#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 6.43 0.00 1.61 -1.08 -1.26 -4.48 116.67 117.89 2png s ASP 2 Ca 0.00 0.51 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 2png s ASP 2 Cb 0.00 -2.14 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 2png s ASP 2 CO 0.00 0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.55 2png n GLY 3 N 2.75 1.00 3.60 2.66 0.00 -1.26 -5.06 105.19 108.88 2png n GLY 3 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2png n GLY 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2png s GLU 4 N 0.00 3.53 -0.62 1.61 0.41 -1.26 -4.94 118.70 117.43 2png s GLU 4 Ca 0.00 1.08 -0.16 0.00 -0.41 0.00 0.00 54.97 55.48 2png s GLU 4 Cb 0.00 -4.06 0.14 0.00 -1.78 0.00 0.00 34.13 28.43 2png s GLU 4 CO 0.00 -1.62 0.62 0.00 -0.49 0.00 0.00 175.26 173.77 2png s ALA 5 N 5.75 3.67 0.29 5.21 0.00 -1.26 -5.03 121.76 130.39 2png s ALA 5 Ca 0.66 -2.63 -0.15 0.00 0.00 0.00 0.00 51.96 49.84 2png s ALA 5 Cb -0.16 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 2png s ALA 5 CO 0.33 -2.17 0.71 -1.14 0.00 0.00 0.00 175.76 173.49 2png s GLN 6 N 1.60 4.03 0.44 0.00 0.74 -1.26 -5.09 119.66 120.13 2png s GLN 6 Ca 0.09 0.67 0.07 0.00 0.05 0.00 0.00 55.36 56.23 2png s GLN 6 Cb -0.24 -2.55 -0.02 0.00 1.10 0.00 0.00 33.01 31.31 2png s GLN 6 CO 0.01 0.22 0.34 -0.98 -0.55 0.00 0.00 175.29 174.33 2png s ARG 7 N -2.75 2.39 0.53 1.67 1.70 -1.26 -5.08 118.95 116.15 2png s ARG 7 Ca 0.51 -1.72 -0.22 0.00 -0.47 0.00 0.00 55.73 53.84 2png s ARG 7 Cb -0.12 -2.22 -0.05 0.00 -0.57 0.00 0.00 34.95 31.99 2png s ARG 7 CO 0.18 -0.27 1.27 -0.51 -1.08 0.00 0.00 175.30 174.90 2png s ASP 8 N -4.11 5.51 0.29 -2.89 1.01 -1.26 -4.90 116.67 110.32 2png s ASP 8 Ca 0.44 2.56 0.07 0.00 0.71 0.00 0.00 52.55 56.33 2png s ASP 8 Cb -0.01 -2.62 0.45 0.00 1.01 0.00 0.00 42.92 41.75 2png s ASP 8 CO 0.25 -1.39 1.69 -0.07 0.21 0.00 0.00 175.17 175.87 2png h LEU 9 N 1.53 0.23 -0.26 1.23 4.07 -1.96 -0.58 115.31 119.56 2png h LEU 9 Ca -0.50 -0.10 -0.06 0.00 0.08 0.00 0.00 57.88 57.29 2png h LEU 9 Cb 1.28 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 2png h LEU 9 CO 0.58 0.64 -0.30 0.58 -1.08 0.00 0.00 178.44 178.85 2png h VAL 10 N 0.18 0.55 -0.11 1.22 2.07 -1.90 0.35 116.25 118.61 2png h VAL 10 Ca 0.01 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.90 2png h VAL 10 Cb 0.84 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2png h VAL 10 CO 0.07 0.29 0.00 0.29 0.02 0.00 0.00 177.57 178.24 2png n LYS 11 N -3.22 1.39 0.00 1.57 4.76 -0.30 -2.50 118.16 119.85 2png n LYS 11 Ca 0.02 -0.