#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1x s LYS 2 N 0.00 2.38 -0.06 1.64 2.47 -1.26 -1.59 119.74 123.32 1x1x s LYS 2 Ca 0.00 -0.86 0.01 0.00 -1.56 0.00 0.00 55.97 53.56 1x1x s LYS 2 Cb 0.00 -2.17 0.02 0.00 -1.46 0.00 0.00 37.83 34.22 1x1x s LYS 2 CO 0.00 0.50 -0.08 0.00 0.16 0.00 0.00 175.35 175.94 1x1x s ALA 3 N -0.46 0.95 -0.06 3.13 0.00 -0.01 -4.84 121.76 120.47 1x1x s ALA 3 Ca 0.05 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1x1x s ALA 3 Cb -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1x1x s ALA 3 CO 0.01 0.01 -0.22 0.08 0.00 0.00 0.00 175.76 175.64 1x1x s VAL 4 N 0.87 2.31 -0.13 0.00 1.01 -1.26 -0.72 120.40 122.48 1x1x s VAL 4 Ca -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1x1x s VAL 4 Cb -0.15 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1x1x s VAL 4 CO 0.01 0.57 -0.13 -0.63 0.00 0.00 0.00 175.10 174.92 1x1x s ILE 5 N -0.28 1.45 -0.62 2.22 1.01 -0.46 -4.93 121.20 119.59 1x1x s ILE 5 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 1x1x s ILE 5 Cb -0.13 -1.36 0.13 0.00 0.01 0.00 0.00 42.46 41.10 1x1x s ILE 5 CO 0.03 0.44 0.68 0.20 0.00 0.00 0.00 174.94 176.29 1x1x s ASN 6 N 1.33 6.28 0.28 3.58 -0.87 -1.26 -1.14 114.94 123.14 1x1x s ASN 6 Ca 0.01 -1.71 0.02 0.00 -1.57 0.00 0.00 52.86 49.61 1x1x s ASN 6 Cb -0.14 -2.27 0.65 0.00 -0.02 0.00 0.00 41.25 39.47 1x1x s ASN 6 CO -0.07 -0.99 1.75 1.23 -2.57 0.00 0.00 177.10 176.45 1x1x h GLY 7 N 9.47 1.55 2.00 0.66 0.00 -0.52 -1.12 103.07 115.10 1x1x h GLY 7 Ca -0.22 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1x1x h GLY 7 CO 1.05 -0.12 0.00 -1.84 0.00 0.00 0.00 176.54 175.63 1x1x n GLU 8 N -4.89 0.06 0.00 4.80 0.00 -1.26 -1.41 120.64 117.93 1x1x n GLU 8 Ca 0.20 0.44 0.11 0.00 0.00 0.00 0.00 57.16 57.91 1x1x n GLU 8 Cb 0.54 -1.64 -0.03 0.00 0.00 0.00 0.00 31.44 30.31 1x1x n GLU 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1x1x n GLN 9 N -1.75 0.01 -2.53 3.44 6.02 -0.43 -4.86 117.38 117.28 1x1x n GLN 9 Ca 0.01 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 1x1x n GLN 9 Cb 0.09 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.83 1x1x n GLN 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1x1x s ILE 10 N -3.01 4.23 -0.37 5.09 -1.09 -0.50 -4.85 121.20 120.70 1x1x s ILE 10 Ca 0.08 1.33 0.19 0.00 -2.23 0.00 0.00 60.65 60.03 1x1x s ILE 10 Cb 0.16 -4.39 -0.26 0.00 -1.58 0.00 0.00 42.46 36.39 1x1x s ILE 10 CO 0.83 -0.71 0.56 0.54 -1.23 0.00 0.00 174.94 174.93 1x1x n ARG 11 N 7.49 0.73 -3.74 2.79 5.12 -1.26 -4.65 116.66 123.14 1x1x n ARG 11 Ca 0.13 -0.10 -0.10 0.00 -1.93 0.00 0.00 57.85 55.85 1x1x n ARG 11 Cb 0.48 -1.41 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 1x1x n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1x1x s SER 12 N -3.59 -0.22 0.49 0.55 1.04 -1.20 -4.62 113.70 106.16 1x1x s SER 12 Ca -0.01 -0.49 0.18 0.00 0.48 0.00 0.00 55.95 56.11 1x1x s SER 12 Cb 0.13 0.54 1.21 0.00 0.10 0.00 0.00 66.02 68.00 1x1x s SER 12 CO 0.77 -0.99 2.07 -0.29 0.98 0.00 0.00 173.24 175.78 1x1x h ILE 13 N 