#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 1.31 -0.32 1.61 2.15 -1.26 -5.10 116.67 115.06 2png s ASP 2 Ca 0.00 -0.29 -0.20 0.00 0.43 0.00 0.00 52.55 52.49 2png s ASP 2 Cb 0.00 -0.11 -0.01 0.00 -0.30 0.00 0.00 42.92 42.50 2png s ASP 2 CO 0.00 0.07 0.62 -0.83 -0.17 0.00 0.00 175.17 174.86 2png s GLY 3 N -0.60 1.78 0.11 2.66 0.00 -1.26 -4.89 107.32 105.12 2png s GLY 3 Ca 0.02 -0.70 0.08 0.00 0.00 0.00 0.00 44.72 44.12 2png s GLY 3 CO 0.00 1.45 1.23 0.83 0.00 0.00 0.00 173.10 176.61 2png h GLU 4 N 8.25 0.00 -5.95 2.90 4.39 -2.03 -3.45 114.58 118.68 2png h GLU 4 Ca -0.27 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.91 2png h GLU 4 Cb 1.12 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.57 2png h GLU 4 CO 0.80 0.92 -0.80 0.00 -1.16 0.00 0.00 179.01 178.78 2png s ALA 5 N -2.71 1.85 -0.07 3.43 0.00 -1.26 -5.14 121.76 117.85 2png s ALA 5 Ca 0.01 -1.35 -0.10 0.00 0.00 0.00 0.00 51.96 50.51 2png s ALA 5 Cb 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2png s ALA 5 CO 0.82 0.27 0.26 -1.14 0.00 0.00 0.00 175.76 175.97 2png s GLN 6 N -2.39 0.40 0.41 0.00 0.74 -1.26 -5.17 119.66 112.40 2png s GLN 6 Ca 0.11 0.17 0.08 0.00 0.05 0.00 0.00 55.36 55.76 2png s GLN 6 Cb -0.08 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.21 2png s GLN 6 CO 0.05 -0.07 0.41 -0.98 -0.55 0.00 0.00 175.29 174.14 2png s ARG 7 N -0.33 2.61 0.38 1.67 1.70 -1.26 -5.05 118.95 118.66 2png s ARG 7 Ca -0.04 -1.46 -0.26 0.00 -0.47 0.00 0.00 55.73 53.50 2png s ARG 7 Cb -0.03 -2.46 -0.09 0.00 -0.57 0.00 0.00 34.95 31.80 2png s ARG 7 CO 0.01 -0.18 1.14 -0.51 -1.08 0.00 0.00 175.30 174.68 2png s ASP 8 N -4.16 6.71 0.00 -2.89 1.01 -1.26 -4.89 116.67 111.19 2png s ASP 8 Ca 0.49 2.28 0.13 0.00 0.71 0.00 0.00 52.55 56.16 2png s ASP 8 Cb -0.05 -2.61 0.61 0.00 1.01 0.00 0.00 42.92 41.88 2png s ASP 8 CO 0.29 -0.54 1.41 0.18 0.21 0.00 0.00 175.17 176.71 2png n LEU 9 N 0.26 0.00 0.06 1.23 4.77 -1.26 -1.43 117.00 120.64 2png n LEU 9 Ca 0.03 0.43 -0.05 0.00 -0.03 0.00 0.00 56.01 56.40 2png n LEU 9 Cb 0.47 -0.43 0.16 0.00 -2.33 0.00 0.00 43.42 41.28 2png n LEU 9 CO 0.50 -0.23 0.58 0.58 -1.33 0.00 0.00 177.39 177.49 2png h VAL 10 N 0.00 1.33 -0.10 4.08 2.07 -1.83 0.40 116.25 122.19 2png h VAL 10 Ca 0.00 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2png h VAL 10 Cb 0.20 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2png h VAL 10 CO 0.00 0.50 0.00 0.29 0.02 0.00 0.00 177.57 178.38 2png n LYS 11 N -3.98 1.29 0.01 1.57 4.01 -0.51 -2.21 118.16 118.33 2png n LYS 11 Ca -0.02 -0.44 0.00 0.00 -0.51 0.00 0.00 58.31 57.34 2png n LYS 11 Cb 0.53 -1.19 0.00 0.00 -0.51 0.00 0.00 35.03 33.86 2png n LYS 11 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2png n ALA 12 N -0.22 3.00 -0.02 7.82 0.00 -0.97 -4.57 120.51 125.54 2png n ALA 12 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 2png n ALA 12 Cb 0.13 0.06 -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 1.31 0.00 0.00 2.07 -0.34 -2.18 116.25 117.11 2png h VAL 13 Ca 0.00 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 2png h VAL 13 Cb 0.00 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2png h VAL 13 CO 0.00 0.26 -0.32 0.00 0.02 0.00 0.00 177.57 177.53 2png h ALA 14 N 0.63 1.35 0.00 1.67 0.00 -1.51 -1.18 119.26 120.22 2png h ALA 14 