#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2png s ASP 2 N 0.00 6.60 0.00 1.61 1.11 -1.26 -4.73 116.67 120.00 2png s ASP 2 Ca 0.00 -3.14 0.00 0.00 0.18 0.00 0.00 52.55 49.59 2png s ASP 2 Cb 0.00 -2.11 0.00 0.00 1.07 0.00 0.00 42.92 41.88 2png s ASP 2 CO 0.00 -0.40 0.00 0.61 1.18 0.00 0.00 175.17 176.56 2png n GLY 3 N 3.27 2.02 0.26 0.21 0.00 -1.26 -4.63 105.19 105.07 2png n GLY 3 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2png n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2png n GLU 4 N 0.00 0.00 -3.19 1.61 2.13 -1.26 -5.17 120.64 114.76 2png n GLU 4 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2png n GLU 4 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2png n GLU 4 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2png n ALA 5 N -1.11 0.00 -2.69 4.31 0.00 -1.26 -4.83 120.51 114.92 2png n ALA 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2png n ALA 5 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2png n ALA 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2png s GLN 6 N -1.91 4.22 0.65 0.00 0.74 -1.26 -5.06 119.66 117.03 2png s GLN 6 Ca 0.00 0.17 -0.11 0.00 0.05 0.00 0.00 55.36 55.48 2png s GLN 6 Cb 0.00 -3.49 0.15 0.00 1.10 0.00 0.00 33.01 30.77 2png s GLN 6 CO 0.00 0.08 0.88 2.89 -0.55 0.00 0.00 175.29 178.59 2png n ARG 7 N 4.08 -0.82 -1.72 1.67 0.00 -1.26 -4.08 116.66 114.52 2png n ARG 7 Ca -0.10 -1.41 -0.42 0.00 -0.00 0.00 0.00 57.85 55.92 2png n ARG 7 Cb 0.51 -0.90 -0.03 0.00 -0.00 0.00 0.00 32.46 32.05 2png n ARG 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2png s ASP 8 N -4.25 6.18 0.62 2.89 1.11 -1.26 -4.81 116.67 117.15 2png s ASP 8 Ca 0.50 2.31 0.40 0.00 0.18 0.00 0.00 52.55 55.95 2png s ASP 8 Cb -0.01 -2.53 2.02 0.00 1.07 0.00 0.00 42.92 43.47 2png s ASP 8 CO 0.35 -1.32 2.23 -0.07 1.18 0.00 0.00 175.17 177.54 2png h LEU 9 N 11.96 0.00 -1.17 1.23 3.38 -1.87 -0.56 115.31 128.28 2png h LEU 9 Ca -0.45 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 2png h LEU 9 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2png h LEU 9 CO 0.95 0.01 -0.26 0.58 0.09 0.00 0.00 178.44 179.81 2png h VAL 10 N 0.00 1.24 0.00 1.22 2.07 -1.84 0.37 116.25 119.30 2png h VAL 10 Ca -0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2png h VAL 10 Cb 0.18 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2png h VAL 10 CO 0.00 0.35 0.00 0.11 0.02 0.00 0.00 177.57 178.05 2png h LYS 11 N 0.23 0.00 0.00 1.57 1.79 -1.46 -0.86 116.57 117.84 2png h LYS 11 Ca 0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2png h LYS 11 Cb 0.59 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2png h LYS 11 CO 0.04 0.00 -0.72 0.00 -1.08 0.00 0.00 179.45 177.69 2png n ALA 12 N -1.82 1.54 -0.13 3.86 0.00 -0.86 -4.32 120.51 118.78 2png n ALA 12 Ca 0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.79 2png n ALA 12 Cb 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.69 1.19 0.00 0.00 2.07 -0.33 -1.95 116.25 116.54 2png h VAL 13 Ca -0.01 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 2png h VAL 13 Cb 0.71 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2png h VAL 13 CO -0.01 0.21 -0.47 0.00 0.02 0.00 0.00 177.57 177.32 2png h ALA 14 N 1.00 1.01 0.00 1.67 0.00 -1.31 -2.40 119.26 119.22 2png h ALA 14 Ca 0.13 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2png h ALA 14 