#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 -0.50 0.00 1.61 -4.77 -1.26 -5.02 116.67 106.73 2png s ASP 2 Ca 0.00 0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.46 2png s ASP 2 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 42.92 42.31 2png s ASP 2 CO 0.00 -0.69 0.00 0.61 0.70 0.00 0.00 175.17 175.79 2png n GLY 3 N 0.10 1.47 3.06 2.12 0.00 -1.26 -4.90 105.19 105.78 2png n GLY 3 Ca -0.14 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 2png n GLY 3 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2png s GLU 4 N 0.00 1.99 -0.30 1.61 2.56 -1.26 -5.01 118.70 118.28 2png s GLU 4 Ca 0.00 -2.14 -0.12 0.00 0.00 0.00 0.00 54.97 52.71 2png s GLU 4 Cb 0.00 -3.47 0.14 0.00 2.00 0.00 0.00 34.13 32.80 2png s GLU 4 CO 0.00 -1.07 0.75 0.00 -0.56 0.00 0.00 175.26 174.39 2png s ALA 5 N 0.55 -2.23 0.09 6.30 0.00 -1.26 -4.28 121.76 120.93 2png s ALA 5 Ca 0.12 2.27 -0.03 0.00 0.00 0.00 0.00 51.96 54.32 2png s ALA 5 Cb -0.22 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 2png s ALA 5 CO -0.04 -0.90 0.07 -0.65 0.00 0.00 0.00 175.76 174.24 2png s GLN 6 N 2.68 0.80 -0.03 0.00 -0.21 -1.26 -5.04 119.66 116.59 2png s GLN 6 Ca -0.05 -1.22 -0.17 0.00 0.02 0.00 0.00 55.36 53.94 2png s GLN 6 Cb -0.10 0.26 -0.10 0.00 1.00 0.00 0.00 33.01 34.08 2png s GLN 6 CO -0.19 -0.22 0.71 0.07 -2.12 0.00 0.00 175.29 173.55 2png h ARG 7 N 2.93 -0.50 0.00 2.91 0.11 -2.02 -3.50 114.38 114.30 2png h ARG 7 Ca -0.34 0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.77 2png h ARG 7 Cb 1.18 0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2png h ARG 7 CO 0.60 -0.28 0.00 -3.47 0.10 0.00 0.00 179.97 176.92 2png n ASP 8 N -5.12 0.00 0.01 0.08 2.03 -1.26 -4.94 116.55 107.34 2png n ASP 8 Ca -0.07 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.11 2png n ASP 8 Cb 0.23 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.49 2png n ASP 8 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2png h LEU 9 N 0.00 0.16 -0.04 -2.67 3.38 -1.91 -3.23 115.31 111.00 2png h LEU 9 Ca 0.00 -0.31 -0.25 0.00 0.09 0.00 0.00 57.88 57.41 2png h LEU 9 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2png h LEU 9 CO 0.00 1.27 -1.08 0.58 0.09 0.00 0.00 178.44 179.30 2png h VAL 10 N 0.03 1.44 0.00 1.22 2.07 -1.86 0.48 116.25 119.63 2png h VAL 10 Ca -0.28 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.53 2png h VAL 10 Cb 2.00 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 34.42 2png h VAL 10 CO 0.10 0.80 0.00 0.29 0.02 0.00 0.00 177.57 178.78 2png n LYS 11 N -3.66 0.66 0.02 1.57 4.01 -1.26 -1.07 118.16 118.44 2png n LYS 11 Ca -0.08 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.71 2png n LYS 11 Cb 0.92 -1.40 -0.00 0.00 -0.51 0.00 0.00 35.03 34.04 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 -0.90 2.59 -0.08 7.82 0.00 -1.04 -4.53 120.51 124.38 2png n ALA 12 Ca 0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2png n ALA 12 Cb 0.06 0.