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.87 2png n LYS 11 Cb 0.61 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 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 -0.14 2.04 0.28 7.82 0.00 -0.75 -4.49 120.51 125.28 2png n ALA 12 Ca 0.12 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 2png n ALA 12 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 0.51 -0.14 0.00 2.07 -1.07 -0.11 116.25 117.51 2png h VAL 13 Ca 0.00 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 2png h VAL 13 Cb 0.00 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2png h VAL 13 CO 0.00 0.01 -0.35 0.00 0.02 0.00 0.00 177.57 177.26 2png h ALA 14 N -0.21 1.17 0.00 1.67 0.00 -1.65 -2.38 119.26 117.86 2png h ALA 14 Ca -0.07 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2png h ALA 14 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2png h ALA 14 CO 0.11 0.55 -0.24 1.25 0.00 0.00 0.00 179.25 180.92 2png h HIS 15 N 0.24 0.00 -0.12 0.00 6.17 -1.14 0.29 115.15 120.59 2png h HIS 15 Ca 0.03 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.10 2png h HIS 15 Cb 0.73 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.65 2png h HIS 15 CO 0.01 0.24 0.04 0.82 0.71 0.00 0.00 177.93 179.76 2png h ILE 16 N 0.00 1.15 -0.51 6.26 1.08 -0.48 -3.06 117.51 121.96 2png h ILE 16 Ca -0.00 -0.46 -0.10 0.00 -0.39 0.00 0.00 64.86 63.91 2png h ILE 16 Cb 0.57 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 2png h ILE 16 CO 0.03 0.14 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.47 2png h LEU 17 N 0.03 0.97 0.00 1.44 3.38 -1.31 -3.47 115.31 116.34 2png h LEU 17 Ca 0.04 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2png h LEU 17 Cb 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2png h LEU 17 CO -0.00 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.22 2png n GLY 18 N -0.27 1.86 3.25 0.83 0.00 0.71 -5.13 105.19 106.44 2png n GLY 18 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 1.36 0.00 -0.61 -4.36 0.50 -4.96 121.20 111.13 2png s ILE 19 Ca 0.00 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 2png s ILE 19 Cb 0.00 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 42.16 2png s ILE 19 CO 0.00 -0.41 0.00 -1.14 0.24 0.00 0.00 174.94 173.63 2png n ARG 20 N 0.51 0.00 -0.02 0.37 0.63 -1.26 -2.50 116.66 114.38 2png n ARG 20 Ca -0.15 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.61 2png n ARG 20 Cb 0.57 -0.04 -0.06 0.00 0.45 0.00 0.00 32.46 33.38 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 0.92 -1.65 6.15 3.32 -1.97 -3.47 116.42 119.71 2png h ASP 21 Ca 0.00 -0.59 -0.22 0.00 0.02 0.00 0.00 57.03 56.24 2png h ASP 21 Cb 0.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2png h ASP 21 CO 0.00 1.39 -0.29 0.18 -1.72 0.00 0.00 179.24 178.80 2png n LEU 22 N -3.94 -1.55 -4.56 1.55 7.99 -1.26 -4.92 117.00 110.32 2png n LEU 22 Ca -0.07 -0.02 -0.39 0.00 -0.01 0.00 0.00 56.01 55.52 2png n LEU 22 Cb 0.73 -1.81 -0.03 0.00 -0.11 0.00 0.00 43.42 42.20 2png n LEU 22 CO 0.52 -0.10 1.47 0.00 -1.51 0.00 0.00 177.39 177.77 2png s ALA 23 N -2.58 2.56 0.00 -1.18 0.00 -1.26 -2.94 121.76 116.37 2png s ALA 23 Ca 0.01 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.81 2png s ALA 23 Cb -0.00 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2png s ALA 23 CO 0.01 -3.79 0.00 0.41 0.00 0.00 0.00 175.76 172.39 