Cb 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2png h ALA 14 CO -0.01 0.59 -0.13 1.25 0.00 0.00 0.00 179.25 180.95 2png h HIS 15 N 0.00 0.00 -0.44 0.00 6.17 -1.27 0.33 115.15 119.94 2png h HIS 15 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 60.96 2png h HIS 15 Cb 0.96 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.88 2png h HIS 15 CO 0.00 0.13 -0.19 0.82 0.71 0.00 0.00 177.93 179.39 2png h ILE 16 N 0.00 1.27 0.08 6.26 1.08 -0.84 -3.20 117.51 122.17 2png h ILE 16 Ca -0.00 -1.34 -0.26 0.00 -0.39 0.00 0.00 64.86 62.87 2png h ILE 16 Cb 0.61 1.21 0.01 0.00 -3.07 0.00 0.00 36.82 35.58 2png h ILE 16 CO 0.02 0.46 -1.13 -0.07 -0.69 0.00 0.00 178.15 176.73 2png h LEU 17 N 0.73 0.50 0.00 1.44 3.38 -1.32 -3.48 115.31 116.57 2png h LEU 17 Ca 0.10 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2png h LEU 17 Cb 0.76 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2png h LEU 17 CO 0.06 1.33 0.00 0.61 0.09 0.00 0.00 178.44 180.53 2png n GLY 18 N 1.29 1.87 3.57 0.83 0.00 0.79 -5.12 105.19 108.42 2png n GLY 18 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 0.74 0.00 -0.61 -4.36 0.79 -4.96 121.20 110.81 2png s ILE 19 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2png s ILE 19 Cb 0.00 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.39 2png s ILE 19 CO 0.00 0.00 0.00 -1.14 0.24 0.00 0.00 174.94 174.04 2png n ARG 20 N -0.98 0.00 -0.11 0.37 0.00 -1.26 -2.94 116.66 111.73 2png n ARG 20 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.66 2png n ARG 20 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.09 2png n ARG 20 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 2png h ASP 21 N 0.00 0.51 -0.44 6.15 2.03 -1.98 -3.47 116.42 119.23 2png h ASP 21 Ca 0.00 -0.24 -0.19 0.00 -0.73 0.00 0.00 57.03 55.87 2png h ASP 21 Cb 0.00 -0.14 -0.08 0.00 -0.83 0.00 0.00 39.33 38.29 2png h ASP 21 CO 0.00 0.63 -0.17 0.18 -1.03 0.00 0.00 179.24 178.84 2png n LEU 22 N -4.62 -0.43 -4.55 0.15 7.99 -1.26 -4.90 117.00 109.39 2png n LEU 22 Ca -0.02 0.23 -0.42 0.00 -0.01 0.00 0.00 56.01 55.79 2png n LEU 22 Cb 0.20 -2.05 -0.02 0.00 -0.11 0.00 0.00 43.42 41.44 2png n LEU 22 CO 0.38 -0.74 1.56 0.00 -1.51 0.00 0.00 177.39 177.08 2png s ALA 23 N -2.09 3.02 0.00 -1.18 0.00 -1.26 -2.07 121.76 118.18 2png s ALA 23 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 51.96 49.40 2png s ALA 23 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2png s ALA 23 CO 0.00 -3.42 0.00 0.41 0.00 0.00 0.00 175.76 172.75 2png n GLY 24 N 6.18 1.32 3.73 0.00 0.00 -1.26 -5.10 105.19 110.06 2png n GLY 24 Ca 0.37 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.51 4.70 0.13 -0.61 -1.09 -0.88 -5.07 121.20 116.88 2png s ILE 25 Ca 0.00 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.02 2png s ILE 25 Cb 0.00 -3.01 -0.06 0.00 -1.58 0.00 0.00 42.46 37.80 2png s ILE 25 CO 0.00 0.60 1.02 0.20 -1.23 0.00 0.00 174.94 175.52 2png s ASN 26 N -0.81 7.41 0.00 3.58 0.02 -1.26 -4.90 114.94 118.97 2png s ASN 26 Ca 0.13 1.90 0.15 0.00 -1.02 0.00 0.00 52.86 54.02 2png s ASN 26 Cb -0.12 -2.59 0.50 0.00 0.02 0.00 0.00 41.25 39.06 2png s ASN 26 CO 0.03 -0.13 1.38 0.18 0.02 0.00 0.00 177.10 178.58 2png n LEU 27 N 2.68 1.81 -0.32 0.60 4.77 -1.26 -3.26 117.00 122.02 2png n LEU 27 Ca 0.03 -0.85 0.05 0.00 -0.03 0.00 0.00 56.01 55.21 2png n LEU 27 Cb 0.48 