#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2png n ASP 2 N 0.00 0.00 -4.46 1.61 2.03 -1.26 -4.68 116.55 109.79 2png n ASP 2 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 2png n ASP 2 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 2png n ASP 2 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2png s GLY 3 N 0.00 1.96 -0.20 0.27 0.00 -1.26 -5.12 107.32 102.97 2png s GLY 3 Ca 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 44.72 42.65 2png s GLY 3 CO 0.00 -1.88 0.11 1.85 0.00 0.00 0.00 173.10 173.18 2png s GLU 4 N -3.74 4.06 -0.65 2.90 2.56 -1.26 -5.01 118.70 117.56 2png s GLU 4 Ca 0.31 -0.29 -0.27 0.00 0.00 0.00 0.00 54.97 54.72 2png s GLU 4 Cb 0.05 -3.36 0.01 0.00 2.00 0.00 0.00 34.13 32.83 2png s GLU 4 CO 0.13 0.22 1.48 0.00 -0.56 0.00 0.00 175.26 176.54 2png s ALA 5 N 0.55 2.61 -0.07 6.30 0.00 -1.26 -4.17 121.76 125.72 2png s ALA 5 Ca 0.06 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 2png s ALA 5 Cb -0.12 -4.22 0.01 0.00 0.00 0.00 0.00 23.12 18.79 2png s ALA 5 CO 0.00 -3.34 0.07 0.94 0.00 0.00 0.00 175.76 173.44 2png n GLN 6 N 9.09 -1.56 -1.29 0.00 7.27 -1.26 -4.49 117.38 125.15 2png n GLN 6 Ca 0.11 1.50 -0.16 0.00 0.07 0.00 0.00 57.00 58.52 2png n GLN 6 Cb 0.50 -2.46 0.11 0.00 2.41 0.00 0.00 30.24 30.80 2png n GLN 6 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2png n ARG 7 N 0.53 -0.50 -2.24 3.69 1.85 -1.26 -4.84 116.66 113.90 2png n ARG 7 Ca -0.12 -1.31 -0.41 0.00 -1.00 0.00 0.00 57.85 55.00 2png n ARG 7 Cb 0.19 -0.69 -0.03 0.00 -1.05 0.00 0.00 32.46 30.88 2png n ARG 7 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2png s ASP 8 N -3.72 6.93 0.57 2.89 1.01 -1.26 -4.89 116.67 118.19 2png s ASP 8 Ca 0.43 2.44 0.28 0.00 0.71 0.00 0.00 52.55 56.41 2png s ASP 8 Cb -0.01 -2.62 1.69 0.00 1.01 0.00 0.00 42.92 42.98 2png s ASP 8 CO 0.30 -0.47 2.20 -0.07 0.21 0.00 0.00 175.17 177.34 2png h LEU 9 N 4.66 0.00 -1.59 1.23 3.38 -1.90 0.11 115.31 121.21 2png h LEU 9 Ca -0.46 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 2png h LEU 9 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2png h LEU 9 CO 0.73 0.03 -0.22 0.58 0.09 0.00 0.00 178.44 179.65 2png h VAL 10 N 0.00 0.97 -0.05 1.22 2.07 -1.86 0.38 116.25 118.99 2png h VAL 10 Ca -0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2png h VAL 10 Cb 0.08 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2png h VAL 10 CO 0.00 0.22 0.00 0.29 0.02 0.00 0.00 177.57 178.10 2png n LYS 11 N -3.99 1.12 0.05 1.57 4.76 0.38 -1.34 118.16 120.71 2png n LYS 11 Ca -0.02 -0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 2png n LYS 11 Cb 0.30 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 2png n LYS 11 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2png n ALA 12 N -0.41 3.00 0.01 7.82 0.00 -0.77 -4.60 120.51 125.56 2png n ALA 12 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 2png n ALA 12 Cb 0.06 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.61 2png n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2png