2png n GLY 24 N 6.86 1.23 3.42 0.00 0.00 -1.26 -5.07 105.19 110.37 2png n GLY 24 Ca 0.34 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.09 2.89 -0.41 -0.61 -1.09 -1.15 -5.05 121.20 113.69 2png s ILE 25 Ca 0.00 -0.77 -0.27 0.00 -2.23 0.00 0.00 60.65 57.38 2png s ILE 25 Cb 0.00 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 2png s ILE 25 CO 0.00 0.57 2.08 0.20 -1.23 0.00 0.00 174.94 176.56 2png s ASN 26 N -0.44 5.26 0.32 3.58 0.01 -1.26 -4.77 114.94 117.64 2png s ASN 26 Ca 0.05 1.18 0.25 0.00 -0.71 0.00 0.00 52.86 53.63 2png s ASN 26 Cb -0.12 -2.52 0.59 0.00 0.41 0.00 0.00 41.25 39.62 2png s ASN 26 CO 0.02 -2.23 1.70 -0.07 -1.51 0.00 0.00 177.10 175.01 2png h LEU 27 N 16.22 0.00 -0.36 0.60 3.38 -1.97 -3.05 115.31 130.14 2png h LEU 27 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2png h LEU 27 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2png h LEU 27 CO 1.09 0.00 0.00 -0.78 0.09 0.00 0.00 178.44 178.84 2png h ASP 28 N 0.00 0.00 -3.35 -0.43 3.58 -2.02 -3.39 116.42 110.81 2png h ASP 28 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2png h ASP 28 Cb 0.86 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.84 2png h ASP 28 CO 0.00 0.00 0.21 -0.44 -2.88 0.00 0.00 179.24 176.13 2png s SER 29 N -4.68 6.92 0.69 2.28 0.01 -1.15 -5.03 113.70 112.72 2png s SER 29 Ca 0.07 1.11 -0.15 0.00 1.31 0.00 0.00 55.95 58.29 2png s SER 29 Cb 0.10 -2.42 0.02 0.00 0.21 0.00 0.00 66.02 63.93 2png s SER 29 CO 0.53 -0.26 1.16 -0.44 0.41 0.00 0.00 173.24 174.64 2png s SER 30 N 1.03 4.69 0.66 2.44 0.01 -1.26 -3.83 113.70 117.43 2png s SER 30 Ca 0.36 2.18 0.43 0.00 1.31 0.00 0.00 55.95 60.23 2png s SER 30 Cb -0.17 -2.57 2.33 0.00 0.21 0.00 0.00 66.02 65.82 2png s SER 30 CO 0.14 -1.92 2.34 -0.07 0.41 0.00 0.00 173.24 174.15 2png h LEU 31 N -0.07 0.00 -0.24 2.44 3.38 0.15 0.12 115.31 121.08 2png h LEU 31 Ca -0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 2png h LEU 31 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2png h LEU 31 CO 0.52 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.82 2png h ALA 32 N 2.00 0.87 -0.07 1.53 0.00 -1.23 0.19 119.26 122.55 2png h ALA 32 Ca -0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 2png h ALA 32 Cb 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2png h ALA 32 CO 0.00 0.29 -0.85 0.22 0.00 0.00 0.00 179.25 178.90 2png h ASP 33 N 0.00 0.74 0.06 0.00 3.58 -1.03 -3.07 116.42 116.70 2png h ASP 33 Ca -0.00 -0.53 -0.00 0.00 0.42 0.00 0.00 57.03 56.92 2png h ASP 33 Cb 1.09 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2png h ASP 33 CO 0.03 1.31 -0.03 -0.07 -2.88 0.00 0.00 179.24 177.61 2png h LEU 34 N 0.39 -0.06 0.00 2.28 4.07 -1.43 -3.49 115.31 117.06 2png h LEU 34 Ca -0.07 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2png h LEU 34 Cb 1.47 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.23 2png h LEU 34 CO 0.16 0.21 0.00 0.61 -1.08 0.00 0.00 178.44 178.34 2png n GLY 35 N -0.40 0.86 