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.13 1.18 -0.19 0.00 2.07 -0.05 -0.44 116.25 118.69 2png h VAL 13 Ca 0.00 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 2png h VAL 13 Cb 0.13 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2png h VAL 13 CO 0.00 0.18 -0.31 0.00 0.02 0.00 0.00 177.57 177.46 2png h ALA 14 N 0.93 1.12 -0.38 1.67 0.00 -1.26 -2.01 119.26 119.33 2png h ALA 14 Ca 0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2png h ALA 14 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2png h ALA 14 CO -0.01 0.56 0.03 1.25 0.00 0.00 0.00 179.25 181.08 2png h HIS 15 N 0.33 0.60 -0.80 0.00 6.17 -0.97 0.24 115.15 120.72 2png h HIS 15 Ca 0.04 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 2png h HIS 15 Cb 0.71 -0.18 -0.04 0.00 2.52 0.00 0.00 27.41 30.43 2png h HIS 15 CO 0.02 0.56 0.48 0.82 0.71 0.00 0.00 177.93 180.52 2png h ILE 16 N 0.56 1.23 0.00 6.26 1.08 -0.38 -2.47 117.51 123.78 2png h ILE 16 Ca 0.12 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 2png h ILE 16 Cb 0.31 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 2png h ILE 16 CO 0.01 0.24 0.00 -0.07 -0.69 0.00 0.00 178.15 177.63 2png h LEU 17 N 1.10 0.00 0.00 1.44 3.38 -0.66 -3.46 115.31 117.11 2png h LEU 17 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2png h LEU 17 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2png h LEU 17 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2png n GLY 18 N 0.77 1.02 3.53 0.83 0.00 -0.16 -5.08 105.19 106.10 2png n GLY 18 Ca 0.04 -0.13 -0.25 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 1.01 0.00 -0.61 -4.36 0.68 -4.98 121.20 110.94 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 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.16 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 -0.87 0.00 0.16 0.37 0.63 -1.26 -2.27 116.66 113.42 2png n ARG 20 Ca -0.06 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.80 2png n ARG 20 Cb 0.66 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.54 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 -0.38 -0.91 6.15 3.32 -1.97 -3.47 116.42 119.16 2png h ASP 21 Ca 0.00 0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.80 2png h ASP 21 Cb 0.00 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.56 2png h ASP 21 CO 0.00 -0.12 -0.26 0.18 -1.72 0.00 0.00 179.24 177.32 2png n LEU 22 N -4.02 -1.10 0.21 1.55 7.99 -1.26 -4.86 117.00 115.50 2png n LEU 22 Ca -0.06 0.25 0.10 0.00 -0.01 0.00 0.00 56.01 56.30 2png n LEU 22 Cb 0.17 -1.99 0.19 0.00 -0.11 0.00 0.00 43.42 41.68 2png n LEU 22 CO 0.13 -0.56 0.76 0.00 -1.51 0.00 0.00 177.39 176.21 2png h ALA 23 N 0.14 0.94 -0.47 -1.18 0.00 -2.03 -3.33 119.26 113.33 2png h ALA 23 Ca -0.28 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.25 2png h ALA 23 Cb 0.94 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.45 2png h ALA 23 CO 0.39 0.13 -0.74 0.41 0.00 0.00 0.00 179.25 179.44 2png n GLY 24 N 1.02 1.43 3.30 0.00 0.00 -1.26 -5.10 105.19 104.57 2png n GLY 24 Ca 0.03 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.30 1.56 -0.69 -0.61 -1.09 -1.25 -5.06 121.20 112.75 2png s ILE 25 Ca 0.24 -2.01 -0.26 0.00 -2.23 0.00 0.00 60.65 56.40 2png s ILE 25 Cb 0.42 -1.84 -0.08 0.00 -1.58 0.00 0.00 42.46 39.38 2png s ILE 25 CO -0.03 -0.52 2.23 0.20 -1.23 0.00 0.00 174.94 175.59 2png s ASN 26 N -2.95 4.52 0.24 3.58 -0.87 -1.26 -4.76 114.94 113.43 2png s ASN 26 Ca 0.17 0.28 0.13 0.00 -1.57 0.00 0.00 52.86 51.87 2png s ASN 26 Cb -0.02 -2.53 0.06 0.00 -0.02 0.00 0.00 41.25 38.74 2png s ASN 26 CO 0.05 -3.12 1.43 -0.07 -2.57 0.00 0.00 177.10 172.83 2png h LEU 27 N 19.77 0.00 -2.01 0.60 3.38 -1.97 -3.29 115.31 131.79 2png h LEU 27 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2png h LEU 27 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2png h LEU 27 CO 1.13 0.65 0.00 0.47 0.09 0.00 0.00 178.44 180.78 2png n ASP 28 N -3.33 2.99 -4.70 -0.43 