h VAL 13 N 0.00 1.24 0.00 0.00 2.07 -0.32 -1.01 116.25 118.23 2png h VAL 13 Ca 0.00 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 2png h VAL 13 Cb 0.23 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2png h VAL 13 CO 0.00 0.19 -0.36 0.00 0.02 0.00 0.00 177.57 177.41 2png h ALA 14 N 0.69 1.04 -0.08 1.67 0.00 -1.37 -2.35 119.26 118.85 2png h ALA 14 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2png h ALA 14 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2png h ALA 14 CO 0.00 0.45 -0.17 1.25 0.00 0.00 0.00 179.25 180.78 2png h HIS 15 N 0.00 0.13 -0.91 0.00 2.76 -1.30 0.26 115.15 116.09 2png h HIS 15 Ca -0.00 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 2png h HIS 15 Cb 0.85 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.73 2png h HIS 15 CO 0.00 0.30 0.52 0.82 -1.30 0.00 0.00 177.93 178.27 2png h ILE 16 N 0.12 1.26 0.09 6.26 1.08 -0.62 -2.93 117.51 122.77 2png h ILE 16 Ca 0.02 -0.59 -0.29 0.00 -0.39 0.00 0.00 64.86 63.61 2png h ILE 16 Cb 0.38 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 2png h ILE 16 CO 0.02 0.28 -1.45 -0.07 -0.69 0.00 0.00 178.15 176.24 2png h LEU 17 N 1.26 0.30 0.00 1.44 3.38 -1.39 -3.48 115.31 116.83 2png h LEU 17 Ca 0.32 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2png h LEU 17 Cb -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2png h LEU 17 CO -0.06 1.34 0.00 0.61 0.09 0.00 0.00 178.44 180.42 2png n GLY 18 N 1.60 1.21 3.98 0.83 0.00 0.69 -5.12 105.19 108.39 2png n GLY 18 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 2png n GLY 18 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2png s ILE 19 N -2.00 3.79 0.00 -0.61 -4.36 0.13 -4.94 121.20 113.21 2png s ILE 19 Ca 0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.59 2png s ILE 19 Cb 0.00 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.37 2png s ILE 19 CO 0.00 -0.18 0.00 -1.14 0.24 0.00 0.00 174.94 173.86 2png n ARG 20 N -1.88 0.00 0.08 0.37 0.63 -1.26 -3.25 116.66 111.35 2png n ARG 20 Ca 0.02 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.74 2png n ARG 20 Cb 0.58 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.36 2png n ARG 20 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2png h ASP 21 N 0.00 0.73 -4.66 6.15 5.19 -1.98 -3.48 116.42 118.37 2png h ASP 21 Ca 0.00 -0.86 -0.38 0.00 -0.62 0.00 0.00 57.03 55.17 2png h ASP 21 Cb 0.00 -0.23 0.08 0.00 0.18 0.00 0.00 39.33 39.36 2png h ASP 21 CO 0.00 1.52 -0.60 0.18 -3.12 0.00 0.00 179.24 177.22 2png n LEU 22 N -3.93 -2.85 0.14 1.55 7.99 -1.26 -4.88 117.00 113.76 2png n LEU 22 Ca -0.14 -0.34 0.12 0.00 -0.01 0.00 0.00 56.01 55.64 2png n LEU 22 Cb 0.92 -2.87 0.20 0.00 -0.11 0.00 0.00 43.42 41.55 2png n LEU 22 CO 0.55 0.34 0.60 0.00 -1.51 0.00 0.00 177.39 177.37 2png h ALA 23 N 0.96 0.83 -0.24 -1.18 0.00 -2.03 -3.34 119.26 114.25 2png h ALA 23 Ca -0.52 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 2png h ALA 23 Cb 1.35 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.81 