#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 6.87 0.00 1.61 2.15 -1.26 -3.98 116.67 122.06 2png s ASP 2 Ca 0.00 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.08 2png s ASP 2 Cb 0.00 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 2png s ASP 2 CO 0.00 0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.76 2png n GLY 3 N 1.04 2.69 3.09 2.66 0.00 -1.26 -4.89 105.19 108.52 2png n GLY 3 Ca -0.07 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 2.00 0.17 1.61 2.02 -1.26 -4.95 118.70 118.29 2png s GLU 4 Ca 0.00 -1.60 -0.05 0.00 0.02 0.00 0.00 54.97 53.34 2png s GLU 4 Cb 0.00 -3.21 0.04 0.00 0.10 0.00 0.00 34.13 31.06 2png s GLU 4 CO 0.00 -0.81 1.45 0.00 0.02 0.00 0.00 175.26 175.93 2png h ALA 5 N 7.84 0.60 0.00 5.21 0.00 -1.90 -3.22 119.26 127.78 2png h ALA 5 Ca -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2png h ALA 5 Cb 1.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2png h ALA 5 CO 0.55 0.70 0.00 0.94 0.00 0.00 0.00 179.25 181.44 2png n GLN 6 N -3.94 0.00 -2.63 0.00 7.27 -1.26 -4.65 117.38 112.16 2png n GLN 6 Ca -0.04 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.72 2png n GLN 6 Cb 0.64 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.26 2png n GLN 6 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 2png s ARG 7 N -2.00 3.88 0.63 3.69 1.70 -1.26 -5.04 118.95 120.54 2png s ARG 7 Ca 0.00 0.74 -0.13 0.00 -0.47 0.00 0.00 55.73 55.86 2png s ARG 7 Cb 0.00 -2.26 -0.02 0.00 -0.57 0.00 0.00 34.95 32.10 2png s ARG 7 CO 0.00 -0.15 1.05 0.34 -1.08 0.00 0.00 175.30 175.45 2png s ASP 8 N -3.07 5.78 0.44 -2.89 2.15 -1.26 -4.96 116.67 112.86 2png s ASP 8 Ca 0.55 1.66 0.24 0.00 0.43 0.00 0.00 52.55 55.44 2png s ASP 8 Cb -0.10 -2.51 0.79 0.00 -0.30 0.00 0.00 42.92 40.80 2png s ASP 8 CO 0.31 -1.17 1.77 -0.07 -0.17 0.00 0.00 175.17 175.83 2png h LEU 9 N -0.04 0.00 -0.13 -1.34 3.38 -1.86 -1.95 115.31 113.38 2png h LEU 9 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2png h LEU 9 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2png h LEU 9 CO 0.58 0.19 0.00 0.58 0.09 0.00 0.00 178.44 179.88 2png h VAL 10 N 0.00 0.00 -0.29 1.22 2.07 -1.86 0.56 116.25 117.95 2png h VAL 10 Ca -0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2png h VAL 10 Cb 0.84 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2png h VAL 10 CO 0.02 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.90 2png n LYS 11 N -2.33 2.09 0.11 1.57 4.76 -0.74 -3.77 118.16 119.84 2png n LYS 11 Ca 0.05 -1.64 0.00 0.00 -2.87 0.00 0.00 58.31 53.85 2png n LYS 11 Cb 0.41 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 0.86 3.00 -0.04 7.82 0.00 -0.96 -4.71 120.51 126.48 2png n ALA 12 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 2png n ALA 12 Cb 0.45 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.11 -2.02 116.25 117.43 2png h VAL 13 Ca 0.00 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2png h VAL 13 Cb 0.00 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2png h VAL 13 CO 0.00 0.23 -0.20 0.00 0.02 0.00 0.00 177.57 177.62 2png h ALA 14 N 0.77 1.47 0.00 1.67 0.00 -1.63 -0.77 119.26 120.76 2png h ALA 14 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2png h ALA 14 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2png