8.00 -1.26 -4.29 116.55 113.53 2png n ASP 28 Ca 0.01 -2.27 -0.37 0.00 0.71 0.00 0.00 54.79 52.87 2png n ASP 28 Cb 0.77 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.71 6.35 0.39 -2.24 0.01 -1.24 -5.06 113.70 111.20 2png s SER 29 Ca 0.29 0.40 -0.11 0.00 1.31 0.00 0.00 55.95 57.85 2png s SER 29 Cb 0.19 -2.17 -0.06 0.00 0.21 0.00 0.00 66.02 64.19 2png s SER 29 CO 0.14 0.06 0.76 -0.44 0.41 0.00 0.00 173.24 174.17 2png s SER 30 N 0.70 6.53 0.16 2.44 0.01 -1.26 -4.37 113.70 117.90 2png s SER 30 Ca 0.14 1.12 0.16 0.00 1.31 0.00 0.00 55.95 58.69 2png s SER 30 Cb -0.13 -2.32 0.73 0.00 0.21 0.00 0.00 66.02 64.51 2png s SER 30 CO 0.04 -0.38 1.49 0.18 0.41 0.00 0.00 173.24 174.98 2png n LEU 31 N -1.23 0.34 0.14 2.44 4.32 0.48 -0.66 117.00 122.84 2png n LEU 31 Ca 0.02 0.62 -0.01 0.00 -0.02 0.00 0.00 56.01 56.62 2png n LEU 31 Cb 0.54 -0.61 0.19 0.00 -1.62 0.00 0.00 43.42 41.93 2png n LEU 31 CO 0.47 -0.57 0.52 0.00 -1.22 0.00 0.00 177.39 176.59 2png h ALA 32 N 2.20 1.01 -0.04 -1.18 0.00 -1.38 0.12 119.26 119.99 2png h ALA 32 Ca 0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.15 2png h ALA 32 Cb 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2png h ALA 32 CO 0.00 0.73 -0.85 0.22 0.00 0.00 0.00 179.25 179.35 2png h ASP 33 N 0.00 0.82 -0.55 0.00 3.58 -1.18 -3.24 116.42 115.85 2png h ASP 33 Ca -0.01 -0.71 -0.08 0.00 0.42 0.00 0.00 57.03 56.65 2png h ASP 33 Cb 1.05 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 2png h ASP 33 CO 0.08 1.42 0.03 -0.07 -2.88 0.00 0.00 179.24 177.81 2png h LEU 34 N 0.30 0.93 -0.72 2.28 3.38 -1.36 -3.49 115.31 116.63 2png h LEU 34 Ca -0.09 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2png h LEU 34 Cb 1.51 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2png h LEU 34 CO 0.17 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.30 2png n GLY 35 N -0.45 -0.58 3.81 0.83 0.00 0.41 -5.09 105.19 104.13 2png n GLY 35 Ca 0.02 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.05 4.02 0.00 0.99 0.05 -1.13 -4.69 118.68 117.86 2png s LEU 36 Ca 0.00 0.24 0.00 0.00 0.05 0.00 0.00 54.13 54.42 2png s LEU 36 Cb 0.00 -2.23 0.00 0.00 -2.05 0.00 0.00 46.19 41.91 2png s LEU 36 CO 0.00 0.31 0.00 -0.67 -0.55 0.00 0.00 176.35 175.44 2png n ASP 37 N 1.43 0.00 0.00 1.48 2.03 -1.26 -4.83 116.55 115.40 2png n ASP 37 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2png n ASP 37 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 0.00 0.00 -0.10 1.67 3.41 -1.26 -4.62 113.62 112.72 2png n SER 38 Ca 0.00 0.03 -0.17 0.00 -0.26 0.00 0.00 58.87 58.47 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 -0.11 -0.16 0.00 0.00 175.04 174.77 2png n LEU 39 N -0.18 2.19 -0.24 1.04 7.94 -1.26 -4.46 117.00 122.03 2png n LEU 39 Ca 0.00 0.08 0.04 0.00 -1.11 0.00 0.00 56.01 55.02 2png n LEU 39 Cb 0.00 -0.63 0.16 0.00 0.53 0.00 0.00 43.42 43.49 2png n LEU 39 CO 0.00 0.62 0.94 0.24 -1.11 0.00 0.00 177.39 178.08 2png h MET 40 N -0.37 0.29 0.00 1.96 2.86 -1.94 0.25 114.93 117.98 2png h MET 40 Ca -0.47 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2png h MET 40 Cb 1.55 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.14 2png h MET 40 CO -0.19 0.19 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2png n GLY 41 N -1.34 -1.07 0.18 8.32 0.00 -1.26 -2.21 105.19 107.81 2png n GLY 41 Ca 0.13 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2png n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2png