2png h ALA 23 CO 0.54 0.00 -0.88 0.41 0.00 0.00 0.00 179.25 179.32 2png n GLY 24 N 1.21 1.63 3.15 0.00 0.00 -1.26 -5.08 105.19 104.84 2png n GLY 24 Ca 0.04 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 2png n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2png s ILE 25 N -2.14 1.28 -0.15 -0.61 -1.09 -1.25 -5.09 121.20 112.14 2png s ILE 25 Ca 0.23 -0.71 -0.29 0.00 -2.23 0.00 0.00 60.65 57.65 2png s ILE 25 Cb 0.34 -1.07 -0.04 0.00 -1.58 0.00 0.00 42.46 40.11 2png s ILE 25 CO -0.08 0.35 1.70 0.21 -1.23 0.00 0.00 174.94 175.89 2png s ASN 26 N -0.41 6.40 0.24 3.58 3.84 -1.26 -4.87 114.94 122.47 2png s ASN 26 Ca 0.06 1.90 0.11 0.00 0.21 0.00 0.00 52.86 55.14 2png s ASN 26 Cb -0.06 -2.53 0.21 0.00 -0.55 0.00 0.00 41.25 38.32 2png s ASN 26 CO -0.01 -1.19 1.52 -0.07 -2.79 0.00 0.00 177.10 174.56 2png h LEU 27 N 11.43 0.00 -0.46 3.21 3.38 -1.98 -3.22 115.31 127.67 2png h LEU 27 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2png h LEU 27 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2png h LEU 27 CO 0.98 0.69 0.00 0.47 0.09 0.00 0.00 178.44 180.67 2png n ASP 28 N -3.58 0.62 -4.69 -0.43 8.00 -1.26 -2.53 116.55 112.69 2png n ASP 28 Ca -0.00 -2.01 -0.42 0.00 0.71 0.00 0.00 54.79 53.06 2png n ASP 28 Cb 0.71 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2png s SER 29 N -0.89 7.11 0.67 -2.24 0.01 -1.22 -4.91 113.70 112.23 2png s SER 29 Ca 0.06 1.74 -0.15 0.00 1.31 0.00 0.00 55.95 58.90 2png s SER 29 Cb 0.03 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2png s SER 29 CO 0.04 -0.54 1.14 -0.94 0.41 0.00 0.00 173.24 173.35 2png s SER 30 N 1.36 4.87 0.39 2.44 1.04 -1.26 -2.01 113.70 120.53 2png s SER 30 Ca 0.54 2.14 0.09 0.00 0.48 0.00 0.00 55.95 59.19 2png s SER 30 Cb -0.23 -2.57 0.85 0.00 0.10 0.00 0.00 66.02 64.17 2png s SER 30 CO 0.21 -1.79 1.97 0.25 0.98 0.00 0.00 173.24 174.85 2png h LEU 31 N 0.05 0.55 -0.82 2.42 5.85 -0.59 0.48 115.31 123.26 2png h LEU 31 Ca -0.47 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.15 2png h LEU 31 Cb 1.26 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2png h LEU 31 CO 0.53 0.35 -0.24 0.00 -0.34 0.00 0.00 178.44 178.74 2png h ALA 32 N 1.65 0.99 -0.09 1.25 0.00 -1.82 -2.52 119.26 118.71 2png h ALA 32 Ca 0.29 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2png h ALA 32 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2png h ALA 32 CO -0.09 0.60 -0.32 0.22 0.00 0.00 0.00 179.25 179.65 2png h ASP 33 N 0.54 0.18 0.20 0.00 3.58 -1.25 -2.18 116.42 117.49 2png h ASP 33 Ca 0.08 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 2png h ASP 33 Cb 0.71 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 2png h ASP 33 CO 0.05 0.50 -0.16 -0.07 -2.88 0.00 0.00 179.24 176.69 2png h LEU 34 N 0.16 0.00 0.00 2.28 4.07 -1.12 -3.46 115.31 117.24 2png h LEU 34 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2png h LEU 34 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2png h LEU 34 CO 0.05 0.16 0.00 0.61 -1.08 0.00 0.00 178.44 