2.27 0.97 -0.50 -1.02 6.09 -1.86 -0.13 117.51 123.34 1x1x h ILE 13 Ca -0.30 -0.40 -0.09 0.00 -1.37 0.00 0.00 64.86 62.70 1x1x h ILE 13 Cb 1.26 1.22 -0.02 0.00 0.47 0.00 0.00 36.82 39.75 1x1x h ILE 13 CO 0.41 0.11 -0.03 -1.28 -3.07 0.00 0.00 178.15 174.28 1x1x h SER 14 N 0.00 0.89 -0.64 2.19 0.87 -1.95 -2.14 113.55 112.76 1x1x h SER 14 Ca -0.00 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 1x1x h SER 14 Cb 0.21 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 1x1x h SER 14 CO 0.01 1.00 0.42 0.44 -0.53 0.00 0.00 176.83 178.17 1x1x h ASP 15 N 0.76 0.73 -0.34 6.23 3.45 -1.44 -2.31 116.42 123.50 1x1x h ASP 15 Ca 0.14 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1x1x h ASP 15 Cb 0.56 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 1x1x h ASP 15 CO 0.03 0.53 0.21 0.25 -1.57 0.00 0.00 179.24 178.69 1x1x h LEU 16 N 0.86 0.40 -0.79 1.55 5.85 -1.04 -0.57 115.31 121.58 1x1x h LEU 16 Ca 0.24 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 1x1x h LEU 16 Cb -0.10 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1x1x h LEU 16 CO -0.05 0.32 -0.21 0.45 -0.34 0.00 0.00 178.44 178.60 1x1x h HIS 17 N 0.45 0.76 -0.04 1.25 3.86 -1.24 -1.50 115.15 118.70 1x1x h HIS 17 Ca 0.12 -0.16 -0.14 0.00 -1.16 0.00 0.00 60.37 59.03 1x1x h HIS 17 Cb -0.02 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1x1x h HIS 17 CO -0.04 0.83 -0.64 1.96 0.86 0.00 0.00 177.93 180.90 1x1x h GLN 18 N 0.60 0.14 -0.37 2.45 4.20 -1.25 0.36 115.11 121.23 1x1x h GLN 18 Ca 0.09 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1x1x h GLN 18 Cb 0.69 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1x1x h GLN 18 CO 0.05 0.73 -0.28 1.15 -0.67 0.00 0.00 178.83 179.81 1x1x h THR 19 N 0.10 1.28 -0.59 -0.54 2.02 -0.89 -2.64 112.91 111.65 1x1x h THR 19 Ca -0.01 -1.44 -0.10 0.00 0.77 0.00 0.00 66.41 65.63 1x1x h THR 19 Cb 1.14 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 1x1x h THR 19 CO 0.09 0.48 -0.02 -0.07 0.37 0.00 0.00 175.52 176.38 1x1x h LEU 20 N 0.65 1.03 -0.44 2.58 3.38 -1.06 0.06 115.31 121.50 1x1x h LEU 20 Ca 0.07 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1x1x h LEU 20 Cb 0.86 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 1x1x h LEU 20 CO 0.07 1.08 0.01 0.50 0.09 0.00 0.00 178.44 180.20 1x1x h LYS 21 N 0.95 0.11 0.21 1.13 3.64 -0.78 0.11 116.57 121.95 1x1x h LYS 21 Ca 0.17 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1x1x h LYS 21 Cb 0.57 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1x1x h LYS 21 CO 0.03 0.08 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.97 1x1x h LYS 22 N 0.12 -0.28 0.00 1.90 1.63 -1.22 -0.49 116.57 118.23 1x1x h LYS 22 Ca 0.22 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1x1x h LYS 22 Cb 0.32 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1x1x h LYS 22 CO -0.36 0.10 -0.05 0.93 -3.45 0.00 0.00 179.45 176.62 1x1x h GLU 23 N -0.74 0.00 -0.12 1.90 4.39 -0.79 -2.76 114.58 116.46 1x1x h GLU 23 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1x1x h GLU 23 