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2png n LEU 27 CO 0.52 0.42 0.32 0.47 -1.33 0.00 0.00 177.39 177.79 2png n ASP 28 N 0.45 1.54 -4.71 -1.43 8.00 -1.26 -4.72 116.55 114.41 2png n ASP 28 Ca 0.14 -1.27 -0.42 0.00 0.71 0.00 0.00 54.79 53.95 2png n ASP 28 Cb 0.31 0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 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 -1.06 7.29 0.86 -2.24 0.01 -1.20 -4.97 113.70 112.39 2png s SER 29 Ca 0.10 1.57 -0.11 0.00 1.31 0.00 0.00 55.95 58.81 2png s SER 29 Cb 0.08 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.88 2png s SER 29 CO 0.18 -0.24 1.09 -0.44 0.41 0.00 0.00 173.24 174.24 2png s SER 30 N 0.97 3.76 0.47 2.44 0.01 -1.26 -4.04 113.70 116.06 2png s SER 30 Ca 0.49 1.57 0.23 0.00 1.31 0.00 0.00 55.95 59.55 2png s SER 30 Cb -0.20 -2.26 1.18 0.00 0.21 0.00 0.00 66.02 64.95 2png s SER 30 CO 0.26 -2.47 1.98 0.25 0.41 0.00 0.00 173.24 173.67 2png h LEU 31 N -1.43 0.00 -0.75 2.44 5.85 -0.70 -0.60 115.31 120.12 2png h LEU 31 Ca -0.48 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.14 2png h LEU 31 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2png h LEU 31 CO 0.54 0.19 -0.48 0.00 -0.34 0.00 0.00 178.44 178.35 2png h ALA 32 N 1.81 0.92 -0.17 1.25 0.00 -1.85 -0.95 119.26 120.27 2png h ALA 32 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2png h ALA 32 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2png h ALA 32 CO 0.03 0.60 0.02 -0.44 0.00 0.00 0.00 179.25 179.45 2png h ASP 33 N 0.00 0.29 -0.12 0.00 5.19 -1.43 -3.16 116.42 117.18 2png h ASP 33 Ca -0.00 -0.28 0.03 0.00 -0.62 0.00 0.00 57.03 56.15 2png h ASP 33 Cb 1.04 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.45 2png h ASP 33 CO 0.06 0.49 -0.03 -0.07 -3.12 0.00 0.00 179.24 176.57 2png h LEU 34 N 0.07 -0.12 0.00 1.55 4.07 -1.32 -3.46 115.31 116.09 2png h LEU 34 Ca 0.05 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2png h LEU 34 Cb 0.34 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2png h LEU 34 CO 0.01 -0.04 0.00 0.61 -1.08 0.00 0.00 178.44 177.93 2png n GLY 35 N -1.16 0.00 3.62 0.83 0.00 -0.50 -5.10 105.19 102.88 2png n GLY 35 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 3.76 0.00 0.99 2.96 -0.48 -4.70 118.68 121.21 2png s LEU 36 Ca 0.00 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 2png s LEU 36 Cb 0.00 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.17 2png s LEU 36 CO 0.00 -1.62 0.00 -0.90 -1.32 0.00 0.00 176.35 172.51 2png n ASP 37 N 10.13 2.73 0.04 3.68 5.75 -1.26 -4.75 116.55 132.87 2png n ASP 37 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 2png n ASP 37 Cb 0.44 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 2png n ASP 37 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2png n SER 38 N -1.56 -0.68 -0.26 -1.12 2.88 -1.26 -4.96 113.62 106.65 2png n SER 38 Ca 0.00 0.15 0.05 0.00 -1.33 0.00 0.00 58.87 57.74 2png n SER 38 Cb 0.29 1.04 0.29 0.00 -0.75 0.00 0.00 64.21 65.08 2png n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2png h LEU 39 N 0.00 0.81 0.00 2.46 5.85 -1.97 0.01 115.31 122.47 2png h LEU 39 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2png h LEU 39 Cb 0.