178.18 2png n GLY 35 N -0.99 1.79 3.61 0.83 0.00 -0.82 -5.07 105.19 104.54 2png n GLY 35 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2png n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2png s LEU 36 N 0.00 3.58 0.02 0.99 2.96 -0.97 -4.74 118.68 120.52 2png s LEU 36 Ca 0.00 1.72 -0.05 0.00 -0.22 0.00 0.00 54.13 55.58 2png s LEU 36 Cb 0.00 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 2png s LEU 36 CO 0.00 -1.73 -0.10 -0.67 -1.32 0.00 0.00 176.35 172.53 2png n ASP 37 N 10.56 1.34 0.07 3.68 2.03 -1.26 -4.78 116.55 128.19 2png n ASP 37 Ca 0.26 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.76 2png n ASP 37 Cb 0.45 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2png n ASP 37 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2png n SER 38 N -3.76 0.07 -0.27 1.67 7.64 -1.26 -4.88 113.62 112.83 2png n SER 38 Ca -0.04 0.23 0.03 0.00 1.01 0.00 0.00 58.87 60.10 2png n SER 38 Cb 0.15 0.13 0.25 0.00 -1.01 0.00 0.00 64.21 63.73 2png n SER 38 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2png h LEU 39 N 0.00 0.88 0.00 -3.43 5.85 -1.96 0.10 115.31 116.75 2png h LEU 39 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2png h LEU 39 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2png h LEU 39 CO 0.00 0.60 0.00 0.23 -0.34 0.00 0.00 178.44 178.93 2png n MET 40 N -4.46 0.46 -0.00 1.25 2.81 -1.26 -0.51 117.12 115.40 2png n MET 40 Ca 0.11 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2png n MET 40 Cb 0.13 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.14 2png n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2png n GLY 41 N -0.08 -0.01 0.09 3.03 0.00 -0.21 -4.59 105.19 103.42 2png n GLY 41 Ca 0.11 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2png n GLY 41 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2png h VAL 42 N 0.00 1.34 -0.08 1.61 2.07 -0.32 -1.41 116.25 119.46 2png h VAL 42 Ca -0.01 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 2png h VAL 42 Cb 1.03 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 2png h VAL 42 CO -0.00 0.30 -0.30 -0.08 0.02 0.00 0.00 177.57 177.51 2png h GLU 43 N -0.24 0.15 -0.03 1.57 4.81 -1.05 0.12 114.58 119.91 2png h GLU 43 Ca 0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2png h GLU 43 Cb 0.51 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2png h GLU 43 CO 0.01 0.45 0.01 0.28 -0.73 0.00 0.00 179.01 179.03 2png h VAL 44 N 0.13 1.15 -0.49 0.32 2.07 -1.71 -2.31 116.25 115.42 2png h VAL 44 Ca 0.02 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2png h VAL 44 Cb 0.61 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2png h VAL 44 CO 0.04 0.12 0.29 0.03 0.02 0.00 0.00 177.57 178.07 2png h ARG 45 N -0.12 0.66 0.00 1.57 3.08 -0.51 0.28 114.38 119.34 2png h ARG 45 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2png h ARG 45 Cb 0.18 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2png h ARG 45 CO -0.00 0.47 0.00 1.04 -1.07 0.00 0.00 179.97 180.41 2png n GLN 46 N -4.43 0.07 -0.05 