3.75 0.83 0.00 0.64 -5.07 105.19 105.79 2png n GLY 35 Ca -0.08 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 2png n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2png s LEU 36 N 0.00 4.43 0.00 0.99 0.05 -1.07 -4.84 118.68 118.24 2png s LEU 36 Ca 0.00 1.36 0.00 0.00 0.05 0.00 0.00 54.13 55.54 2png s LEU 36 Cb 0.00 -3.15 0.00 0.00 -2.05 0.00 0.00 46.19 40.99 2png s LEU 36 CO 0.00 0.02 0.00 -0.67 -0.55 0.00 0.00 176.35 175.15 2png n ASP 37 N 2.87 0.00 0.00 1.48 2.03 -1.26 -4.87 116.55 116.80 2png n ASP 37 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2png n ASP 37 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2png n ASP 37 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2png n SER 38 N -0.27 0.00 0.04 1.67 3.41 -1.26 -4.65 113.62 112.55 2png n SER 38 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2png n SER 38 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2png n SER 38 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2png h LEU 39 N 0.00 -0.04 -1.73 1.04 5.85 -1.99 -2.06 115.31 116.38 2png h LEU 39 Ca 0.00 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2png h LEU 39 Cb 0.00 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2png h LEU 39 CO 0.00 0.15 -0.15 0.24 -0.34 0.00 0.00 178.44 178.34 2png h MET 40 N -0.23 0.00 0.00 1.25 2.86 -1.97 0.51 114.93 117.36 2png h MET 40 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2png h MET 40 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2png h MET 40 CO 0.01 0.15 -0.45 0.78 1.06 0.00 0.00 176.91 178.45 2png h GLY 41 N 0.47 0.00 0.50 8.32 0.00 -1.70 -1.83 103.07 108.84 2png h GLY 41 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2png h GLY 41 CO 0.02 0.00 -1.30 -2.08 0.00 0.00 0.00 176.54 173.18 2png h VAL 42 N 0.00 1.09 -0.47 4.60 2.07 -0.43 -3.26 116.25 119.84 2png h VAL 42 Ca -0.00 -2.39 0.09 0.00 0.82 0.00 0.00 66.70 65.22 2png h VAL 42 Cb 0.85 2.74 -0.08 0.00 -1.52 0.00 0.00 31.29 33.29 2png h VAL 42 CO 0.06 0.67 0.01 -0.08 0.02 0.00 0.00 177.57 178.25 2png h GLU 43 N -0.39 0.12 -0.39 1.57 4.57 0.01 0.24 114.58 120.31 2png h GLU 43 Ca -0.28 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 2png h GLU 43 Cb 1.69 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.23 2png h GLU 43 CO 0.04 0.08 0.21 0.28 -1.18 0.00 0.00 179.01 178.44 2png h VAL 44 N 0.12 1.15 -0.48 0.32 2.07 -1.49 -2.34 116.25 115.60 2png h VAL 44 Ca 0.24 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2png h VAL 44 Cb 0.35 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2png h VAL 44 CO -0.39 0.16 -0.03 0.03 0.02 0.00 0.00 177.57 177.37 2png h ARG 45 N 0.51 0.82 0.00 1.57 3.08 -1.34 0.77 114.38 119.80 2png h ARG 45 Ca 0.14 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2png h ARG 45 Cb 0.07 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2png h ARG 45 CO -0.02 0.84 0.00 1.04 -1.07 0.00 0.00 179.97 180.76 2png n GLN 46 N -4.20 0.16 -0.13 0.04 6.02 0.76 -0.02 117.38 120.02 2png n GLN 46 Ca 0.02 0.13 -0.27 0.00 -0.01 0.00 0.00 57.00 56.88 2png n GLN 46 Cb 0.32 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.37 1.52 -0.02 5.09 5.41 -0.67 -4.09 119.36 125.22 2png n ILE 47 Ca 0.07 -0.32 -0.13 0.00 1.00 0.00 0.00 62.75 63.37 2png n ILE 47 Cb 0.18 -1.94 -0.10 0.00 -0.71 0.00 0.00 39.64 37.07 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 -0.99 -0.02 0.36 1.39 -0.00 -0.80 -2.96 115.31 112.29 2png h LEU 48 Ca -0.61 -0.58 -0.02 0.00 -0.00 0.00 0.00 57.88 56.67 2png h LEU 48 Cb 1.53 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.20 2png h LEU 48 CO -0.37 0.58 -0.17 -0.08 -0.00 0.00 0.00 178.44 178.40 2png h GLU 49 N -0.63 -0.46 0.83 1.13 4.81 0.27 0.54 114.58 121.06 2png h GLU 49 Ca -0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2png h GLU 49 Cb 0.60 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.09 2png h GLU 49 CO 0.00 -0.17 -0.40 0.00 -0.73 0.00 0.00 179.01 177.71 2png h ARG 50 N -1.00 -1.07 0.03 1.92 2.47 -1.68 -0.22 114.38 114.82 2png h ARG 50 Ca -0.05 0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2png h ARG 50 Cb 0.51 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 2png h ARG 50 CO 0.08 -0.71 -0.01 0.93 0.56 0.00 0.00 179.97 180.81 2png h GLU 51 N -1.13 -0.03 0.00 0.04 4.39 -1.68 -3.37 114.58 112.80 2png h GLU 51 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2png h GLU 51 Cb 0.86 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2png h GLU 51 CO 0.19 0.66 -1.24 0.72 -1.16 0.00 0.00 179.01 178.17 2png n HIS 52 N -4.75 0.21 -1.14 4.33 8.25 -0.75 -4.95 115.22 116.42 2png n HIS 52 Ca -0.09 0.06 -0.05 0.00 -0.26 0.00 0.00 57.72 57.39 2png n HIS 52 Cb 0.35 -0.42 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 2png n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2png n ASP 53 N -2.01 -3.77 -4.47 0.41 2.03 -0.09 -4.96 116.55 103.68 2png n ASP 53 Ca 0.01 0.12 -0.43 0.00 0.52 0.00 0.00 54.79 55.01 2png n ASP 53 Cb 0.46 -1.71 -0.06 0.00 -0.72 0.00 0.00 41.12 39.09 2png n ASP 53 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2png s LEU 54 N -1.12 4.76 -0.95 -2.67 1.02 -0.01 -4.86 118.68 114.85 2png s LEU 54 Ca 0.00 -0.72 -0.24 0.00 0.02 0.00 0.00 54.13 53.19 2png s LEU 54 Cb 0.00 -2.55 0.04 0.00 0.02 0.00 0.00 46.19 43.70 2png s LEU 54 CO 0.00 -0.90 1.44 -0.69 0.02 0.00 0.00 176.35 176.23 2png s VAL 55 N 2.80 3.85 -0.41 -1.59 1.01 -1.26 -1.91 120.40 122.90 2png s VAL 55 Ca 0.18 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2png s VAL 55 Cb -0.17 -4.97 0.10 0.00 0.00 0.00 0.00 36.38 31.34 2png s VAL 55 CO 0.14 -1.87 0.20 -0.76 0.00 0.00 0.00 175.10 172.82 2png s LEU 56 N 5.41 5.17 0.85 3.92 1.43 -1.26 -5.05 118.68 129.15 2png s LEU 56 Ca 0.45 -1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 51.50 2png s LEU 56 Cb -0.02 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.47 2png s LEU 56 CO -0.04 -0.53 1.21 -2.84 0.23 0.00 0.00 176.35 