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2png h LEU 39 CO 0.00 0.52 0.00 0.23 -0.34 0.00 0.00 178.44 178.85 2png n MET 40 N -4.49 0.54 -0.04 1.25 2.81 -1.26 0.10 117.12 116.03 2png n MET 40 Ca 0.13 0.01 -0.05 0.00 -1.81 0.00 0.00 57.70 55.97 2png n MET 40 Cb 0.21 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.17 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 0.15 -0.28 0.13 3.03 0.00 -0.11 -4.47 105.19 103.64 2png n GLY 41 Ca 0.13 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 1.44 -0.56 1.61 2.07 -0.55 -2.12 116.25 118.14 2png h VAL 42 Ca -0.22 -1.81 0.06 0.00 0.82 0.00 0.00 66.70 65.55 2png h VAL 42 Cb 1.43 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 33.57 2png h VAL 42 CO -0.01 0.52 0.26 -0.08 0.02 0.00 0.00 177.57 178.28 2png h GLU 43 N -0.18 0.48 0.01 1.57 4.57 -0.60 0.13 114.58 120.55 2png h GLU 43 Ca -0.03 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2png h GLU 43 Cb 1.03 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2png h GLU 43 CO 0.07 0.32 -0.00 0.28 -1.18 0.00 0.00 179.01 178.50 2png h VAL 44 N 0.49 1.09 -0.02 0.32 2.07 -1.75 -2.68 116.25 115.78 2png h VAL 44 Ca 0.26 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 2png h VAL 44 Cb 0.21 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2png h VAL 44 CO -0.20 0.08 -0.27 0.03 0.02 0.00 0.00 177.57 177.22 2png h ARG 45 N -0.13 0.04 -0.13 1.57 3.08 -0.78 0.18 114.38 118.20 2png h ARG 45 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2png h ARG 45 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2png h ARG 45 CO 0.00 0.30 0.00 1.04 -1.07 0.00 0.00 179.97 180.25 2png n GLN 46 N -4.21 1.33 -0.04 0.04 6.02 0.39 -1.50 117.38 119.41 2png n GLN 46 Ca -0.02 -0.51 -0.09 0.00 -0.01 0.00 0.00 57.00 56.38 2png n GLN 46 Cb 0.33 -1.14 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 2png n GLN 46 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2png n ILE 47 N -0.11 1.13 -0.05 5.09 5.41 -0.27 -4.39 119.36 126.17 2png n ILE 47 Ca 0.06 0.08 -0.12 0.00 1.00 0.00 0.00 62.75 63.77 2png n ILE 47 Cb 0.13 -1.86 -0.06 0.00 -0.71 0.00 0.00 39.64 37.13 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 -0.50 0.27 -0.91 1.39 -0.00 -1.09 -0.35 115.31 114.12 2png h LEU 48 Ca -0.14 -0.35 -0.11 0.00 -0.00 0.00 0.00 57.88 57.27 2png h LEU 48 Cb 0.83 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.40 2png h LEU 48 CO -0.09 0.56 -0.54 -0.33 -0.00 0.00 0.00 178.44 178.04 2png h GLU 49 N -0.02 0.00 0.33 1.13 5.08 -0.85 -0.46 114.58 119.79 2png h GLU 49 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2png h GLU 49 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2png h GLU 49 CO 0.01 0.54 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.31 2png h ARG 50 N 0.00 -0.43 0.00 2.33 9.65 -1.61 -2.54 114.38 121.79 2png h ARG 50 Ca -0.01 0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.79 2png h ARG 50 Cb 0.97 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 2png h ARG 50 CO 0.07 -0.10 -0.63 0.93 2.80 0.00 0.00 179.97 183.04 2png h GLU 51 N -0.83 0.00 -0.11 0.20 4.39 -1.10 -3.40 114.58 113.73 2png h GLU 51 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2png h GLU 51 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2png h GLU 51 CO 0.07 0.99 0.00 1.58 -1.16 0.00 0.00 179.01 180.49 2png n HIS 52 N -4.52 0.12 -1.76 4.33 -0.00 -0.32 -4.93 115.22 108.14 2png n HIS 52 Ca -0.21 -0.09 -0.20 0.00 0.46 0.00 0.00 57.72 57.67 2png n HIS 52 Cb 0.58 -0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.37 