0.04 1.13 0.36 -0.19 117.38 114.30 2png n GLN 46 Ca 0.04 0.34 -0.04 0.00 -1.94 0.00 0.00 57.00 55.40 2png n GLN 46 Cb 0.08 -1.64 -0.01 0.00 0.11 0.00 0.00 30.24 28.78 2png n GLN 46 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2png n ILE 47 N -1.76 1.03 -0.14 5.09 5.41 -0.03 -4.01 119.36 124.95 2png n ILE 47 Ca 0.03 0.28 -0.07 0.00 1.00 0.00 0.00 62.75 63.99 2png n ILE 47 Cb 0.17 -2.13 0.02 0.00 -0.71 0.00 0.00 39.64 36.99 2png n ILE 47 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2png h LEU 48 N -0.72 0.40 -0.57 1.39 -0.00 -1.13 0.32 115.31 115.00 2png h LEU 48 Ca 0.00 0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.80 2png h LEU 48 Cb 0.46 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2png h LEU 48 CO 0.00 0.29 -0.43 -0.08 -0.00 0.00 0.00 178.44 178.22 2png h GLU 49 N 0.51 0.00 0.01 1.13 4.81 0.09 0.11 114.58 121.24 2png h GLU 49 Ca 0.18 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.22 2png h GLU 49 Cb 0.02 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2png h GLU 49 CO -0.09 0.43 -1.03 -0.09 -0.73 0.00 0.00 179.01 177.50 2png h ARG 50 N 0.00 0.01 0.00 1.92 2.43 -1.52 -2.62 114.38 114.60 2png h ARG 50 Ca -0.00 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 2png h ARG 50 Cb 1.10 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2png h ARG 50 CO 0.06 1.01 -1.14 0.93 -1.51 0.00 0.00 179.97 179.31 2png h GLU 51 N -0.96 0.00 0.00 0.20 4.39 -0.47 -3.37 114.58 114.37 2png h GLU 51 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2png h GLU 51 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2png h GLU 51 CO -0.16 0.76 0.00 1.58 -1.16 0.00 0.00 179.01 180.03 2png n HIS 52 N -3.23 0.00 -2.00 4.33 -0.00 -0.43 -4.62 115.22 109.28 2png n HIS 52 Ca -0.05 -0.12 -0.20 0.00 0.46 0.00 0.00 57.72 57.81 2png n HIS 52 Cb 0.94 -0.01 -0.05 0.00 -0.12 0.00 0.00 29.99 30.75 2png n HIS 52 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2png n ASP 53 N -0.12 -5.59 -4.50 0.26 8.00 -0.40 -4.92 116.55 109.28 2png n ASP 53 Ca 0.00 0.25 -0.43 0.00 0.71 0.00 0.00 54.79 55.32 2png n ASP 53 Cb 0.26 -4.80 -0.04 0.00 -0.02 0.00 0.00 41.12 36.51 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2png s LEU 54 N -5.36 4.25 -1.09 0.64 1.43 0.24 -4.79 118.68 114.00 2png s LEU 54 Ca 0.00 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.38 2png s LEU 54 Cb 0.00 -2.72 0.07 0.00 0.03 0.00 0.00 46.19 43.58 2png s LEU 54 CO 0.00 -1.22 1.48 -0.69 0.23 0.00 0.00 176.35 176.15 2png s VAL 55 N 3.80 4.15 -0.44 -1.59 1.01 -1.26 -1.96 120.40 124.11 2png s VAL 55 Ca 0.27 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 2png s VAL 55 Cb -0.14 -5.05 0.05 0.00 0.00 0.00 0.00 36.38 31.24 2png s VAL 55 CO 0.17 -1.88 0.33 -0.76 0.00 0.00 0.00 175.10 172.96 2png s LEU 56 N 4.27 5.32 0.78 3.92 1.43 -1.26 -5.07 118.68 128.06 2png s LEU 56 Ca 0.46 -1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 2png s LEU 56 Cb 0.00 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 44.14 2png