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2png h ALA 14 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2png h ALA 14 CO 0.01 0.40 0.00 1.25 0.00 0.00 0.00 179.25 180.90 2png h HIS 15 N 0.00 0.00 -0.05 0.00 6.17 -1.14 0.32 115.15 120.45 2png h HIS 15 Ca -0.00 0.00 -0.16 0.00 0.71 0.00 0.00 60.37 60.92 2png h HIS 15 Cb 0.61 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.53 2png h HIS 15 CO 0.00 0.00 -0.66 0.82 0.71 0.00 0.00 177.93 178.80 2png h ILE 16 N 0.00 1.41 0.00 6.26 1.08 -0.59 -2.81 117.51 122.86 2png h ILE 16 Ca 0.00 -2.12 0.00 0.00 -0.39 0.00 0.00 64.86 62.35 2png h ILE 16 Cb 0.50 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 2png h ILE 16 CO 0.00 0.62 -0.39 0.18 -0.69 0.00 0.00 178.15 177.87 2png n LEU 17 N -3.82 0.43 0.00 1.44 4.77 -0.42 -4.93 117.00 114.47 2png n LEU 17 Ca -0.03 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2png n LEU 17 Cb 0.66 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2png n LEU 17 CO 0.45 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2png n GLY 18 N 1.47 0.55 3.60 -0.72 0.00 -0.02 -5.06 105.19 105.00 2png n GLY 18 Ca 0.05 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 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 1.71 0.00 -0.61 -4.36 0.93 -4.95 121.20 111.92 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 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 40.86 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 -0.95 0.00 0.01 0.37 0.63 -1.26 -2.93 116.66 112.53 2png n ARG 20 Ca -0.06 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.71 2png n ARG 20 Cb 0.67 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.44 2png n ARG 20 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2png h ASP 21 N 0.00 0.28 -2.71 6.15 3.58 -1.97 -3.49 116.42 118.26 2png h ASP 21 Ca 0.00 -0.56 -0.28 0.00 0.42 0.00 0.00 57.03 56.61 2png h ASP 21 Cb 0.00 -0.09 0.02 0.00 1.72 0.00 0.00 39.33 40.98 2png h ASP 21 CO 0.00 1.49 -0.39 0.18 -2.88 0.00 0.00 179.24 177.64 2png n LEU 22 N -3.33 -2.05 -0.30 2.28 7.99 -1.26 -4.90 117.00 115.43 2png n LEU 22 Ca -0.24 -0.12 0.13 0.00 -0.01 0.00 0.00 56.01 55.77 2png n LEU 22 Cb 1.05 -2.16 0.28 0.00 -0.11 0.00 0.00 43.42 42.48 2png n LEU 22 CO 0.45 0.04 0.95 0.00 -1.51 0.00 0.00 177.39 177.32 2png h ALA 23 N 0.67 1.26 -0.05 -1.18 0.00 -2.02 -2.42 119.26 115.53 2png h ALA 23 Ca -0.35 0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 2png h ALA 23 Cb 1.25 0.30 -0.34 0.00 0.00 0.00 0.00 17.79 19.00 2png h ALA 23 CO 0.39 -0.45 -0.97 0.41 0.00 0.00 0.00 179.25 178.62 2png n GLY 24 N -1.37 1.71 3.26 0.00 0.00 -1.26 -5.04 105.19 102.48 2png n GLY 24 Ca 0.21 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.86 2.41 0.33 -0.61 1.09 -0.91 -5.10 121.20 117.56 2png s ILE 25 Ca 0.34 -0.88 -0.29 0.00 -1.10 0.00 0.00 60.65 58.73 2png s ILE 25 Cb 0.38 -1.97 -0.10 0.00 -1.06 0.00 0.00 42.46 39.70 2png s ILE 25 CO -0.14 0.54 1.36 0.21 -0.10 0.00 0.00 174.94 176.81 2png s ASN 26 N 0.52 6.66 0.00 3.58 3.84 -1.26 -4.83 114.94 123.45 2png s ASN 26 Ca -0.12 2.77 0.18 0.00 0.21 0.00 0.00 52.86 55.89 2png s ASN 26 Cb -0.17 -2.65 0.25 0.00 -0.55 0.00 0.00 41.25 38.14 2png s ASN 26 CO 0.05 -0.63 1.18 0.18 -2.79 0.00 0.00 177.10 175.09 2png n LEU 27 N 0.90 2.83 0.01 3.21 4.77 -1.26 -4.18 117.00 123.28 2png n LEU 27 Ca 0.01 -1.30 0.11 0.00 -0.03 0.00 0.00 56.01 54.80 2png n LEU 27 Cb 0.41 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2png n LEU 27 CO 0.60 0.57 0.00 0.47 -1.33 0.00 0.00 177.39 177.71 2png n ASP 28 N 1.08 0.71 -4.74 -1.43 9.92 -1.26 -4.71 116.55 116.12 2png n ASP 28 Ca 0.13 -0.54 -0.41 0.00 -0.53 0.00 0.00 54.79 53.43 2png n ASP 28 Cb 0.48 0.88 -0.03 0.00 -0.64 0.00 0.00 41.12 41.82 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2png s SER 29 N -3.40 6.76 0.69 -2.24 0.01 -1.26 -4.96 113.70 109.32 2png s SER 29 Ca 0.06 2.52 -0.15 0.00 1.31 0.00 0.00 55.95 59.69 2png s SER 29 Cb 0.16 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.79 2png s SER 29 CO 0.82 -0.63 1.17 -0.44 0.41 0.00 0.00 173.24 174.57 2png s SER 30 N 0.47 4.59 0.45 2.44 0.01 -1.26 -4.26 113.70 116.14 2png s SER 30 Ca 0.59 2.24 0.13 0.00 1.31 0.00 0.00 55.95 60.22 2png s SER 30 Cb -0.39 -2.58 1.00 0.00 0.21 0.00 0.00 66.02 64.26 2png s SER 30 CO 0.39 -1.99 2.02 0.25 0.41 0.00 0.00 173.24 174.32 2png h LEU 31 N -0.08 0.11 -0.81 2.44 5.85 -0.56 0.07 115.31 122.34 2png h LEU 31 Ca -0.48 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 2png h LEU 31 Cb 1.28 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2png h LEU 31 CO 0.52 0.21 -0.54 0.00 -0.34 0.00 0.00 178.44 178.28 2png h ALA 32 N 1.81 0.98 -0.36 1.25 0.00 -1.70 -0.67 119.26 120.56 2png h ALA 32 Ca 0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 2png h ALA 32 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2png h ALA 32 CO 0.01 0.67 -0.30 0.22 0.00 0.00 0.00 179.25 179.85 2png h ASP 33 N 0.00 0.82 -0.03 0.00 1.82 -1.29 -2.94 116.42 114.80 2png h ASP 33 Ca -0.01 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.30 2png h ASP 33 Cb 1.04 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.82 2png h ASP 33 CO 0.07 1.06 0.01 -0.07 -1.61 0.00 0.00 179.24 178.70 2png h LEU 34 N 0.67 0.04 0.00 2.28 3.38 -0.91 -3.46 115.31 117.31 2png h LEU 34 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2png h LEU 34 Cb 0.84 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2png h LEU 34 CO 0.07 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2png n GLY 35 N -0.80 0.00 3.63 0.83 0.00 -0.64 -5.11 105.19 103.10 2png n GLY 35 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 3.94 0.00 0.99 2.96 -0.35 -4.57 118.68 121.66 2png s LEU 36 Ca 0.00 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 2png s LEU 36 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2png s LEU 36 CO 0.00 -1.37 0.00 -0.67 -1.32 0.00 0.00 176.35 172.99 2png n ASP 37 N 9.00 0.00 0.00 3.68 2.03 -1.26 -4.53 116.55 125.47 2png n ASP 37 Ca 0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2png n ASP 37 Cb 0.44 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 -2.04 0.00 0.12 1.67 7.64 -1.26 -4.87 113.62 114.88 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 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.20 0.00 -3.43 5.85 -1.98 -2.14 115.31 113.81 2png h LEU 39 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2png h LEU 39 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2png h LEU 39 CO 0.00 0.51 0.00 0.23 -0.34 0.00 0.00 178.44 178.84 2png n MET 40 N -4.12 0.68 0.00 1.25 2.81 -1.26 -0.44 117.12 