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 0.88 -5.46 -4.52 0.26 8.00 -0.74 -4.90 116.55 110.07 2png n ASP 53 Ca 0.10 0.40 -0.43 0.00 0.71 0.00 0.00 54.79 55.57 2png n ASP 53 Cb 0.41 -4.77 -0.05 0.00 -0.02 0.00 0.00 41.12 36.68 2png n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2png s LEU 54 N -4.97 4.27 -0.54 0.64 2.96 -0.38 -4.79 118.68 115.87 2png s LEU 54 Ca 0.00 -0.32 -0.23 0.00 -0.22 0.00 0.00 54.13 53.36 2png s LEU 54 Cb 0.00 -2.84 0.05 0.00 0.50 0.00 0.00 46.19 43.90 2png s LEU 54 CO 0.00 -1.06 0.87 -0.69 -1.32 0.00 0.00 176.35 174.15 2png s VAL 55 N 3.52 4.50 -0.34 1.68 1.01 -1.26 -2.31 120.40 127.20 2png s VAL 55 Ca 0.28 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.36 2png s VAL 55 Cb -0.13 -4.49 0.09 0.00 0.00 0.00 0.00 36.38 31.85 2png s VAL 55 CO 0.20 -1.05 0.06 -0.76 0.00 0.00 0.00 175.10 173.55 2png s LEU 56 N 3.64 4.51 0.84 3.92 1.43 -1.26 -5.09 118.68 126.68 2png s LEU 56 Ca 0.27 -1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 51.44 2png s LEU 56 Cb -0.14 -1.69 0.10 0.00 0.03 0.00 0.00 46.19 44.49 2png s LEU 56 CO 0.17 -0.37 1.09 -2.84 0.23 0.00 0.00 176.35 174.64 2png s PRO 57 N 1.07 1.68 0.65 1.29 0.02 -1.26 -4.74 135.00 133.72 2png s PRO 57 Ca 0.04 0.80 0.43 0.00 0.02 0.00 0.00 61.00 62.29 2png s PRO 57 Cb -0.20 -1.86 2.29 0.00 0.02 0.00 0.00 34.50 34.75 2png s PRO 57 CO -0.05 -1.94 2.33 0.82 -0.33 0.00 0.00 177.00 177.83 2png h ILE 58 N -1.33 0.02 -0.68 2.83 5.03 -1.95 0.11 117.51 121.54 2png h ILE 58 Ca -0.48 -0.07 0.13 0.00 -0.12 0.00 0.00 64.86 64.32 2png h ILE 58 Cb 1.27 1.07 -0.04 0.00 -3.03 0.00 0.00 36.82 36.08 2png h ILE 58 CO 0.56 0.00 0.46 0.03 -0.68 0.00 0.00 178.15 178.52 2png h ARG 59 N 0.00 0.38 0.00 2.37 -0.00 -2.01 0.16 114.38 115.28 2png h ARG 59 Ca -0.00 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.98 59.32 2png h ARG 59 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 29.97 29.92 2png h ARG 59 CO 0.00 0.25 -1.77 0.39 0.00 0.00 0.00 179.97 178.84 2png n GLU 60 N -4.47 1.30 0.15 0.04 1.02 -0.12 -4.50 120.64 114.06 2png n GLU 60 Ca 0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2png n GLU 60 Cb 0.47 -1.33 0.23 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.00 1.36 0.00 2.62 2.07 -0.65 -3.10 116.25 118.55 2png h VAL 61 Ca -0.20 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 2png h VAL 61 Cb 1.31 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2png h VAL 61 CO 0.01 0.53 -0.03 -0.09 0.02 0.00 0.00 177.57 178.00 2png h ARG 62 N 0.00 0.00 -0.48 1.57 2.43 -0.93 -1.24 114.38 115.73 2png h ARG 62 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2png h ARG 62 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2png h ARG 62 CO 0.07 0.03 0.00 0.00 -1.51 0.00 0.00 179.97 178.56 2png n GLN 63 N -3.28 3.56 -2.11 0.20 0.00 -1.17 -0.51 117.38 114.07 2png n GLN 63 Ca -0.02 -2.79 -0.36 0.00 0.00 0.00 0.00 57.00 53.83 2png n GLN 63 Cb 0.18 -1.84 -0.03 0.00 0.00 0.00 0.00 30.24 28.54 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 -2.13 3.25 0.00 2.61 1.43 -0.47 -4.74 118.68 118.64 2png s LEU 64 Ca 0.45 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 2png s LEU 64 Cb 0.31 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 2png s LEU 64 CO 0.17 -2.38 2.30 0.35 0.23 0.00 0.00 176.35 177.03 2png n THR 