s LEU 56 CO -0.05 -0.54 1.09 -2.84 0.23 0.00 0.00 176.35 174.24 2png s PRO 57 N 1.63 2.22 0.57 1.29 0.02 -1.26 -4.72 135.00 134.74 2png s PRO 57 Ca 0.04 0.76 0.25 0.00 0.02 0.00 0.00 61.00 62.08 2png s PRO 57 Cb -0.22 -1.92 1.59 0.00 0.02 0.00 0.00 34.50 33.97 2png s PRO 57 CO 0.08 -1.55 2.17 0.82 -0.33 0.00 0.00 177.00 178.18 2png h ILE 58 N -1.05 0.66 0.00 2.83 5.03 -1.97 -0.30 117.51 122.72 2png h ILE 58 Ca -0.46 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.28 2png h ILE 58 Cb 1.25 0.94 -0.00 0.00 -3.03 0.00 0.00 36.82 35.98 2png h ILE 58 CO 0.58 0.00 -0.00 0.03 -0.68 0.00 0.00 178.15 178.08 2png h ARG 59 N 0.00 0.00 0.00 2.37 -0.00 -2.00 0.89 114.38 115.64 2png h ARG 59 Ca 0.04 0.00 -0.29 0.00 -0.50 0.00 0.00 59.98 59.23 2png h ARG 59 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.13 2png h ARG 59 CO -0.00 0.00 -1.97 0.39 0.00 0.00 0.00 179.97 178.39 2png n GLU 60 N -3.09 0.37 0.25 0.04 1.02 -0.22 -4.69 120.64 114.32 2png n GLU 60 Ca -0.03 0.16 0.08 0.00 -0.02 0.00 0.00 57.16 57.35 2png n GLU 60 Cb 0.08 -1.13 0.64 0.00 -0.02 0.00 0.00 31.44 31.01 2png n GLU 60 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2png h VAL 61 N -0.59 0.96 0.00 2.62 2.07 -1.05 -2.26 116.25 117.99 2png h VAL 61 Ca -0.44 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2png h VAL 61 Cb 1.40 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2png h VAL 61 CO -0.26 0.07 -0.05 -0.09 0.02 0.00 0.00 177.57 177.26 2png h ARG 62 N 0.00 0.00 -0.57 1.57 2.43 -1.08 -1.14 114.38 115.60 2png h ARG 62 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2png h ARG 62 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2png h ARG 62 CO 0.01 0.05 0.00 1.04 -1.51 0.00 0.00 179.97 179.56 2png n GLN 63 N -3.89 2.52 -2.75 0.20 3.00 -0.85 -2.58 117.38 113.03 2png n GLN 63 Ca -0.03 -2.35 -0.41 0.00 -0.01 0.00 0.00 57.00 54.20 2png n GLN 63 Cb 0.14 -1.52 -0.04 0.00 0.00 0.00 0.00 30.24 28.82 2png n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2png s LEU 64 N -1.19 4.42 0.45 1.08 1.43 -0.43 -4.84 118.68 119.60 2png s LEU 64 Ca 0.43 1.67 -0.06 0.00 -1.03 0.00 0.00 54.13 55.14 2png s LEU 64 Cb 0.23 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2png s LEU 64 CO 0.31 -0.17 0.76 0.42 0.23 0.00 0.00 176.35 177.91 2png s THR 65 N 0.57 4.89 0.22 5.49 -4.23 -1.26 -0.61 115.64 120.71 2png s THR 65 Ca 0.49 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 61.12 2png s THR 65 Cb -0.22 -3.82 0.26 0.00 1.34 0.00 0.00 72.50 70.06 2png s THR 65 CO 0.28 -0.73 1.59 0.25 -0.54 0.00 0.00 174.62 175.47 2png h LEU 66 N 0.58 -0.90 0.00 4.79 7.12 -1.11 0.18 115.31 125.97 2png h LEU 66 Ca -0.47 0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.78 2png h LEU 66 Cb 1.20 0.53 0.00 0.00 -0.53 0.00 0.00 40.66 41.86 2png h LEU 66 CO 0.62 -0.27 -0.20 0.54 -0.13 0.00 0.00 178.44 179.00 2png n ARG 67 N -5.48 0.24 0.24 1.25 5.12 -1.25 -2.84 116.66 113.94 2png n ARG 67 Ca 0.09 0.15 0.15 0.00 -1.93 0.00 0.00 57.85 56.32 2png n ARG 67 Cb 