h ALA 14 CO 0.01 0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.70 2png h HIS 15 N 0.00 0.00 -0.19 0.00 6.17 -1.30 0.17 115.15 120.00 2png h HIS 15 Ca -0.00 0.00 -0.18 0.00 0.71 0.00 0.00 60.37 60.90 2png h HIS 15 Cb 0.40 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.33 2png h HIS 15 CO 0.00 0.05 -0.61 0.82 0.71 0.00 0.00 177.93 178.90 2png h ILE 16 N 0.00 1.31 -0.01 6.26 1.08 -0.45 -3.24 117.51 122.46 2png h ILE 16 Ca -0.00 -1.86 -0.06 0.00 -0.39 0.00 0.00 64.86 62.55 2png h ILE 16 Cb 0.59 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 2png h ILE 16 CO 0.01 0.58 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.75 2png h LEU 17 N 0.47 0.22 0.00 1.44 3.38 -1.40 -3.48 115.31 115.95 2png h LEU 17 Ca -0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2png h LEU 17 Cb 1.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2png h LEU 17 CO 0.12 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.19 2png n GLY 18 N 0.95 1.10 3.26 0.83 0.00 0.33 -5.14 105.19 106.53 2png n GLY 18 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 0.48 0.00 -0.61 -4.36 0.24 -4.99 121.20 109.96 2png s ILE 19 Ca 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 2png s ILE 19 Cb 0.00 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.33 2png s ILE 19 CO 0.00 -0.21 0.00 -1.14 0.24 0.00 0.00 174.94 173.83 2png n ARG 20 N -0.33 0.00 -0.16 0.37 0.00 -1.26 -3.01 116.66 112.28 2png n ARG 20 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.72 2png n ARG 20 Cb 0.65 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 33.11 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 0.85 -1.94 6.15 3.04 -1.95 -3.47 116.42 119.09 2png h ASP 21 Ca 0.00 -0.34 -0.40 0.00 -3.24 0.00 0.00 57.03 53.05 2png h ASP 21 Cb 0.00 -0.23 -0.09 0.00 -1.04 0.00 0.00 39.33 37.97 2png h ASP 21 CO 0.00 0.99 -0.44 0.18 -2.04 0.00 0.00 179.24 177.92 2png n LEU 22 N -4.30 -1.69 0.04 0.15 7.99 -1.26 -4.86 117.00 113.07 2png n LEU 22 Ca 0.00 0.22 0.13 0.00 -0.01 0.00 0.00 56.01 56.35 2png n LEU 22 Cb 0.35 -2.79 0.52 0.00 -0.11 0.00 0.00 43.42 41.38 2png n LEU 22 CO 0.43 -0.60 0.91 0.00 -1.51 0.00 0.00 177.39 176.62 2png n ALA 23 N -0.39 2.22 -2.12 -1.18 0.00 -1.26 -3.61 120.51 114.17 2png n ALA 23 Ca -0.22 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.17 2png n ALA 23 Cb 0.67 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2png n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2png n GLY 24 N 1.22 0.68 3.69 0.00 0.00 -1.26 -5.08 105.19 104.44 2png n GLY 24 Ca 0.06 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 3.88 -0.15 -0.61 -1.09 -1.24 -5.08 121.20 116.92 2png s ILE 25 Ca 0.08 -1.36 -0.24 0.00 -2.23 0.00 0.00 60.65 56.90 2png s ILE 25 Cb 0.10 -2.96 -0.02 0.00 -1.58 0.00 0.00 42.46 37.99 2png s ILE 25 CO -0.04 -0.12 0.77 0.21 -1.23 0.00 0.00 174.94 174.53 2png s ASN 26 N -3.00 6.92 0.00 3.58 3.84 -1.26 -4.91 114.94 120.10 2png s ASN 26 Ca 0.28 1.12 0.24 0.00 0.21 0.00 0.00 52.86 54.71 2png s ASN 26 Cb -0.09 -2.43 1.06 0.00 -0.55 0.00 0.00 41.25 39.24 2png s ASN 26 CO 0.20 -0.31 1.73 0.18 -2.79 0.00 0.00 177.10 176.10 2png n LEU 27 N 4.85 1.10 -0.28 3.21 4.77 -1.26 -2.97 117.00 126.42 2png n LEU 27 Ca 0.02 -0.42 0.06 0.00 -0.03 0.00 0.00 56.01 55.64 2png