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1x1x h GLU 23 CO 0.05 0.05 0.00 1.28 -1.16 0.00 0.00 179.01 179.23 1x1x n LEU 24 N -4.10 2.55 -3.58 1.33 4.77 0.37 -4.43 117.00 113.91 1x1x n LEU 24 Ca -0.03 -1.21 -0.21 0.00 -0.03 0.00 0.00 56.01 54.54 1x1x n LEU 24 Cb 0.13 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1x1x n LEU 24 CO 0.31 0.50 0.10 0.00 -1.33 0.00 0.00 177.39 176.97 1x1x n ALA 25 N 0.92 -1.79 -1.59 -1.18 0.00 -0.90 -4.79 120.51 111.18 1x1x n ALA 25 Ca 0.11 0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 1x1x n ALA 25 Cb 0.42 -3.20 0.03 0.00 0.00 0.00 0.00 19.45 16.70 1x1x n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1x s LEU 26 N -6.74 3.42 0.71 0.00 1.43 -0.24 -4.97 118.68 112.30 1x1x s LEU 26 Ca 0.20 1.88 -0.16 0.00 -1.03 0.00 0.00 54.13 55.01 1x1x s LEU 26 Cb -0.09 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.60 1x1x s LEU 26 CO 0.76 -1.38 1.05 -0.81 0.23 0.00 0.00 176.35 176.19 1x1x n PRO 27 N -2.28 0.58 0.28 1.29 -0.04 -1.26 -4.87 135.00 128.70 1x1x n PRO 27 Ca 0.09 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 1x1x n PRO 27 Cb 0.53 -2.30 0.82 0.00 -0.04 0.00 0.00 33.50 32.50 1x1x n PRO 27 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1x1x h GLU 28 N -0.17 0.00 -0.00 0.54 -0.00 -1.98 -0.92 114.58 112.04 1x1x h GLU 28 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 1x1x h GLU 28 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.08 1x1x h GLU 28 CO 0.48 0.00 -0.02 2.48 -0.00 0.00 0.00 179.01 181.94 1x1x n TYR 29 N -4.09 0.00 -1.06 2.06 4.11 -1.26 -4.95 117.16 111.97 1x1x n TYR 29 Ca -0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.46 1x1x n TYR 29 Cb 0.10 -0.07 -0.06 0.00 -0.00 0.00 0.00 39.34 39.32 1x1x n TYR 29 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 1x1x n TYR 30 N -0.78 1.01 0.35 -3.48 9.36 -0.35 -4.79 117.16 118.48 1x1x n TYR 30 Ca 0.20 0.70 0.09 0.00 3.32 0.00 0.00 57.90 62.21 1x1x n TYR 30 Cb 0.21 -1.36 0.39 0.00 -0.63 0.00 0.00 39.34 37.95 1x1x n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x1x n GLY 31 N 2.30 -1.04 3.72 2.98 0.00 -1.26 -4.91 105.19 106.98 1x1x n GLY 31 Ca 0.18 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1x1x n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x1x n GLU 32 N -1.92 -4.26 -4.00 1.61 1.02 -1.26 -4.96 120.64 106.86 1x1x n GLU 32 Ca 0.02 0.58 -0.10 0.00 -0.02 0.00 0.00 57.16 57.64 1x1x n GLU 32 Cb 0.16 -5.02 -0.05 0.00 -0.02 0.00 0.00 31.44 26.51 1x1x n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x1x s ASN 33 N -4.26 0.04 0.27 1.62 2.20 -1.26 -5.01 114.94 108.54 1x1x s ASN 33 Ca 0.06 -1.01 -0.03 0.00 -0.94 0.00 0.00 52.86 50.94 1x1x s ASN 33 Cb -0.02 0.61 0.36 0.00 -2.00 0.00 0.00 41.25 40.21 1x1x s ASN 33 CO 0.82 -1.20 1.85 -0.07 -2.94 0.00 0.00 177.10 175.57 1x1x h LEU 34 N 2.22 0.88 -0.52 3.54 3.38 -1.97 -1.34 115.31 121.50 1x1x h LEU 34 Ca -0.27 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.44 1x1x h LEU 34 Cb 1.