03 0.75 0.09 0.00 7.64 -1.22 -4.55 113.62 116.37 2a3s n SER 83 Ca 0.19 -0.88 0.07 0.00 1.01 0.00 0.00 58.87 59.26 2a3s n SER 83 Cb 0.34 0.43 0.36 0.00 -1.01 0.00 0.00 64.21 64.33 2a3s n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a3s n GLU 84 N -0.37 0.09 -0.02 1.43 0.00 -0.94 0.34 120.64 121.17 2a3s n GLU 84 Ca 0.01 0.53 -0.20 0.00 0.00 0.00 0.00 57.16 57.50 2a3s n GLU 84 Cb 0.06 -1.75 -0.14 0.00 0.00 0.00 0.00 31.44 29.61 2a3s n GLU 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2a3s n ALA 85 N -1.66 1.04 -0.05 4.31 0.00 -1.26 -3.73 120.51 119.16 2a3s n ALA 85 Ca -0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.63 2a3s n ALA 85 Cb 0.06 -0.57 -0.15 0.00 0.00 0.00 0.00 19.45 18.79 2a3s n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2a3s n LYS 86 N -3.39 0.66 0.00 0.00 5.02 -0.56 -4.00 118.16 115.88 2a3s n LYS 86 Ca -0.33 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.27 2a3s n LYS 86 Cb 1.04 -1.69 0.56 0.00 -0.02 0.00 0.00 35.03 34.92 2a3s n LYS 86 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2a3s n LEU 87 N -2.96 0.00 0.02 -0.35 -0.00 1.04 -2.88 117.00 111.87 2a3s n LEU 87 Ca -0.23 0.46 -0.05 0.00 -0.00 0.00 0.00 56.01 56.19 2a3s n LEU 87 Cb 1.09 -0.46 -0.11 0.00 -0.00 0.00 0.00 43.42 43.94 2a3s n LEU 87 CO 0.44 -0.06 -0.25 -0.37 -0.00 0.00 0.00 177.39 177.15 2a3s h VAL 88 N 0.00 0.90 -0.65 1.47 -1.51 -1.66 -3.30 116.25 111.51 2a3s h VAL 88 Ca 0.00 -2.58 0.09 0.00 -1.23 0.00 0.00 66.70 62.98 2a3s h VAL 88 Cb 0.40 2.38 -0.07 0.00 -2.13 0.00 0.00 31.29 31.87 2a3s h VAL 88 CO 0.00 0.51 0.29 -0.08 -1.23 0.00 0.00 177.57 177.06 2a3s h GLU 89 N 0.00 0.49 0.00 5.19 4.57 -1.67 0.69 114.58 123.85 2a3s h GLU 89 Ca -0.18 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 2a3s h GLU 89 Cb 1.79 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.27 2a3s h GLU 89 CO 0.08 0.32 -0.18 0.37 -1.18 0.00 0.00 179.01 178.42 2a3s h GLN 90 N 0.50 0.00 0.62 1.92 4.15 -1.73 -2.00 115.11 118.57 2a3s h GLN 90 Ca 0.33 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.72 2a3s h GLN 90 Cb 0.37 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2a3s h GLN 90 CO -0.28 0.18 -0.47 0.00 -1.93 0.00 0.00 178.83 176.33 2a3s h ALA 91 N 1.82 -1.12 0.00 3.38 0.00 0.32 -2.51 119.26 121.15 2a3s h ALA 91 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2a3s h ALA 91 Cb 0.60 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2a3s h ALA 91 CO 0.02 -1.16 0.00 1.19 0.00 0.00 0.00 179.25 179.31 2a3s n PHE 92 N -5.57 0.53 -3.39 0.00 3.72 -1.01 -4.76 117.46 106.98 2a3s n PHE 92 Ca -0.13 0.16 -0.38 0.00 -0.05 0.00 0.00 57.45 57.05 2a3s n PHE 92 Cb 0.46 -0.76 -0.06 0.00 -0.94 0.00 0.00 39.48 38.18 2a3s n PHE 92 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2a3s s ARG 93 N -3.07 4.15 0.00 -1.08 3.52 -0.76 -5.07 118.95 116.64 2a3s s ARG 93 Ca 0.12 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 2a3s s ARG 93 Cb 0.15 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 2a3s s ARG 93 CO 0.55 0.45 0.00 1.63 -0.81 0.00 0.00 175.30 177.12 2a3s n LYS 94 N 2.63 -0.62 -2.62 5.12 5.02 -1.26 -4.78 118.16 121.64 2a3s n LYS 94 Ca -0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.77 2a3s n LYS 94 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 2a3s n LYS 94 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2a3s s ARG 95 N -1.98 3.53 0.01 1.97 0.52 -1.23 -4.95 118.95 116.82 2a3s s ARG 95 Ca 0.00 -1.11 0.02 0.00 -0.52 0.00 0.00 55.73 54.12 2a3s s ARG 95 Cb 0.00 -5.13 -0.01 0.00 0.52 0.00 0.00 34.95 30.33 2a3s s ARG 95 CO 0.00 -2.13 -0.07 1.03 0.02 0.00 0.00 175.30 174.16 2a3s s ARG 96 N 4.69 0.50 -0.24 3.54 0.52 -1.26 -5.10 118.95 121.59 2a3s s ARG 96 Ca 0.42 -0.36 -0.04 0.00 -0.52 0.00 0.00 55.73 55.22 2a3s s ARG 96 Cb -0.02 -0.43 0.00 0.00 0.52 0.00 0.00 34.95 35.02 2a3s s ARG 96 CO -0.07 0.11 -0.01 -0.65 0.02 0.00 0.00 175.30 174.70 2a3s s GLN 97 N -0.53 3.24 -0.65 3.54 1.11 -1.26 -4.99 119.66 120.12 2a3s s GLN 97 Ca -0.01 -0.73 0.01 0.00 0.01 0.00 0.00 55.36 54.65 2a3s s GLN 97 Cb -0.04 -3.10 0.39 0.00 -1.01 0.00 0.00 33.01 29.24 2a3s s GLN 97 CO -0.00 -0.29 1.62 -2.13 0.01 0.00 0.00 175.29 174.50 2a3s n ARG 98 N 4.80 3.06 -3.41 2.91 0.63 -1.26 -4.92 116.66 118.47 2a3s n ARG 98 Ca -0.17 -3.93 0.03 0.00 -0.92 0.00 0.00 57.85 52.85 2a3s n ARG 98 Cb 0.50 -2.26 -0.05 0.00 0.45 0.00 0.00 32.46 31.09 2a3s n ARG 98 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2a3s s GLY 99 N -2.24 0.34 -0.80 5.14 0.00 -1.26 -5.09 107.32 103.41 2a3s s GLY 99 Ca 0.51 3.63 -0.22 0.00 0.00 0.00 0.00 44.72 48.64 2a3s s GLY 99 CO -0.28 3.09 1.12 0.14 0.00 0.00 0.00 173.10 177.17 2a3s s VAL 100 N 1.67 4.32 -2.73 1.40 1.01 -1.26 -5.27 120.40 119.54 2a3s s VAL 100 Ca -0.04 -0.71 0.26 0.00 0.00 0.00 0.00 61.98 61.49 2a3s s VAL 100 Cb -0.02 -4.79 0.38 0.00 0.00 0.00 0.00 36.38 31.95 2a3s s VAL 100 CO -0.14 -1.59 1.52 -1.20 0.00 0.00 0.00 175.10 173.69