116.05 2png n MET 40 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2png n MET 40 Cb 0.40 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 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 0.27 0.00 0.07 3.03 0.00 -0.90 -4.59 105.19 103.07 2png n GLY 41 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 1.32 -0.55 1.61 2.07 -0.77 -1.36 116.25 118.57 2png h VAL 42 Ca 0.00 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.61 2png h VAL 42 Cb 0.86 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 2png h VAL 42 CO 0.00 0.26 0.22 -0.08 0.02 0.00 0.00 177.57 178.00 2png h GLU 43 N -0.33 0.41 0.33 1.57 4.57 -1.02 0.22 114.58 120.32 2png h GLU 43 Ca 0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2png h GLU 43 Cb 0.43 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2png h GLU 43 CO 0.00 0.27 -0.20 0.28 -1.18 0.00 0.00 179.01 178.18 2png h VAL 44 N 0.42 0.58 -0.46 0.32 2.07 -1.72 -0.50 116.25 116.96 2png h VAL 44 Ca 0.27 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.81 2png h VAL 44 Cb 0.27 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2png h VAL 44 CO -0.25 0.00 0.27 0.03 0.02 0.00 0.00 177.57 177.64 2png h ARG 45 N -0.51 0.52 0.00 1.57 3.08 -0.65 0.66 114.38 119.06 2png h ARG 45 Ca -0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2png h ARG 45 Cb 0.42 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 2png h ARG 45 CO 0.04 0.35 -0.12 1.96 -1.07 0.00 0.00 179.97 181.13 2png h GLN 46 N 0.54 0.00 0.04 0.04 1.08 -0.28 0.10 115.11 116.62 2png h GLN 46 Ca 0.18 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2png h GLN 46 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2png h GLN 46 CO -0.08 0.12 -0.02 0.82 -0.95 0.00 0.00 178.83 178.72 2png h ILE 47 N 0.00 0.00 -0.83 2.54 2.04 -0.12 -3.34 117.51 117.80 2png h ILE 47 Ca -0.00 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2png h ILE 47 Cb 0.35 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 2png h ILE 47 CO 0.02 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 178.65 2png h LEU 48 N -0.41 0.95 -1.48 1.44 -0.00 -0.77 0.29 115.31 115.33 2png h LEU 48 Ca -0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 2png h LEU 48 Cb 0.04 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 2png h LEU 48 CO 0.01 0.68 0.01 -0.33 -0.00 0.00 0.00 178.44 178.80 2png h GLU 49 N 1.11 0.34 0.02 1.13 5.08 -1.06 0.21 114.58 121.42 2png h GLU 49 Ca 0.31 -0.06 -0.34 0.00 -1.00 0.00 0.00 59.36 58.27 2png h GLU 49 Cb -0.10 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 2png h GLU 49 CO -0.07 0.37 -2.08 0.54 -1.00 0.00 0.00 179.01 176.76 2png n ARG 50 N -4.35 0.67 -0.02 2.33 3.00 -0.41 -2.43 116.66 115.44 2png n ARG 50 Ca 0.00 0.17 -0.13 0.00 -0.01 0.00 0.00 57.85 57.89 2png n ARG 50 Cb 0.19 -1.65 -0.11 0.00 0.00 0.00 0.00 32.46 30.89 2png n ARG 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2png h GLU 51 N 0.01 -0.02 0.00 5.56 4.39 -0.40 -3.41 114.58 120.72 2png h GLU 51 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2png h GLU 51 Cb 2.