n LEU 27 Cb 0.50 -0.04 0.12 0.00 -2.33 0.00 0.00 43.42 41.67 2png n LEU 27 CO 0.47 0.21 0.58 0.47 -1.33 0.00 0.00 177.39 177.80 2png n ASP 28 N -0.10 2.61 -4.70 -1.43 8.00 -1.26 -4.63 116.55 115.04 2png n ASP 28 Ca 0.18 -2.62 -0.41 0.00 0.71 0.00 0.00 54.79 52.65 2png n ASP 28 Cb 0.26 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.91 7.18 0.67 -2.24 0.01 -1.16 -4.96 113.70 111.29 2png s SER 29 Ca 0.23 1.43 -0.17 0.00 1.31 0.00 0.00 55.95 58.76 2png s SER 29 Cb 0.19 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2png s SER 29 CO 0.05 -0.25 1.20 -0.44 0.41 0.00 0.00 173.24 174.21 2png s SER 30 N 0.97 4.69 0.42 2.44 0.01 -1.26 -3.98 113.70 116.99 2png s SER 30 Ca 0.45 2.34 0.09 0.00 1.31 0.00 0.00 55.95 60.14 2png s SER 30 Cb -0.19 -2.59 0.90 0.00 0.21 0.00 0.00 66.02 64.35 2png s SER 30 CO 0.22 -1.93 2.03 0.25 0.41 0.00 0.00 173.24 174.22 2png h LEU 31 N 0.22 0.32 -1.25 2.44 5.85 -1.01 0.41 115.31 122.29 2png h LEU 31 Ca -0.49 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.14 2png h LEU 31 Cb 1.29 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2png h LEU 31 CO 0.52 0.30 -0.20 0.00 -0.34 0.00 0.00 178.44 178.73 2png h ALA 32 N 1.75 1.38 -0.11 1.25 0.00 -1.74 -0.68 119.26 121.11 2png h ALA 32 Ca 0.09 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 2png h ALA 32 Cb 0.08 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2png h ALA 32 CO -0.01 0.43 -0.81 0.22 0.00 0.00 0.00 179.25 179.08 2png h ASP 33 N 0.25 0.83 -0.91 0.00 3.58 -1.23 -3.14 116.42 115.80 2png h ASP 33 Ca 0.05 -0.57 0.01 0.00 0.42 0.00 0.00 57.03 56.94 2png h ASP 33 Cb 0.50 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.25 2png h ASP 33 CO 0.03 1.36 0.61 -0.07 -2.88 0.00 0.00 179.24 178.29 2png h LEU 34 N 0.46 1.05 0.00 2.28 3.38 -0.99 -3.45 115.31 118.04 2png h LEU 34 Ca -0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2png h LEU 34 Cb 1.44 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2png h LEU 34 CO 0.16 0.76 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2png n GLY 35 N -1.35 0.00 3.60 0.83 0.00 -0.84 -5.07 105.19 102.35 2png n GLY 35 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 3.47 0.00 0.99 2.96 -0.32 -4.59 118.68 121.19 2png s LEU 36 Ca 0.00 1.53 0.00 0.00 -0.22 0.00 0.00 54.13 55.44 2png s LEU 36 Cb 0.00 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 43.23 2png s LEU 36 CO 0.00 -1.87 0.00 -0.90 -1.32 0.00 0.00 176.35 172.26 2png n ASP 37 N 11.12 1.75 0.00 3.68 5.75 -1.26 -4.43 116.55 133.17 2png n ASP 37 Ca 0.26 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 2png n ASP 37 Cb 0.46 0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 2png n ASP 37 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2png n SER 38 N -0.53 0.00 -0.19 -1.12 7.64 -1.26 -5.01 113.62 113.15 2png n SER 38 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2png n SER 38 Cb 0.00 0.20 0.24 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.83 0.00 -3.43 5.85 -1.96 -2.62 115.31 113.97 2png h LEU 39 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2png h LEU 39 Cb 0.00 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.82 2png h LEU 39 CO 0.00 0.64 0.00 0.23 -0.34 0.00 0.00 178.44 178.97 2png n MET 40 N -4.39 0.75 -0.03 1.25 