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1x1x h LEU 34 CO 0.36 0.79 -0.33 0.44 0.09 0.00 0.00 178.44 179.79 1x1x h ASP 35 N 0.94 0.89 0.28 -0.43 3.32 -1.99 -2.12 116.42 117.31 1x1x h ASP 35 Ca 0.22 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.77 1x1x h ASP 35 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1x1x h ASP 35 CO -0.02 1.13 -0.50 0.00 -1.72 0.00 0.00 179.24 178.13 1x1x h ALA 36 N 0.91 0.96 -0.21 3.45 0.00 -1.89 -1.84 119.26 120.66 1x1x h ALA 36 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1x1x h ALA 36 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1x1x h ALA 36 CO 0.08 0.66 -0.09 1.25 0.00 0.00 0.00 179.25 181.15 1x1x h LEU 37 N 0.21 0.43 -0.65 0.00 5.85 -1.11 -0.52 115.31 119.52 1x1x h LEU 37 Ca 0.01 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1x1x h LEU 37 Cb 0.96 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1x1x h LEU 37 CO 0.08 0.74 0.42 -0.25 -0.34 0.00 0.00 178.44 179.09 1x1x h TRP 38 N 0.13 0.83 -0.39 1.25 2.91 -1.32 0.90 115.95 120.25 1x1x h TRP 38 Ca 0.05 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 1x1x h TRP 38 Cb 0.57 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 28.92 1x1x h TRP 38 CO 0.06 0.53 0.02 0.22 -1.03 0.00 0.00 178.44 178.25 1x1x h ASP 39 N 0.88 0.58 -0.11 2.65 3.58 -1.21 -1.76 116.42 121.03 1x1x h ASP 39 Ca 0.24 -0.11 -0.23 0.00 0.42 0.00 0.00 57.03 57.34 1x1x h ASP 39 Cb -0.08 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 40.83 1x1x h ASP 39 CO -0.05 0.63 -0.83 0.00 -2.88 0.00 0.00 179.24 176.11 1x1x h ALA 40 N 1.44 0.28 0.00 -0.78 0.00 -0.43 -1.24 119.26 118.53 1x1x h ALA 40 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1x1x h ALA 40 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x1x h ALA 40 CO 0.01 0.69 0.00 -0.07 0.00 0.00 0.00 179.25 179.88 1x1x h LEU 41 N 0.51 0.00 -0.70 0.00 3.38 -0.55 0.14 115.31 118.10 1x1x h LEU 41 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x1x h LEU 41 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1x1x h LEU 41 CO 0.17 0.00 -0.00 0.35 0.09 0.00 0.00 178.44 179.05 1x1x n THR 42 N -2.35 0.00 -2.27 0.22 -2.24 -0.69 -4.74 114.28 102.21 1x1x n THR 42 Ca 0.03 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.28 1x1x n THR 42 Cb 0.29 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 1x1x n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1x n GLY 43 N 0.31 0.91 2.18 3.38 0.00 -0.47 -5.00 105.19 106.49 1x1x n GLY 43 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1x1x n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x1x n TRP 44 N -0.11 -4.28 -1.35 1.61 -0.00 -0.98 -4.89 117.44 107.44 1x1x n TRP 44 Ca -0.16 1.29 -0.36 0.00 -0.00 0.00 0.00 57.50 58.27 1x1x n TRP 44 Cb 0.85 3.31 0.08 0.00 -0.00 0.00 0.00 31.31 35.55 1x1x n TRP 44 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 1x1x n VAL 45 N -3.25 2.61 -3.19 5.87 3.14 0.47 -4.99 118.33 118.99 1x1x n VAL 45 Ca 0.00 -0.39 -0.32 0.00 -2.96 0.00 0.00 64.34 60.67 1x1x n VAL 45 Cb 0.00 -1.00 -0.05 0.00 -1.06 0.00 0.00 33.84 31.72 1x1x n VAL 45 