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.73 2png h GLU 51 CO 0.04 0.60 0.00 1.58 -1.16 0.00 0.00 179.01 180.07 2png n HIS 52 N -4.80 0.00 -1.55 4.33 -0.00 -0.13 -4.99 115.22 108.08 2png n HIS 52 Ca -0.09 -0.07 -0.16 0.00 0.46 0.00 0.00 57.72 57.86 2png n HIS 52 Cb 0.31 -0.01 -0.06 0.00 -0.12 0.00 0.00 29.99 30.11 2png n HIS 52 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2png n ASP 53 N -0.07 -4.95 -4.42 0.26 2.03 0.56 -4.93 116.55 105.04 2png n ASP 53 Ca 0.00 0.36 -0.45 0.00 0.52 0.00 0.00 54.79 55.23 2png n ASP 53 Cb 0.32 -3.90 -0.02 0.00 -0.72 0.00 0.00 41.12 36.80 2png n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2png s LEU 54 N -3.79 5.44 -0.78 -2.67 2.96 -0.54 -4.78 118.68 114.52 2png s LEU 54 Ca 0.00 -2.22 -0.18 0.00 -0.22 0.00 0.00 54.13 51.50 2png s LEU 54 Cb 0.00 -2.36 0.13 0.00 0.50 0.00 0.00 46.19 44.47 2png s LEU 54 CO 0.00 -0.94 0.91 0.54 -1.32 0.00 0.00 176.35 175.54 2png s VAL 55 N 2.07 4.89 -0.26 1.68 0.11 -1.26 -3.76 120.40 123.87 2png s VAL 55 Ca 0.30 -1.45 -0.13 0.00 -2.93 0.00 0.00 61.98 57.76 2png s VAL 55 Cb -0.06 -4.62 -0.04 0.00 -1.53 0.00 0.00 36.38 30.13 2png s VAL 55 CO -0.09 -1.29 0.30 -0.76 -3.33 0.00 0.00 175.10 169.93 2png s LEU 56 N 2.32 4.05 0.99 2.54 1.43 -1.26 -5.08 118.68 123.67 2png s LEU 56 Ca 0.22 0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.38 2png s LEU 56 Cb -0.13 -2.32 0.19 0.00 0.03 0.00 0.00 46.19 43.96 2png s LEU 56 CO -0.02 -0.11 1.21 -2.84 0.23 0.00 0.00 176.35 174.82 2png s PRO 57 N 1.79 0.49 0.25 1.29 0.02 -1.26 -4.67 135.00 132.92 2png s PRO 57 Ca 0.12 -0.10 -0.04 0.00 0.02 0.00 0.00 61.00 61.01 2png s PRO 57 Cb -0.15 -1.80 0.40 0.00 0.02 0.00 0.00 34.50 32.96 2png s PRO 57 CO 0.09 -2.56 1.84 0.82 -0.33 0.00 0.00 177.00 176.86 2png h ILE 58 N -1.75 0.98 -0.15 2.83 5.03 -1.97 -0.15 117.51 122.33 2png h ILE 58 Ca -0.46 -0.32 0.04 0.00 -0.12 0.00 0.00 64.86 64.00 2png h ILE 58 Cb 1.28 -0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 35.03 2png h ILE 58 CO 0.46 0.17 0.22 0.08 -0.68 0.00 0.00 178.15 178.40 2png h ARG 59 N 0.94 0.00 0.00 2.37 -0.00 -2.00 0.10 114.38 115.79 2png h ARG 59 Ca 0.41 0.00 -0.41 0.00 -0.00 0.00 0.00 59.98 59.98 2png h ARG 59 Cb 0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.18 2png h ARG 59 CO -0.21 0.00 -2.47 0.39 -0.00 0.00 0.00 179.97 177.68 2png n GLU 60 N -3.55 0.62 0.18 0.08 1.02 -0.28 -4.43 120.64 114.28 2png n GLU 60 Ca 0.01 0.18 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 2png n GLU 60 Cb 0.32 -1.50 0.67 0.00 -0.02 0.00 0.00 31.44 30.92 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 -0.31 0.88 0.00 2.62 2.07 -0.56 -1.88 116.25 119.07 2png h VAL 61 Ca -0.61 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2png h VAL 61 Cb 1.79 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2png h VAL 61 CO -0.19 0.00 0.00 0.03 0.02 0.00 0.00 177.57 177.43 2png h ARG 62 N 0.00 0.00 -0.35 1.57 3.08 -1.03 -1.48 114.38 116.18 2png h ARG 62 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2png h ARG 62 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2png h ARG 62 CO -0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 2png n GLN 63 N -2.34 2.91 -2.33 0.04 3.00 -0.71 -0.31 117.38 117.63 2png n GLN 63 Ca -0.01 -2.24 -0.41 0.00 -0.01 0.00 0.00 57.00 54.34 2png n GLN 63 Cb 0.08 -1.40 -0.03 0.00 0.00 0.00 0.00 30.24 28.89 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 -1.36 3.30 0.00 1.08 1.43 -0.56 -4.65 118.68 117.92 2png s LEU 64 Ca 0.28 0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2png