2.81 -1.26 -0.17 117.12 116.07 2png n MET 40 Ca 0.07 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.92 2png n MET 40 Cb 0.08 -1.21 -0.04 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.36 -0.23 0.12 3.03 0.00 -1.00 -4.50 105.19 102.96 2png n GLY 41 Ca 0.08 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.66 1.61 2.07 -1.11 -2.64 116.25 116.96 2png h VAL 42 Ca -0.17 -1.67 0.09 0.00 0.82 0.00 0.00 66.70 65.78 2png h VAL 42 Cb 1.33 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 33.37 2png h VAL 42 CO -0.00 0.47 0.29 -0.08 0.02 0.00 0.00 177.57 178.27 2png h GLU 43 N -0.23 0.48 -0.15 1.57 4.57 -0.84 0.91 114.58 120.88 2png h GLU 43 Ca -0.01 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2png h GLU 43 Cb 0.90 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2png h GLU 43 CO 0.05 0.32 0.08 0.28 -1.18 0.00 0.00 179.01 178.56 2png h VAL 44 N 0.50 1.00 -0.47 0.32 2.07 -1.77 -1.99 116.25 115.90 2png h VAL 44 Ca 0.33 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.80 2png h VAL 44 Cb 0.38 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2png h VAL 44 CO -0.29 0.03 0.30 0.03 0.02 0.00 0.00 177.57 177.66 2png h ARG 45 N 0.17 0.59 -0.31 1.57 3.08 -0.90 -1.24 114.38 117.34 2png h ARG 45 Ca 0.06 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.15 2png h ARG 45 Cb 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2png h ARG 45 CO -0.04 0.39 0.22 1.96 -1.07 0.00 0.00 179.97 181.43 2png h GLN 46 N 0.61 0.09 0.13 0.04 4.20 -0.31 0.43 115.11 120.29 2png h GLN 46 Ca 0.18 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2png h GLN 46 Cb -0.03 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2png h GLN 46 CO -0.06 0.06 -0.06 0.82 -0.67 0.00 0.00 178.83 178.91 2png h ILE 47 N 0.09 0.00 -0.68 2.54 2.04 -0.66 -3.07 117.51 117.76 2png h ILE 47 Ca 0.14 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 2png h ILE 47 Cb 0.46 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2png h ILE 47 CO -0.01 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.26 2png h LEU 48 N -0.97 0.99 0.26 1.44 -0.00 -0.87 0.27 115.31 116.43 2png h LEU 48 Ca -0.02 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.66 2png h LEU 48 Cb 0.14 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2png h LEU 48 CO 0.03 0.93 -0.12 -0.33 -0.00 0.00 0.00 178.44 178.95 2png h GLU 49 N 1.01 -0.33 -0.15 1.13 5.08 0.04 -0.05 114.58 121.31 2png h GLU 49 Ca 0.22 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2png h GLU 49 Cb 0.31 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2png h GLU 49 CO -0.00 -0.01 -0.33 0.00 -1.00 0.00 0.00 179.01 177.67 2png h ARG 50 N -0.70 0.31 0.00 2.33 3.08 -1.43 -0.29 114.38 117.69 2png h ARG 50 Ca -0.04 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2png h ARG 50 Cb 0.48 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 2png h ARG 50 CO 0.06 0.61 -0.23 0.93 -1.07 0.00 0.00 179.97 180.27 2png h GLU 51 N 0.27 0.00 0.00 0.04 4.39 -0.99 -3.43 114.58 114.86 2png h GLU 51 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2png h GLU 51 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2png h GLU 51 CO 0.05 0.17 -0.01 0.72 -1.16 0.00 0.00 179.01 178.78 2png n HIS 52 N -4.69 0.00 -1.00 4.33 8.25 -0.16 -4.98 115.22 