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1x1x s GLU 46 N -3.12 3.89 0.18 1.45 2.12 -1.26 -4.96 118.70 117.00 1x1x s GLU 46 Ca 0.71 0.49 0.08 0.00 0.36 0.00 0.00 54.97 56.62 1x1x s GLU 46 Cb -0.35 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 1x1x s GLU 46 CO 0.52 0.18 -0.16 0.71 -0.54 0.00 0.00 175.26 175.97 1x1x s TYR 47 N -2.00 1.72 0.66 5.30 2.02 -1.26 -4.14 117.35 119.65 1x1x s TYR 47 Ca 0.51 -0.53 -0.14 0.00 -0.37 0.00 0.00 57.07 56.54 1x1x s TYR 47 Cb -0.10 -0.83 -0.00 0.00 -0.40 0.00 0.00 41.96 40.63 1x1x s TYR 47 CO 0.21 0.33 1.08 -1.25 -1.57 0.00 0.00 175.55 174.35 1x1x s PRO 48 N -3.27 2.91 0.00 -1.71 0.04 -1.26 -4.71 135.00 127.00 1x1x s PRO 48 Ca 0.19 1.21 0.08 0.00 0.04 0.00 0.00 61.00 62.52 1x1x s PRO 48 Cb -0.03 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1x1x s PRO 48 CO 0.06 -1.14 -0.25 -1.17 0.04 0.00 0.00 177.00 174.54 1x1x s LEU 49 N -5.03 2.09 -0.16 -3.56 2.96 0.11 -0.93 118.68 114.16 1x1x s LEU 49 Ca 0.63 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1x1x s LEU 49 Cb -0.17 -1.29 0.03 0.00 0.50 0.00 0.00 46.19 45.26 1x1x s LEU 49 CO 0.45 0.29 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.98 1x1x s VAL 50 N -0.66 1.35 -0.28 1.68 1.01 -0.62 -0.60 120.40 122.27 1x1x s VAL 50 Ca 0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1x1x s VAL 50 Cb -0.10 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1x1x s VAL 50 CO 0.00 0.28 0.12 -0.22 0.00 0.00 0.00 175.10 175.28 1x1x s LEU 51 N 1.55 3.82 -0.38 3.92 0.20 0.51 -0.83 118.68 127.48 1x1x s LEU 51 Ca 0.02 -0.34 -0.09 0.00 0.69 0.00 0.00 54.13 54.42 1x1x s LEU 51 Cb -0.14 -1.98 0.05 0.00 -0.43 0.00 0.00 46.19 43.69 1x1x s LEU 51 CO -0.09 -0.11 0.19 -0.70 -0.29 0.00 0.00 176.35 175.35 1x1x s GLU 52 N 1.63 2.66 -0.56 1.98 2.12 0.10 -0.29 118.70 126.33 1x1x s GLU 52 Ca 0.06 -1.27 -0.11 0.00 0.36 0.00 0.00 54.97 54.01 1x1x s GLU 52 Cb -0.16 -3.66 0.14 0.00 0.26 0.00 0.00 34.13 30.71 1x1x s GLU 52 CO 0.06 -0.79 0.46 -0.46 -0.54 0.00 0.00 175.26 173.98 1x1x s TRP 53 N 1.45 3.44 0.38 5.30 -0.11 0.12 -1.35 118.94 128.17 1x1x s TRP 53 Ca 0.01 -1.87 -0.17 0.00 1.22 0.00 0.00 56.10 55.29 1x1x s TRP 53 Cb -0.21 -3.58 -0.09 0.00 -1.50 0.00 0.00 33.47 28.09 1x1x s TRP 53 CO 0.03 -0.98 0.83 1.03 -4.62 0.00 0.00 176.95 173.24 1x1x s ARG 54 N 1.05 4.05 -1.43 5.86 0.52 -0.29 -1.31 118.95 127.40 1x1x s ARG 54 Ca 0.08 0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 56.11 1x1x s ARG 54 Cb -0.24 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 32.92 1x1x s ARG 54 CO -0.02 0.04 0.38 1.04 0.02 0.00 0.00 175.30 176.76 1x1x n GLN 55 N -0.65 -3.03 -0.23 3.54 1.13 -1.13 0.07 117.38 117.08 1x1x n GLN 55 Ca 0.05 0.37 -0.05 0.00 -1.94 0.00 0.00 57.00 55.43 1x1x n GLN 55 Cb 0.54 -4.44 0.05 0.00 0.11 0.00 0.00 30.24 26.50 1x1x n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1x1x h PHE 56 N -1.82 0.78 -0.05 1.08 3.57 -1.84 -2.66 116.94 116.01 1x1x h PHE 56 Ca -0.63 0.02 0.03 0.00 3.53 0.00 0.00 57.97 60.91 1x1x h PHE 56 Cb 1.38 