174.37 2png s PRO 57 N 1.19 1.54 0.31 1.29 0.02 -1.26 -4.65 135.00 133.44 2png s PRO 57 Ca 0.07 -0.13 -0.01 0.00 0.02 0.00 0.00 61.00 60.95 2png s PRO 57 Cb -0.23 -1.95 0.49 0.00 0.02 0.00 0.00 34.50 32.83 2png s PRO 57 CO -0.03 -1.83 1.97 0.82 -0.33 0.00 0.00 177.00 177.60 2png h ILE 58 N -1.19 1.20 -0.01 2.83 5.03 -1.97 -0.39 117.51 123.01 2png h ILE 58 Ca -0.45 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 63.91 2png h ILE 58 Cb 1.30 0.09 -0.00 0.00 -3.03 0.00 0.00 36.82 35.17 2png h ILE 58 CO 0.56 0.20 0.04 0.08 -0.68 0.00 0.00 178.15 178.35 2png h ARG 59 N 1.04 0.00 0.00 2.37 -0.00 -2.01 0.78 114.38 116.56 2png h ARG 59 Ca 0.28 0.00 -0.42 0.00 -0.00 0.00 0.00 59.98 59.84 2png h ARG 59 Cb -0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 29.80 2png h ARG 59 CO -0.06 0.00 -2.49 0.39 -0.00 0.00 0.00 179.97 177.81 2png n GLU 60 N -3.15 0.63 -0.17 0.08 -0.58 -0.29 -4.53 120.64 112.63 2png n GLU 60 Ca -0.03 0.20 0.09 0.00 -0.42 0.00 0.00 57.16 57.00 2png n GLU 60 Cb 0.11 -1.51 0.39 0.00 -0.57 0.00 0.00 31.44 29.86 2png n GLU 60 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2png h VAL 61 N -0.42 0.96 0.00 2.62 2.07 -0.60 -2.36 116.25 118.52 2png h VAL 61 Ca -0.63 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2png h VAL 61 Cb 1.78 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2png h VAL 61 CO -0.23 0.12 -0.01 0.03 0.02 0.00 0.00 177.57 177.50 2png h ARG 62 N 0.66 0.00 -0.02 1.57 3.08 -1.10 -1.38 114.38 117.19 2png h ARG 62 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2png h ARG 62 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2png h ARG 62 CO -0.11 0.01 -0.06 1.04 -1.07 0.00 0.00 179.97 179.78 2png n GLN 63 N -3.18 2.01 -2.18 0.04 3.00 -0.89 -0.80 117.38 115.38 2png n GLN 63 Ca -0.02 -1.57 -0.34 0.00 -0.01 0.00 0.00 57.00 55.06 2png n GLN 63 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.90 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 -2.07 3.62 0.62 1.08 1.43 -0.52 -4.72 118.68 118.12 2png s LEU 64 Ca 0.29 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.39 2png s LEU 64 Cb 0.20 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.96 2png s LEU 64 CO 0.34 -1.15 0.85 0.42 0.23 0.00 0.00 176.35 177.05 2png s THR 65 N -2.17 2.27 0.14 5.49 -4.23 -1.26 0.35 115.64 116.23 2png s THR 65 Ca 0.67 -0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 60.25 2png s THR 65 Cb -0.18 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.20 2png s THR 65 CO 0.31 0.00 1.60 0.25 -0.54 0.00 0.00 174.62 176.24 2png h LEU 66 N -0.08 0.80 -0.08 4.79 7.12 -1.76 -2.31 115.31 123.79 2png h LEU 66 Ca -0.35 -0.30 0.00 0.00 0.13 0.00 0.00 57.88 57.37 2png h LEU 66 Cb 1.28 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 2png h LEU 66 CO 0.42 0.90 -0.21 0.54 -0.13 0.00 0.00 178.44 179.96 2png n ARG 67 N -4.37 0.22 0.15 1.25 5.12 -1.26 -3.31 116.66 114.45 2png n ARG 67 Ca 0.00 -0.08 0.06 0.00 -1.93 0.00 0.00 57.85 