116.97 2png n HIS 52 Ca -0.05 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 2png n HIS 52 Cb 0.17 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.80 -4.31 -4.53 0.41 2.03 -0.12 -4.94 116.55 104.30 2png n ASP 53 Ca 0.06 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.95 2png n ASP 53 Cb 0.41 -1.86 -0.03 0.00 -0.72 0.00 0.00 41.12 38.92 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 0.00 3.67 -0.77 -2.67 1.02 -0.56 -4.79 118.68 114.58 2png s LEU 54 Ca 0.00 -1.00 -0.27 0.00 0.02 0.00 0.00 54.13 52.88 2png s LEU 54 Cb 0.00 -2.52 0.03 0.00 0.02 0.00 0.00 46.19 43.72 2png s LEU 54 CO 0.00 -1.59 1.32 -0.69 0.02 0.00 0.00 176.35 175.41 2png s VAL 55 N 4.91 3.73 -0.43 -1.59 1.01 -1.26 -2.74 120.40 124.03 2png s VAL 55 Ca 0.36 0.27 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 2png s VAL 55 Cb -0.07 -4.90 0.06 0.00 0.00 0.00 0.00 36.38 31.47 2png s VAL 55 CO 0.04 -1.84 0.32 -0.76 0.00 0.00 0.00 175.10 172.87 2png s LEU 56 N 5.78 5.28 0.84 3.92 1.43 -1.26 -5.07 118.68 129.59 2png s LEU 56 Ca 0.37 -1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 2png s LEU 56 Cb -0.07 -2.11 0.09 0.00 0.03 0.00 0.00 46.19 44.13 2png s LEU 56 CO 0.12 -0.54 1.09 -2.84 0.23 0.00 0.00 176.35 174.41 2png s PRO 57 N 1.59 1.75 0.53 1.29 0.02 -1.26 -4.62 135.00 134.30 2png s PRO 57 Ca 0.04 0.78 0.24 0.00 0.02 0.00 0.00 61.00 62.08 2png s PRO 57 Cb -0.22 -1.87 1.48 0.00 0.02 0.00 0.00 34.50 33.91 2png s PRO 57 CO 0.06 -1.89 2.14 0.82 -0.33 0.00 0.00 177.00 177.80 2png h ILE 58 N -1.29 0.72 -0.84 2.83 5.03 -1.96 0.71 117.51 122.72 2png h ILE 58 Ca -0.48 -0.28 0.23 0.00 -0.12 0.00 0.00 64.86 64.21 2png h ILE 58 Cb 1.27 1.17 -0.04 0.00 -3.03 0.00 0.00 36.82 36.18 2png h ILE 58 CO 0.56 0.07 0.59 0.03 -0.68 0.00 0.00 178.15 178.72 2png h ARG 59 N 0.00 0.13 0.00 2.37 -0.00 -2.01 -0.36 114.38 114.51 2png h ARG 59 Ca -0.00 -0.01 -0.31 0.00 -0.50 0.00 0.00 59.98 59.16 2png h ARG 59 Cb 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 29.97 30.06 2png h ARG 59 CO 0.01 0.08 -2.05 0.39 0.00 0.00 0.00 179.97 178.40 2png n GLU 60 N -4.36 0.41 0.06 0.04 1.02 -0.11 -4.65 120.64 113.04 2png n GLU 60 Ca 0.17 0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.58 2png n GLU 60 Cb 0.82 -1.22 0.57 0.00 -0.02 0.00 0.00 31.44 31.59 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 -0.51 0.93 0.00 2.62 2.07 -0.81 -2.27 116.25 118.28 2png h VAL 61 Ca -0.46 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2png h VAL 61 Cb 1.47 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2png h VAL 61 CO -0.24 0.04 0.00 -0.09 0.02 0.00 0.00 177.57 177.30 2png h ARG 62 N 0.22 0.00 -0.31 1.57 2.43 -1.30 -0.19 114.38 116.81 2png h ARG 62 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2png h ARG 62 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2png h ARG 62 CO -0.03 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 179.47 2png n GLN 63 N -2.54 2.29 -2.41 0.20 3.00 -0.85 -1.60 117.38 115.47 2png n GLN 63 Ca -0.01 -2.10 -0.43 0.00 -0.01 0.00 0.00 57.00 54.45 2png n GLN 63 Cb 0.11 -1.45 -0.02 0.00 0.00 0.00 0.00 30.24 28.88 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 -1.42 3.57 -0.00 1.08 1.43 -0.08 -4.65 118.68 118.62 2png s LEU 64 Ca 0.33 