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 1x1x h PHE 56 CO 0.50 0.47 -0.12 0.93 -2.23 0.00 0.00 178.31 177.86 1x1x h GLU 57 N 0.83 -0.17 -0.59 1.11 4.39 -1.94 -0.50 114.58 117.71 1x1x h GLU 57 Ca 0.25 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.03 1x1x h GLU 57 Cb -0.05 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1x1x h GLU 57 CO -0.07 -0.11 0.39 1.96 -1.16 0.00 0.00 179.01 180.02 1x1x h GLN 58 N -0.18 0.52 0.00 2.33 4.20 -1.84 -0.01 115.11 120.13 1x1x h GLN 58 Ca 0.06 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 1x1x h GLN 58 Cb 0.26 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1x1x h GLN 58 CO -0.15 0.34 -0.53 0.66 -0.67 0.00 0.00 178.83 178.48 1x1x h SER 59 N 0.53 0.00 0.34 1.46 4.64 -1.09 -2.95 113.55 116.49 1x1x h SER 59 Ca 0.26 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1x1x h SER 59 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1x1x h SER 59 CO -0.08 0.53 -0.09 0.50 -0.87 0.00 0.00 176.83 176.82 1x1x h LYS 60 N 0.00 0.00 0.05 4.77 3.64 0.66 -3.20 116.57 122.49 1x1x h LYS 60 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1x1x h LYS 60 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1x1x h LYS 60 CO 0.07 0.09 -0.03 1.96 -2.27 0.00 0.00 179.45 179.27 1x1x h GLN 61 N 0.00 -0.07 -0.28 1.90 4.20 -1.32 -3.01 115.11 116.54 1x1x h GLN 61 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1x1x h GLN 61 Cb 0.28 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1x1x h GLN 61 CO 0.01 -0.05 0.00 1.28 -0.67 0.00 0.00 178.83 179.40 1x1x n LEU 62 N -2.51 0.28 0.00 1.46 4.77 -1.23 -1.86 117.00 117.92 1x1x n LEU 62 Ca -0.01 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1x1x n LEU 62 Cb 0.03 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1x1x n LEU 62 CO 0.02 0.07 0.00 0.35 -1.33 0.00 0.00 177.39 176.50 1x1x n THR 63 N 0.23 0.00 -1.49 -5.08 -2.24 -1.21 -3.21 114.28 101.28 1x1x n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1x1x n THR 63 Cb 0.07 1.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1x1x n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1x n GLU 64 N 0.00 0.00 -0.05 -0.78 4.71 -0.78 -1.79 120.64 121.95 1x1x n GLU 64 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.25 1x1x n GLU 64 Cb 0.20 0.00 0.44 0.00 -1.01 0.00 0.00 31.44 31.07 1x1x n GLU 64 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1x1x n ASN 65 N 5.05 1.16 -0.03 1.62 5.03 -1.26 -4.20 115.26 122.63 1x1x n ASN 65 Ca 0.00 -1.60 -0.09 0.00 0.87 0.00 0.00 54.58 53.76 1x1x n ASN 65 Cb 0.00 -0.07 -0.03 0.00 -1.02 0.00 0.00 39.78 38.66 1x1x n ASN 65 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1x1x h GLY 66 N 5.12 0.09 0.50 7.41 0.00 -1.67 -0.05 103.07 114.47 1x1x h GLY 66 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.51 1x1x h GLY 66 CO 0.00 -0.09 0.38 0.00 0.00 0.00 0.00 176.54 176.83 1x1x h ALA 67 N 1.12 1.01 -0.71 3.60 0.00 -1.77 0.04 119.26 122.55 1x1x h ALA 67 Ca 0.09 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1x1x h ALA 67 Cb 