s LEU 64 Cb 0.17 -2.76 -0.22 0.00 0.03 0.00 0.00 46.19 43.41 2png s LEU 64 CO 0.15 -1.94 3.07 0.35 0.23 0.00 0.00 176.35 178.22 2png n THR 65 N 6.82 2.49 0.00 5.49 -2.24 -1.26 -2.98 114.28 122.60 2png n THR 65 Ca 0.12 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 2png n THR 65 Cb 0.50 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 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 2.54 0.00 0.11 3.22 -0.00 -1.26 -3.72 117.00 117.88 2png n LEU 66 Ca 0.35 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.48 2png n LEU 66 Cb 0.76 0.00 0.45 0.00 -0.00 0.00 0.00 43.42 44.63 2png n LEU 66 CO 0.13 0.00 0.88 0.54 -0.00 0.00 0.00 177.39 178.94 2png n ARG 67 N 0.00 0.22 0.21 1.96 5.12 -1.26 -1.74 116.66 121.16 2png n ARG 67 Ca 0.00 0.29 0.07 0.00 -1.93 0.00 0.00 57.85 56.28 2png n ARG 67 Cb 0.00 -1.81 0.47 0.00 -1.16 0.00 0.00 32.46 29.96 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 -0.82 5.56 3.64 -1.87 -2.63 116.57 120.45 2png h LYS 68 Ca 0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2png h LYS 68 Cb 0.57 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 2png h LYS 68 CO 0.00 0.28 0.49 -0.07 -2.27 0.00 0.00 179.45 177.88 2png h LEU 69 N 0.00 0.73 0.00 5.20 -0.00 -1.64 -0.23 115.31 119.37 2png h LEU 69 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2png h LEU 69 Cb 0.65 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2png h LEU 69 CO 0.04 0.45 -0.03 0.06 -0.00 0.00 0.00 178.44 178.95 2png h GLN 70 N 0.86 0.00 -0.16 1.13 3.07 -1.61 -2.30 115.11 116.10 2png h GLN 70 Ca 0.38 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.92 2png h GLN 70 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 2png h GLN 70 CO -0.21 0.00 -0.68 1.49 0.09 0.00 0.00 178.83 179.52 2png h GLU 71 N 0.00 0.65 -0.71 0.06 4.22 -0.87 -2.97 114.58 114.96 2png h GLU 71 Ca 0.00 -0.48 -0.27 0.00 0.08 0.00 0.00 59.36 58.69 2png h GLU 71 Cb 0.97 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 30.14 2png h GLU 71 CO 0.00 1.11 0.29 0.00 -2.18 0.00 0.00 179.01 178.23 2png n MET 72 N -3.92 3.03 0.29 1.92 0.00 -0.23 -4.55 117.12 113.66 2png n MET 72 Ca -0.05 -3.07 0.15 0.00 0.00 0.00 0.00 57.70 54.73 2png n MET 72 Cb 0.69 -2.12 0.88 0.00 0.00 0.00 0.00 33.22 32.67 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 1.95 0.00 0.00 3.17 4.64 -1.24 -3.46 113.55 118.61 2png h SER 73 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2png h SER 73 Cb 2.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.39 2png h SER 73 CO 0.74 0.04 0.00 -1.20 -0.87 0.00 0.00 176.83 175.54 2png n SER 74 N -3.64 -2.20 -4.49 4.97 7.64 -1.26 -4.89 113.62 109.76 2png n SER 74 Ca -0.02 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.51 2png n SER 74 Cb 0.14 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.96 3.69 -2.10 1.43 -2.85 -1.26 -4.44 119.74 113.24 2png s LYS 75 Ca 0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 2png s LYS 75 Cb 0.00 -3.11 0.00 0.00 -2.06 0.00 0.00 37.83 32.66 2png s LYS 75 CO 0.00 0.07 0.00 0.00 0.10 0.00 0.00 175.35 175.52 2png n ALA 76 N 4.10 -0.35 -0.13 0.59 0.00 -1.26 -4.83 120.51 118.63 2png n ALA 76 Ca -0.17 0.31 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 2png n ALA 76 Cb 0.52 -2.04 -0.11 