0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.10 2png s LEU 64 Cb 0.20 -3.49 -0.11 0.00 0.03 0.00 0.00 46.19 42.81 2png s LEU 64 CO 0.28 -1.43 2.69 0.35 0.23 0.00 0.00 176.35 178.47 2png n THR 65 N 7.02 2.42 0.00 5.49 -2.24 -1.26 -2.55 114.28 123.17 2png n THR 65 Ca 0.15 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 2png n THR 65 Cb 0.48 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 1.92 0.00 -0.00 3.22 -0.00 -1.26 -3.83 117.00 117.05 2png n LEU 66 Ca 0.18 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.34 2png n LEU 66 Cb 0.68 0.00 0.69 0.00 -0.00 0.00 0.00 43.42 44.78 2png n LEU 66 CO 0.05 0.00 0.99 0.54 -0.00 0.00 0.00 177.39 178.97 2png n ARG 67 N 0.00 0.20 0.24 1.96 5.12 -1.26 -1.71 116.66 121.21 2png n ARG 67 Ca 0.00 -0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 2png n ARG 67 Cb 0.00 -1.50 0.38 0.00 -1.16 0.00 0.00 32.46 30.18 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 -0.98 5.56 3.64 -1.86 -3.07 116.57 119.86 2png h LYS 68 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2png h LYS 68 Cb 0.40 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 2png h LYS 68 CO 0.00 0.00 0.64 -0.07 -2.27 0.00 0.00 179.45 177.75 2png h LEU 69 N 0.00 1.07 -0.29 5.20 -0.00 -1.65 -1.34 115.31 118.29 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 0.79 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2png h LEU 69 CO 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 178.44 179.17 2png n GLN 70 N -4.46 1.19 -0.05 1.13 10.64 -1.16 -0.52 117.38 124.15 2png n GLN 70 Ca 0.13 -0.29 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 2png n GLN 70 Cb 0.09 -1.30 -0.14 0.00 -0.86 0.00 0.00 30.24 28.04 2png n GLN 70 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2png n GLU 71 N -0.48 0.90 -0.47 2.61 4.07 -0.60 -4.26 120.64 122.41 2png n GLU 71 Ca 0.13 -0.09 0.07 0.00 -0.06 0.00 0.00 57.16 57.22 2png n GLU 71 Cb 0.13 -1.43 0.25 0.00 -0.06 0.00 0.00 31.44 30.32 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2png n MET 72 N -2.39 2.71 -0.02 5.31 2.81 -0.65 -4.60 117.12 120.30 2png n MET 72 Ca -0.16 -2.87 0.08 0.00 -1.81 0.00 0.00 57.70 52.94 2png n MET 72 Cb 0.77 -1.83 0.45 0.00 -0.71 0.00 0.00 33.22 31.90 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 -0.63 0.33 -2.03 7.83 3.41 0.32 -4.86 113.62 117.98 2png n SER 73 Ca 0.23 -1.55 -0.17 0.00 -0.26 0.00 0.00 58.87 57.12 2png n SER 73 Cb 0.91 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2png n SER 73 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2png n SER 74 N -0.54 -4.99 -4.49 4.04 2.88 -1.26 -4.78 113.62 104.49 2png n SER 74 Ca 0.13 -0.07 -0.43 0.00 -1.33 0.00 0.00 58.87 57.17 2png n SER 74 Cb 0.11 -4.03 -0.05 0.00 -0.75 0.00 0.00 64.21 59.49 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 -4.99 3.22 -0.06 -1.46 -0.14 -1.26 -4.89 119.74 110.17 2png s LYS 75 Ca 0.06 -0.56 -0.15 0.00 -1.36 0.00 0.00 55.97 53.96 2png s LYS 75 Cb -0.03 -4.11 -0.11 0.00 -1.68 0.00 0.00 37.83 31.91 2png s LYS 75 CO 0.07 -1.52 0.61 0.00 -0.76 0.00 0.00 175.35 173.76 2png h ALA 76 N 9.31 -0.29 0.00 5.17 0.00 -2.01 -3.50 119.26 127.94 2png h ALA 76 Ca -0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2png h ALA 76 Cb 1.08 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2png