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1x1x h ALA 67 CO -0.20 -0.01 0.23 1.49 0.00 0.00 0.00 179.25 180.76 1x1x h GLU 68 N 0.65 1.09 -0.29 0.00 4.57 -1.63 -0.21 114.58 118.76 1x1x h GLU 68 Ca 0.36 -0.22 -0.13 0.00 -1.18 0.00 0.00 59.36 58.19 1x1x h GLU 68 Cb 0.35 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1x1x h GLU 68 CO -0.26 0.93 -0.34 0.66 -1.18 0.00 0.00 179.01 178.82 1x1x h SER 69 N 1.05 0.66 -0.33 1.04 4.64 0.06 -1.48 113.55 119.20 1x1x h SER 69 Ca 0.23 -0.27 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1x1x h SER 69 Cb 0.28 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1x1x h SER 69 CO -0.01 0.94 -0.16 0.58 -0.87 0.00 0.00 176.83 177.31 1x1x h VAL 70 N 0.54 1.29 -0.89 0.95 2.07 -0.64 -2.82 116.25 116.74 1x1x h VAL 70 Ca 0.06 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1x1x h VAL 70 Cb 0.83 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1x1x h VAL 70 CO 0.07 0.41 0.59 0.25 0.02 0.00 0.00 177.57 178.91 1x1x h LEU 71 N 0.46 1.01 -1.51 2.57 5.85 -0.90 -1.88 115.31 120.91 1x1x h LEU 71 Ca 0.07 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1x1x h LEU 71 Cb 0.69 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1x1x h LEU 71 CO 0.05 0.73 -0.17 -0.61 -0.34 0.00 0.00 178.44 178.10 1x1x h GLN 72 N 1.19 0.11 -0.26 1.25 -0.00 -1.10 -1.30 115.11 114.99 1x1x h GLN 72 Ca 0.33 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.81 1x1x h GLN 72 Cb -0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.34 1x1x h GLN 72 CO -0.07 0.28 -0.43 0.28 0.00 0.00 0.00 178.83 178.88 1x1x h VAL 73 N 0.10 1.30 -0.35 2.39 2.07 -1.10 0.66 116.25 121.32 1x1x h VAL 73 Ca 0.02 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 1x1x h VAL 73 Cb 0.36 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1x1x h VAL 73 CO 0.02 0.52 0.04 -0.26 0.02 0.00 0.00 177.57 177.91 1x1x h PHE 74 N 0.53 0.63 -0.37 1.57 0.04 -1.21 0.15 116.94 118.28 1x1x h PHE 74 Ca 0.04 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 1x1x h PHE 74 Cb 0.97 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1x1x h PHE 74 CO 0.04 0.66 -0.14 0.00 -0.60 0.00 0.00 178.31 178.28 1x1x h ARG 75 N 0.42 0.67 -0.34 1.51 3.08 -1.16 -0.73 114.38 117.82 1x1x h ARG 75 Ca 0.11 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 1x1x h ARG 75 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1x1x h ARG 75 CO 0.01 0.78 -0.24 0.00 -1.07 0.00 0.00 179.97 179.45 1x1x h ALA 76 N 1.24 0.93 -0.40 0.04 0.00 -0.56 -0.88 119.26 119.63 1x1x h ALA 76 Ca 0.10 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1x1x h ALA 76 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1x1x h ALA 76 CO 0.04 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.83 1x1x h ALA 77 N 1.13 0.55 -0.49 0.00 0.00 -0.28 -1.68 119.26 118.49 1x1x h ALA 77 Ca 0.08 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1x1x h ALA 77 Cb 0.73 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1x1x h ALA 77 CO 0.06 0.39 0.29 -0.22 0.00 0.00 0.00 179.25 179.77 1x1x h LYS 78 N 