0.38 -1.74 0.53 0.00 -1.16 0.00 0.00 32.46 30.47 2png n ARG 67 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2png h LYS 68 N 0.00 0.00 -0.74 5.56 3.64 -0.96 -2.54 116.57 121.52 2png h LYS 68 Ca 0.00 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 2png h LYS 68 Cb 0.72 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 2png h LYS 68 CO 0.00 0.00 0.49 -0.07 -2.27 0.00 0.00 179.45 177.60 2png h LEU 69 N 0.00 0.45 -0.55 5.20 -0.00 -1.28 0.74 115.31 119.88 2png h LEU 69 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2png h LEU 69 Cb 0.62 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2png h LEU 69 CO 0.00 0.25 -0.18 0.00 -0.00 0.00 0.00 178.44 178.50 2png n GLN 70 N -4.49 0.98 -0.01 1.13 10.64 -0.96 -2.23 117.38 122.45 2png n GLN 70 Ca 0.14 -0.55 -0.21 0.00 -1.83 0.00 0.00 57.00 54.55 2png n GLN 70 Cb 0.46 -1.49 -0.13 0.00 -0.86 0.00 0.00 30.24 28.22 2png n GLN 70 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2png h GLU 71 N 1.34 0.19 -0.94 2.61 5.08 -1.12 -3.35 114.58 118.39 2png h GLU 71 Ca 0.00 -0.32 -0.29 0.00 -1.00 0.00 0.00 59.36 57.76 2png h GLU 71 Cb 0.48 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.68 2png h GLU 71 CO 0.00 1.15 0.36 -1.33 -1.00 0.00 0.00 179.01 178.19 2png n MET 72 N -4.06 2.26 0.06 2.33 2.81 0.07 -4.28 117.12 116.31 2png n MET 72 Ca -0.24 -2.11 -0.05 0.00 -1.81 0.00 0.00 57.70 53.48 2png n MET 72 Cb 0.83 -1.87 0.13 0.00 -0.71 0.00 0.00 33.22 31.60 2png n MET 72 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2png h SER 73 N 1.13 0.36 -6.66 7.83 4.64 -1.58 -3.48 113.55 115.79 2png h SER 73 Ca 0.35 -0.19 -0.46 0.00 -0.47 0.00 0.00 61.79 61.02 2png h SER 73 Cb 2.15 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 2png h SER 73 CO 0.68 0.83 -1.02 -0.24 -0.87 0.00 0.00 176.83 176.21 2png n SER 74 N -3.93 -5.01 -4.81 4.97 2.88 -1.26 -4.87 113.62 101.58 2png n SER 74 Ca -0.02 -0.93 -0.35 0.00 -1.33 0.00 0.00 58.87 56.24 2png n SER 74 Cb 0.58 -1.93 -0.07 0.00 -0.75 0.00 0.00 64.21 62.04 2png n SER 74 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2png s LYS 75 N -4.96 4.35 0.33 -1.46 1.02 -1.26 -4.86 119.74 112.90 2png s LYS 75 Ca 0.03 1.11 0.03 0.00 0.02 0.00 0.00 55.97 57.16 2png s LYS 75 Cb -0.02 -2.56 0.59 0.00 -0.52 0.00 0.00 37.83 35.32 2png s LYS 75 CO 0.89 0.18 1.91 0.00 -0.92 0.00 0.00 175.35 177.41 2png h ALA 76 N 2.68 1.41 -0.07 5.17 0.00 -1.82 -2.44 119.26 124.20 2png h ALA 76 Ca -0.48 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2png h ALA 76 Cb 1.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2png h ALA 76 CO 0.64 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.74 2png n GLY 77 N -1.07 -0.58 3.55 0.00 0.00 -1.26 -4.68 105.19 101.15 2png n GLY 77 Ca 0.03 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2png n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2png s SER 78 N -1.39 6.23 -0.48 1.61 0.01 -0.92 -4.95 113.70 113.80 2png s SER 78 Ca 0.22 -0.66 -0.29 0.00 1.31 0.00 0.00 55.95 56.53 2png