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.55 -0.47 3.39 0.00 0.00 -1.26 -4.71 105.19 101.59 2png n GLY 77 Ca -0.21 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 2png n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2png s SER 78 N -7.29 6.62 -0.08 1.61 0.15 -1.26 -4.67 113.70 108.78 2png s SER 78 Ca -0.37 -2.21 -0.19 0.00 0.70 0.00 0.00 55.95 53.87 2png s SER 78 Cb 0.13 -2.31 -0.29 0.00 -1.71 0.00 0.00 66.02 61.84 2png s SER 78 CO 0.52 -0.88 0.71 -0.78 1.20 0.00 0.00 173.24 174.02 2png h ASP 79 N 8.47 0.39 -1.68 5.45 3.58 -1.84 -3.45 116.42 127.34 2png h ASP 79 Ca 0.07 -0.89 -0.13 0.00 0.42 0.00 0.00 57.03 56.50 2png h ASP 79 Cb 1.04 -0.13 -0.28 0.00 1.72 0.00 0.00 39.33 41.68 2png h ASP 79 CO 0.96 1.48 -0.47 -0.89 -2.88 0.00 0.00 179.24 177.44 2png s THR 80 N -2.44 -0.68 -1.04 2.25 2.01 -1.26 -4.93 115.64 109.55 2png s THR 80 Ca -0.17 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 2png s THR 80 Cb 0.02 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.63 2png s THR 80 CO 0.79 -0.17 0.91 -0.62 -0.69 0.00 0.00 174.62 174.84 2png n GLU 81 N 5.37 -6.11 0.00 4.92 -0.58 -1.26 -4.15 120.64 118.83 2png n GLU 81 Ca -0.01 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 2png n GLU 81 Cb 0.50 -5.11 0.00 0.00 -0.57 0.00 0.00 31.44 26.26 2png n GLU 81 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2png n LEU 82 N -3.95 0.00 -0.00 -4.62 7.94 -1.26 -0.77 117.00 114.34 2png n LEU 82 Ca -0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 2png n LEU 82 Cb 0.55 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.47 2png n LEU 82 CO 0.50 0.00 -0.23 0.00 -1.11 0.00 0.00 177.39 176.55 2png n ALA 83 N 4.12 2.48 -2.74 1.96 0.00 -1.26 -4.25 120.51 120.82 2png n ALA 83 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 2png n ALA 83 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 2png n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2png n ALA 84 N -1.34 -3.25 -1.93 0.00 0.00 0.05 -4.82 120.51 109.22 2png n ALA 84 Ca 0.00 1.27 -0.32 0.00 0.00 0.00 0.00 53.44 54.40 2png n ALA 84 Cb 0.10 -2.58 -0.04 0.00 0.00 0.00 0.00 19.45 16.93 2png n ALA 84 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2png s PRO 85 N -1.03 2.43 -0.16 0.00 0.02 -1.26 -4.86 135.00 130.13 2png s PRO 85 Ca -0.13 0.40 -0.05 0.00 0.02 0.00 0.00 61.00 61.24 2png s PRO 85 Cb 0.01 -4.68 0.08 0.00 0.02 0.00 0.00 34.50 29.93 2png s PRO 85 CO 0.66 -3.20 0.29 0.21 -0.33 0.00 0.00 177.00 174.64 2png s LYS 86 N 7.38 0.20 -0.13 5.54 2.47 -1.26 -5.13 119.74 128.82 2png s LYS 86 Ca 0.75 0.70 -0.09 0.00 -1.56 0.00 0.00 55.97 55.76 2png s LYS 86 Cb -0.11 -0.18 0.04 0.00 -1.46 0.00 0.00 37.83 36.12 2png s LYS 86 CO 0.13 -0.37 0.33 0.45 0.16 0.00 0.00 175.35 176.05 2png s SER 87 N 2.45 -0.37 0.04 1.43 0.15 -1.26 -5.08 113.70 111.05 2png s SER 87 Ca 0.03 0.70 -0.25 0.00 0.70 0.00 0.00 55.95 57.12 2png s SER 87 Cb -0.13 0.63 -0.14 0.00 -1.71 0.00 0.00 66.02 64.68 2png s SER 87 CO -0.10 -0.15 1.31 0.50 1.20 0.00 0.00 173.24 176.00 2png h LYS 88 N 6.46 -0.87 0.00 5.44 3.64 -2.04 -3.57 116.57 125.64 2png h LYS 88 Ca -0.33 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2png h LYS 88 Cb 1.18 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2png h LYS 88 CO 0.32 -0.58 0.00 -1.71 -2.27 0.00 0.00 179.45 175.21