0.57 0.56 0.00 0.00 1.63 -0.84 -1.20 116.57 117.28 1x1x h LYS 78 Ca 0.11 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1x1x h LYS 78 Cb 0.58 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1x1x h LYS 78 CO 0.03 0.37 -0.05 0.00 -3.45 0.00 0.00 179.45 176.35 1x1x h ALA 79 N 1.22 1.87 0.00 5.00 0.00 -0.92 -0.33 119.26 126.09 1x1x h ALA 79 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x1x h ALA 79 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1x1x h ALA 79 CO -0.09 0.07 0.00 1.49 0.00 0.00 0.00 179.25 180.72 1x1x h GLU 80 N 0.00 0.00 0.00 0.00 4.57 -0.28 -3.46 114.58 115.41 1x1x h GLU 80 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x1x h GLU 80 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1x1x h GLU 80 CO 0.01 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.25 1x1x n GLY 81 N 0.47 1.45 3.75 1.92 0.00 -0.14 -5.09 105.19 107.55 1x1x n GLY 81 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1x1x n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1x s ALA 82 N -2.00 3.70 -1.23 4.61 0.00 -0.88 -4.88 121.76 121.08 1x1x s ALA 82 Ca 0.00 1.52 -0.19 0.00 0.00 0.00 0.00 51.96 53.29 1x1x s ALA 82 Cb 0.00 -3.62 0.07 0.00 0.00 0.00 0.00 23.12 19.57 1x1x s ALA 82 CO 0.00 -0.94 1.65 0.34 0.00 0.00 0.00 175.76 176.81 1x1x s ASP 83 N 0.39 6.78 -0.09 0.00 3.68 -1.26 -4.34 116.67 121.83 1x1x s ASP 83 Ca 0.61 -2.27 0.04 0.00 2.13 0.00 0.00 52.55 53.06 1x1x s ASP 83 Cb -0.46 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.44 1x1x s ASP 83 CO 0.49 -1.21 -0.21 -0.63 0.13 0.00 0.00 175.17 173.73 1x1x s ILE 84 N 4.20 1.84 -0.22 4.11 1.01 -1.26 -0.71 121.20 130.18 1x1x s ILE 84 Ca 0.51 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1x1x s ILE 84 Cb 0.03 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1x1x s ILE 84 CO 0.03 0.51 -0.03 -0.89 0.00 0.00 0.00 174.94 174.57 1x1x s THR 85 N 0.37 3.52 -0.23 2.92 2.01 0.23 -4.91 115.64 119.54 1x1x s THR 85 Ca -0.17 -0.45 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 1x1x s THR 85 Cb -0.17 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 1x1x s THR 85 CO 0.07 0.42 0.07 -0.63 -0.69 0.00 0.00 174.62 173.86 1x1x s ILE 86 N 1.40 4.38 -0.31 1.82 1.01 -1.26 -0.36 121.20 127.88 1x1x s ILE 86 Ca 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 1x1x s ILE 86 Cb -0.14 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.32 1x1x s ILE 86 CO -0.02 0.36 0.07 -0.63 0.00 0.00 0.00 174.94 174.72 1x1x s ILE 87 N 1.37 3.67 -0.63 2.92 -1.09 0.60 -4.99 121.20 123.04 1x1x s ILE 87 Ca 0.05 -0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 57.38 1x1x s ILE 87 Cb -0.15 -2.99 0.16 0.00 -1.58 0.00 0.00 42.46 37.91 1x1x s ILE 87 CO 0.03 -0.03 0.54 -0.76 -1.23 0.00 0.00 174.94 173.50 1x1x s LEU 88 N 1.42 6.13 0.00 2.97 1.43 -1.26 0.13 118.68 129.49 1x1x s LEU 88 Ca -0.00 -2.26 0.01 0.00 -1.03 0.00 0.00 54.13 50.84 1x1x s LEU 88 Cb -0.18 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1x1x s LEU 88 CO 0.01 -0.66 0.52 -1.54 0.23 0.00 0.00 176.35 174.92