h ALA 76 CO 1.09 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2png n GLY 77 N 0.81 -1.24 3.05 0.00 0.00 -1.26 -4.93 105.19 101.61 2png n GLY 77 Ca -0.06 -1.57 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.29 -0.67 0.18 1.61 0.01 -1.26 -5.13 113.70 106.14 2png s SER 78 Ca 0.00 -0.48 -0.31 0.00 1.31 0.00 0.00 55.95 56.47 2png s SER 78 Cb 0.00 1.56 -0.09 0.00 0.21 0.00 0.00 66.02 67.70 2png s SER 78 CO 0.00 -0.27 1.41 -0.62 0.41 0.00 0.00 173.24 174.16 2png s ASP 79 N 2.28 6.77 -0.17 2.44 2.15 -1.26 -4.91 116.67 123.97 2png s ASP 79 Ca 0.13 2.47 0.14 0.00 0.43 0.00 0.00 52.55 55.71 2png s ASP 79 Cb -0.10 -2.60 0.37 0.00 -0.30 0.00 0.00 42.92 40.30 2png s ASP 79 CO -0.19 -0.66 1.19 0.41 -0.17 0.00 0.00 175.17 175.76 2png n THR 80 N 3.22 1.95 -3.17 1.71 -1.04 -1.26 -5.03 114.28 110.66 2png n THR 80 Ca 0.09 -2.78 -0.37 0.00 -2.04 0.00 0.00 64.05 58.96 2png n THR 80 Cb 0.41 -0.15 -0.06 0.00 -1.82 0.00 0.00 70.33 68.71 2png n THR 80 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2png s GLU 81 N -2.89 4.21 0.03 -2.82 2.56 -1.26 -4.73 118.70 113.81 2png s GLU 81 Ca 0.35 0.79 0.00 0.00 0.00 0.00 0.00 54.97 56.11 2png s GLU 81 Cb 0.34 -2.98 0.00 0.00 2.00 0.00 0.00 34.13 33.49 2png s GLU 81 CO -0.05 0.46 0.00 -0.11 -0.56 0.00 0.00 175.26 175.01 2png n LEU 82 N 0.96 -4.42 -1.43 2.70 7.94 -1.26 -4.87 117.00 116.61 2png n LEU 82 Ca -0.04 1.56 -0.03 0.00 -1.11 0.00 0.00 56.01 56.38 2png n LEU 82 Cb 0.51 -2.19 0.17 0.00 0.53 0.00 0.00 43.42 42.44 2png n LEU 82 CO 0.43 -1.45 0.73 0.00 -1.11 0.00 0.00 177.39 175.99 2png n ALA 83 N 0.98 3.65 -2.68 1.96 0.00 -1.26 -4.84 120.51 118.31 2png n ALA 83 Ca 0.00 -1.27 -0.40 0.00 0.00 0.00 0.00 53.44 51.78 2png n ALA 83 Cb 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 2png n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2png s ALA 84 N -1.89 3.48 0.74 0.00 0.00 -1.26 -5.06 121.76 117.77 2png s ALA 84 Ca 0.30 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.04 2png s ALA 84 Cb 0.24 -2.92 0.09 0.00 0.00 0.00 0.00 23.12 20.53 2png s ALA 84 CO 0.08 -0.35 1.05 -1.25 0.00 0.00 0.00 175.76 175.29 2png s PRO 85 N 1.42 1.92 -0.77 0.00 0.04 -1.26 -5.00 135.00 131.35 2png s PRO 85 Ca 0.31 -0.39 -0.21 0.00 0.04 0.00 0.00 61.00 60.75 2png s PRO 85 Cb -0.16 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 32.33 2png s PRO 85 CO 0.12 -1.42 1.02 0.15 0.04 0.00 0.00 177.00 176.91 2png s LYS 86 N -5.32 3.31 0.00 4.56 1.02 -1.26 -4.86 119.74 117.20 2png s LYS 86 Ca 0.63 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2png s LYS 86 Cb -0.09 -4.53 0.00 0.00 -0.52 0.00 0.00 37.83 32.69 2png s LYS 86 CO 0.46 -1.79 0.00 0.45 -0.92 0.00 0.00 175.35 173.55 2png n SER 87 N 7.15 0.00 -3.73 2.83 2.88 -1.26 -4.75 113.62 116.75 2png n SER 87 Ca 0.08 0.18 -0.32 0.00 -1.33 0.00 0.00 58.87 57.48 2png n SER 87 Cb 0.47 -0.42 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 2png n SER 87 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2png n LYS 88 N -2.09 2.78 0.00 -1.46 2.85 -1.26 -5.35 118.16 113.63 2png n LYS 88 Ca 0.00 -4.59 0.00 0.00 -1.05 0.00 0.00 58.31 52.67 2png n LYS 88 Cb 0.00 -2.34 0.00 0.00 -0.65 0.00 0.00 35.03 32.04 2png n LYS 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44