55.90 2png n ARG 67 Cb 0.30 -1.50 0.53 0.00 -1.16 0.00 0.00 32.46 30.63 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 0.19 0.22 -0.95 5.56 1.63 -1.78 -0.85 116.57 120.58 2png h LYS 68 Ca 0.00 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.90 2png h LYS 68 Cb 0.46 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.97 2png h LYS 68 CO 0.00 0.18 0.61 -0.07 -3.45 0.00 0.00 179.45 176.71 2png h LEU 69 N 0.22 0.84 0.00 5.20 -0.00 -1.61 0.16 115.31 120.12 2png h LEU 69 Ca 0.06 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2png h LEU 69 Cb 0.04 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.56 2png h LEU 69 CO -0.01 0.45 -1.39 0.00 -0.00 0.00 0.00 178.44 177.50 2png n GLN 70 N -4.58 0.63 -0.12 1.13 10.64 -0.57 -2.68 117.38 121.83 2png n GLN 70 Ca 0.18 0.01 -0.12 0.00 -1.83 0.00 0.00 57.00 55.23 2png n GLN 70 Cb 0.36 -1.71 -0.03 0.00 -0.86 0.00 0.00 30.24 28.01 2png n GLN 70 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 2png h GLU 71 N 0.00 0.74 -0.49 2.61 4.57 -0.04 -3.00 114.58 118.97 2png h GLU 71 Ca -0.01 -0.32 -0.29 0.00 -1.18 0.00 0.00 59.36 57.57 2png h GLU 71 Cb 1.03 -0.02 -0.17 0.00 -0.16 0.00 0.00 28.75 29.42 2png h GLU 71 CO 0.00 0.93 -0.04 0.00 -1.18 0.00 0.00 179.01 178.72 2png n MET 72 N -4.32 2.12 0.21 1.92 0.00 0.47 -4.64 117.12 112.88 2png n MET 72 Ca -0.02 -3.30 0.07 0.00 0.00 0.00 0.00 57.70 54.44 2png n MET 72 Cb 0.40 -1.93 0.45 0.00 0.00 0.00 0.00 33.22 32.14 2png n MET 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2png h SER 73 N 1.21 0.00 -2.98 3.17 4.64 -1.35 -3.46 113.55 114.78 2png h SER 73 Ca 0.30 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.31 2png h SER 73 Cb 1.67 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.78 2png h SER 73 CO 0.57 0.30 -0.44 -0.24 -0.87 0.00 0.00 176.83 176.16 2png n SER 74 N -3.74 -4.89 0.04 4.97 2.88 -1.26 -4.77 113.62 106.85 2png n SER 74 Ca -0.01 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 2png n SER 74 Cb 0.40 -3.85 0.00 0.00 -0.75 0.00 0.00 64.21 60.00 2png n SER 74 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2png n LYS 75 N -2.93 0.00 0.00 -1.46 4.81 -1.26 -5.02 118.16 112.29 2png n LYS 75 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2png n LYS 75 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 2png n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2png n ALA 76 N -2.72 0.00 -2.00 3.14 0.00 -1.26 -4.48 120.51 113.18 2png n ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2png n ALA 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2png n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2png n GLY 77 N 0.00 1.06 1.53 0.00 0.00 -1.26 -4.99 105.19 101.53 2png n GLY 77 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 2png n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2png n SER 78 N 0.00 -0.43 -0.00 1.61 7.64 -1.26 -4.91 113.62 116.27 2png n SER 78 Ca 0.00 -2.04 0.06 0.00 1.01 0.00 0.00 58.87 