s SER 78 Cb 0.11 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.81 2png s SER 78 CO 0.17 -1.76 1.12 -0.62 0.41 0.00 0.00 173.24 172.56 2png s ASP 79 N 3.97 6.62 -0.13 2.44 2.15 -1.26 -4.97 116.67 125.49 2png s ASP 79 Ca 0.37 0.43 -0.10 0.00 0.43 0.00 0.00 52.55 53.67 2png s ASP 79 Cb -0.07 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.05 2png s ASP 79 CO 0.10 -1.23 0.34 -0.89 -0.17 0.00 0.00 175.17 173.32 2png s THR 80 N 4.38 -0.01 0.04 1.71 2.01 -1.26 -5.16 115.64 117.34 2png s THR 80 Ca 0.47 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.55 2png s THR 80 Cb -0.07 -0.49 -0.02 0.00 0.01 0.00 0.00 72.50 71.92 2png s THR 80 CO 0.31 0.02 -0.13 -1.83 -0.69 0.00 0.00 174.62 172.30 2png s GLU 81 N 0.61 0.86 0.00 4.92 -1.05 -1.26 -4.79 118.70 117.98 2png s GLU 81 Ca -0.03 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 2png s GLU 81 Cb -0.05 -0.84 0.00 0.00 -0.44 0.00 0.00 34.13 32.80 2png s GLU 81 CO -0.04 0.20 0.00 1.28 0.95 0.00 0.00 175.26 177.66 2png n LEU 82 N 1.87 0.08 0.09 1.83 7.99 -1.26 -4.77 117.00 122.83 2png n LEU 82 Ca -0.18 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.74 2png n LEU 82 Cb 0.55 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2png n LEU 82 CO 0.23 -0.04 0.27 0.00 -1.51 0.00 0.00 177.39 176.34 2png h ALA 83 N 0.00 0.57 -2.18 -1.18 0.00 -2.03 -3.38 119.26 111.05 2png h ALA 83 Ca 0.00 -0.73 -0.66 0.00 0.00 0.00 0.00 54.91 53.52 2png h ALA 83 Cb 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 17.54 2png h ALA 83 CO 0.00 0.94 0.08 0.00 0.00 0.00 0.00 179.25 180.27 2png s ALA 84 N -3.20 3.36 -0.36 0.00 0.00 -1.26 -5.01 121.76 115.29 2png s ALA 84 Ca -0.02 -1.34 -0.42 0.00 0.00 0.00 0.00 51.96 50.18 2png s ALA 84 Cb 0.10 -3.29 -0.17 0.00 0.00 0.00 0.00 23.12 19.77 2png s ALA 84 CO 0.82 -1.82 1.76 -0.35 0.00 0.00 0.00 175.76 176.17 2png n PRO 85 N 6.20 0.76 0.00 0.00 -0.04 -1.26 -4.81 135.00 135.85 2png n PRO 85 Ca -0.03 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2png n PRO 85 Cb 0.47 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2png n PRO 85 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2png n LYS 86 N 5.35 0.71 0.00 0.54 5.02 -1.26 -1.86 118.16 126.66 2png n LYS 86 Ca 0.31 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.70 2png n LYS 86 Cb 0.07 -1.26 0.03 0.00 -0.02 0.00 0.00 35.03 33.85 2png n LYS 86 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2png n SER 87 N 0.36 0.78 -3.15 4.39 7.64 -1.26 -4.77 113.62 117.60 2png n SER 87 Ca 0.00 -0.66 0.05 0.00 1.01 0.00 0.00 58.87 59.27 2png n SER 87 Cb 0.26 0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 64.15 2png n SER 87 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2png s LYS 88 N -3.01 0.34 0.00 1.43 2.20 -0.78 -5.31 119.74 114.61 2png s LYS 88 Ca 0.09 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2png s LYS 88 Cb 0.17 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 2png s LYS 88 CO 0.80 -0.50 0.51 0.09 -0.36 0.00 0.00 175.35 175.89