65 N 7.28 2.15 0.00 5.49 -2.24 -1.26 -3.02 114.28 122.68 2png n THR 65 Ca 0.24 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2png n THR 65 Cb 0.51 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 2png n THR 65 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2png n LEU 66 N 1.77 0.00 0.16 3.22 -0.00 -1.26 -3.93 117.00 116.95 2png n LEU 66 Ca 0.10 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.24 2png n LEU 66 Cb 0.58 0.00 0.41 0.00 -0.00 0.00 0.00 43.42 44.41 2png n LEU 66 CO 0.03 0.00 0.88 0.03 -0.00 0.00 0.00 177.39 178.33 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.88 -1.73 114.38 115.20 2png h ARG 67 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2png h ARG 67 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2png h ARG 67 CO 0.00 0.00 -0.05 -0.22 0.56 0.00 0.00 179.97 180.26 2png h LYS 68 N 0.00 0.00 -0.07 0.04 3.64 -1.90 -1.83 116.57 116.46 2png h LYS 68 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2png h LYS 68 Cb 0.68 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2png h LYS 68 CO 0.00 0.05 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.08 2png h LEU 69 N 0.00 0.09 -1.67 5.20 -0.00 -1.64 0.16 115.31 117.45 2png h LEU 69 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2png h LEU 69 Cb 0.39 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2png h LEU 69 CO 0.01 0.18 0.00 0.00 -0.00 0.00 0.00 178.44 178.62 2png n GLN 70 N -4.40 2.07 -0.03 1.13 10.64 -0.69 -2.02 117.38 124.08 2png n GLN 70 Ca -0.02 -1.64 0.05 0.00 -1.83 0.00 0.00 57.00 53.56 2png n GLN 70 Cb 0.18 -1.41 -0.13 0.00 -0.86 0.00 0.00 30.24 28.02 2png n GLN 70 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2png n GLU 71 N 0.84 0.73 -0.31 2.61 -0.58 -0.23 -4.33 120.64 119.37 2png n GLU 71 Ca 0.17 -0.12 0.09 0.00 -0.42 0.00 0.00 57.16 56.88 2png n GLU 71 Cb 0.42 -1.42 0.22 0.00 -0.57 0.00 0.00 31.44 30.09 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2png n MET 72 N -2.23 2.34 0.00 3.49 2.81 -0.13 -4.70 117.12 118.70 2png n MET 72 Ca -0.09 -2.75 0.07 0.00 -1.81 0.00 0.00 57.70 53.12 2png n MET 72 Cb 0.60 -1.72 0.32 0.00 -0.71 0.00 0.00 33.22 31.71 2png n MET 72 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2png n SER 73 N -0.84 0.00 -1.55 7.83 3.41 -0.86 -4.85 113.62 116.76 2png n SER 73 Ca 0.19 0.45 -0.20 0.00 -0.26 0.00 0.00 58.87 59.06 2png n SER 73 Cb 0.80 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 64.19 2png n SER 73 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2png n SER 74 N -1.48 -5.26 -4.69 4.04 7.64 -1.26 -4.48 113.62 108.13 2png n SER 74 Ca 0.04 0.48 -0.42 0.00 1.01 0.00 0.00 58.87 59.98 2png n SER 74 Cb 0.17 -4.63 -0.03 0.00 -1.01 0.00 0.00 64.21 58.71 2png n SER 74 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2png s LYS 75 N -3.66 4.42 0.27 1.43 -2.85 -1.26 -4.60 119.74 113.49 2png s LYS 75 Ca 0.00 1.54 -0.21 0.00 -1.00 0.00 0.00 55.97 56.30 2png s LYS 75 Cb 0.00 -3.51 0.04 0.00 -2.06 0.00 0.00 37.83 32.30 2png s LYS 75 CO 0.00 -0.31 0.81 0.00 0.10 0.00 0.00 175.35 175.95 2png s ALA 76 N 1.78 -1.25 0.00 0.59 0.00 -1.25 -4.79 121.76 116.84 2png s ALA 76 Ca 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2png s ALA 76 Cb -0.22 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.66 2png s ALA 76 CO 0.23 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2png