57.90 2png n SER 78 Cb 0.00 0.17 -0.07 0.00 -1.01 0.00 0.00 64.21 63.30 2png n SER 78 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2png n ASP 79 N -0.19 0.64 -0.19 6.43 9.92 -1.26 -4.06 116.55 127.85 2png n ASP 79 Ca -0.16 -0.78 0.14 0.00 -0.53 0.00 0.00 54.79 53.47 2png n ASP 79 Cb 0.84 1.02 0.73 0.00 -0.64 0.00 0.00 41.12 43.07 2png n ASP 79 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2png n THR 80 N -1.32 0.01 -2.84 -3.53 5.66 -1.26 -4.74 114.28 106.27 2png n THR 80 Ca 0.02 -0.10 -0.41 0.00 -3.05 0.00 0.00 64.05 60.51 2png n THR 80 Cb 0.20 -0.10 -0.04 0.00 -1.55 0.00 0.00 70.33 68.84 2png n THR 80 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2png s GLU 81 N -1.99 4.42 0.35 1.09 2.12 -1.26 -5.03 118.70 118.41 2png s GLU 81 Ca 0.41 1.17 -0.11 0.00 0.36 0.00 0.00 54.97 56.80 2png s GLU 81 Cb 0.20 -3.51 -0.07 0.00 0.26 0.00 0.00 34.13 31.01 2png s GLU 81 CO 0.33 -0.17 0.71 -0.51 -0.54 0.00 0.00 175.26 175.09 2png s LEU 82 N 1.54 3.95 -0.37 2.70 1.02 -1.26 -5.05 118.68 121.21 2png s LEU 82 Ca 0.44 1.09 -0.04 0.00 0.02 0.00 0.00 54.13 55.64 2png s LEU 82 Cb -0.18 -3.94 0.08 0.00 0.02 0.00 0.00 46.19 42.17 2png s LEU 82 CO 0.19 -0.30 0.13 0.00 0.02 0.00 0.00 176.35 176.39 2png s ALA 83 N -2.19 3.05 -0.17 4.21 0.00 -1.26 -5.05 121.76 120.35 2png s ALA 83 Ca 0.51 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.31 2png s ALA 83 Cb -0.10 -2.27 0.03 0.00 0.00 0.00 0.00 23.12 20.78 2png s ALA 83 CO 0.27 -1.56 -0.12 0.00 0.00 0.00 0.00 175.76 174.35 2png s ALA 84 N 1.23 1.87 -0.74 0.00 0.00 -1.26 -5.06 121.76 117.79 2png s ALA 84 Ca 0.02 -1.01 -0.32 0.00 0.00 0.00 0.00 51.96 50.66 2png s ALA 84 Cb -0.21 -1.15 -0.17 0.00 0.00 0.00 0.00 23.12 21.59 2png s ALA 84 CO -0.02 -0.60 2.51 -2.30 0.00 0.00 0.00 175.76 175.35 2png n PRO 85 N 4.75 0.38 0.06 0.00 -0.02 -1.25 -4.79 135.00 134.13 2png n PRO 85 Ca -0.15 0.04 -0.13 0.00 -2.02 0.00 0.00 63.50 61.23 2png n PRO 85 Cb 0.48 -2.07 -0.14 0.00 -0.02 0.00 0.00 33.50 31.76 2png n PRO 85 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2png h LYS 86 N 13.43 0.16 0.00 -0.52 3.64 -1.38 -3.47 116.57 128.43 2png h LYS 86 Ca -0.13 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2png h LYS 86 Cb 1.32 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2png h LYS 86 CO 1.25 1.01 0.00 -1.13 -2.27 0.00 0.00 179.45 178.32 2png n SER 87 N -3.38 0.00 -0.01 4.20 3.41 -1.26 -4.91 113.62 111.66 2png n SER 87 Ca -0.11 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.60 2png n SER 87 Cb 1.02 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.80 2png n SER 87 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2png n LYS 88 N 0.00 0.60 0.00 4.33 4.01 -1.26 -5.23 118.16 120.60 2png n LYS 88 Ca 0.00 -0.18 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 2png n LYS 88 Cb 0.00 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.01 2png n LYS 88 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38