n GLY 77 N -0.49 1.18 0.08 0.00 0.00 -1.06 -4.66 105.19 100.25 2png n GLY 77 Ca -0.05 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 2png n GLY 77 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2png h SER 78 N 0.00 0.12 -4.00 1.61 0.87 -1.99 -3.43 113.55 106.73 2png h SER 78 Ca 0.00 -0.15 -0.69 0.00 -1.23 0.00 0.00 61.79 59.73 2png h SER 78 Cb 0.00 -0.04 -0.26 0.00 -0.44 0.00 0.00 62.40 61.66 2png h SER 78 CO 0.00 1.12 -0.80 -0.62 -0.53 0.00 0.00 176.83 176.00 2png s ASP 79 N -6.71 3.78 -0.07 6.23 -1.08 -1.26 -4.84 116.67 112.73 2png s ASP 79 Ca -0.02 -0.29 -0.01 0.00 -0.52 0.00 0.00 52.55 51.71 2png s ASP 79 Cb 0.09 -0.90 0.00 0.00 -1.46 0.00 0.00 42.92 40.65 2png s ASP 79 CO 0.83 0.30 0.02 0.41 0.52 0.00 0.00 175.17 177.26 2png n THR 80 N 2.59 -3.99 -3.62 1.71 -1.04 -1.26 -3.85 114.28 104.81 2png n THR 80 Ca -0.17 0.34 -0.39 0.00 -2.04 0.00 0.00 64.05 61.79 2png n THR 80 Cb 0.52 -4.61 -0.11 0.00 -1.82 0.00 0.00 70.33 64.31 2png n THR 80 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2png s GLU 81 N -0.51 3.36 -0.18 -2.82 2.02 -1.26 -2.55 118.70 116.76 2png s GLU 81 Ca 0.01 -0.71 -0.18 0.00 0.02 0.00 0.00 54.97 54.10 2png s GLU 81 Cb -0.00 -3.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 2png s GLU 81 CO 0.16 -0.44 0.51 -0.51 0.02 0.00 0.00 175.26 175.00 2png s LEU 82 N 1.64 4.18 0.38 1.80 1.02 -1.26 -5.05 118.68 121.39 2png s LEU 82 Ca 0.05 0.72 -0.21 0.00 0.02 0.00 0.00 54.13 54.70 2png s LEU 82 Cb -0.17 -2.71 -0.10 0.00 0.02 0.00 0.00 46.19 43.22 2png s LEU 82 CO 0.07 -0.13 0.91 0.00 0.02 0.00 0.00 176.35 177.22 2png s ALA 83 N 1.36 3.13 0.06 4.21 0.00 -1.26 -4.98 121.76 124.28 2png s ALA 83 Ca 0.25 0.38 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 2png s ALA 83 Cb -0.15 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 2png s ALA 83 CO 0.10 0.17 1.55 0.00 0.00 0.00 0.00 175.76 177.58 2png s ALA 84 N -1.98 3.66 0.58 0.00 0.00 -1.26 -4.96 121.76 117.79 2png s ALA 84 Ca 0.57 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 53.45 2png s ALA 84 Cb -0.12 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 2png s ALA 84 CO 0.17 -0.98 1.12 -2.30 0.00 0.00 0.00 175.76 173.76 2png n PRO 85 N 5.26 1.18 -1.43 0.00 -0.02 -1.26 -4.73 135.00 134.00 2png n PRO 85 Ca 0.15 0.45 -0.47 0.00 -2.02 0.00 0.00 63.50 61.60 2png n PRO 85 Cb 0.41 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.47 2png n PRO 85 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2png n LYS 86 N -1.02 0.34 0.00 -0.52 4.81 -1.26 -4.68 118.16 115.83 2png n LYS 86 Ca 0.13 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2png n LYS 86 Cb 0.46 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.57 2png n LYS 86 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2png n SER 87 N 10.27 0.77 -4.88 3.14 7.64 -1.26 -5.04 113.62 124.27 2png n SER 87 Ca 0.55 -0.32 -0.30 0.00 1.01 0.00 0.00 58.87 59.81 2png n SER 87 Cb 0.12 0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 64.09 2png n SER 87 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2png s LYS 88 N -0.94 3.67 0.00 1.43 -2.85 -1.26 -5.29 119.74 114.49 2png s LYS 88 Ca 0.00 0.60 0.00 0.00 -1.00 0.00 0.00 55.97 55.57 2png s LYS 88 Cb 0.00 -2.21 0.00 0.00 -2.06 0.00 0.00 37.83 33.56 2png s LYS 88 CO 0.00 -0.35 0.18 0.09 0.10 0.00 0.00 175.35 175.37