n VAL 42 N -1.58 1.46 -0.29 1.61 0.31 0.21 -3.87 118.33 116.17 2png n VAL 42 Ca 0.04 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2png n VAL 42 Cb 0.19 -1.93 0.13 0.00 -0.91 0.00 0.00 33.84 31.32 2png n VAL 42 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2png h GLU 43 N -0.95 0.87 -0.16 5.55 4.57 -0.60 0.13 114.58 123.98 2png h GLU 43 Ca -0.57 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.53 2png h GLU 43 Cb 1.49 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2png h GLU 43 CO -0.35 0.58 -0.01 0.28 -1.18 0.00 0.00 179.01 178.33 2png h VAL 44 N 0.90 1.26 -0.67 0.32 2.07 -1.67 -2.97 116.25 115.48 2png h VAL 44 Ca 0.36 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2png h VAL 44 Cb 0.18 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2png h VAL 44 CO -0.18 0.26 0.39 -0.09 0.02 0.00 0.00 177.57 177.98 2png h ARG 45 N 0.03 0.91 0.00 1.57 2.43 -1.44 -0.79 114.38 117.09 2png h ARG 45 Ca 0.05 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2png h ARG 45 Cb 0.40 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2png h ARG 45 CO 0.01 0.66 0.00 1.04 -1.51 0.00 0.00 179.97 180.17 2png n GLN 46 N -4.56 0.92 -0.11 0.20 6.02 0.36 -0.52 117.38 119.69 2png n GLN 46 Ca 0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.82 2png n GLN 46 Cb 0.06 -1.42 -0.08 0.00 1.02 0.00 0.00 30.24 29.83 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 -0.92 1.31 0.11 5.09 5.41 -0.43 -3.80 119.36 126.14 2png n ILE 47 Ca 0.19 -0.25 -0.11 0.00 1.00 0.00 0.00 62.75 63.58 2png n ILE 47 Cb 0.09 -1.88 -0.07 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 -0.84 -0.30 0.23 1.39 -0.00 -1.15 -2.12 115.31 112.52 2png h LEU 48 Ca -0.51 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.88 57.15 2png h LEU 48 Cb 1.42 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 2png h LEU 48 CO -0.31 0.18 -0.11 -0.08 -0.00 0.00 0.00 178.44 178.13 2png h GLU 49 N -0.94 -0.30 -0.42 1.13 4.81 0.04 0.50 114.58 119.41 2png h GLU 49 Ca -0.04 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2png h GLU 49 Cb 0.49 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2png h GLU 49 CO 0.06 0.05 0.27 -0.09 -0.73 0.00 0.00 179.01 178.57 2png h ARG 50 N -0.94 0.57 0.00 1.92 2.43 -1.66 -1.65 114.38 115.05 2png h ARG 50 Ca -0.03 -0.04 -0.33 0.00 -0.81 0.00 0.00 59.98 58.77 2png h ARG 50 Cb 0.48 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 2png h ARG 50 CO 0.05 0.40 -1.82 0.39 -1.51 0.00 0.00 179.97 177.49 2png n GLU 51 N -4.77 0.57 0.00 0.20 1.02 -0.83 -4.48 120.64 112.35 2png n GLU 51 Ca 0.01 0.42 0.12 0.00 -0.02 0.00 0.00 57.16 57.70 2png n GLU 51 Cb 0.04 -1.62 0.30 0.00 -0.02 0.00 0.00 31.44 30.14 2png n GLU 51 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2png n HIS 52 N -4.36 0.00 -1.00 -0.32 8.25 -0.78 -4.93 115.22 112.08 2png n HIS 52 Ca -0.41 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.05 2png n HIS 52 Cb 0.76 -0.17 -0.00 0.00 1.12 0.00 0.00 29.99 31.70 2png n HIS 52 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2png n ASP 53 N -1.03 -3.70 -4.55 0.41 8.00 -0.12 -4.96 116.55 110.61 2png n ASP 53 Ca 0.09 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.18 2png n ASP 53 Cb 0.34 -1.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.21 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 -0.02 3.19 -1.06 0.64 1.02 -0.02 -4.82 118.68 117.60 2png s LEU 54 Ca 0.00 -0.31 -0.23 0.00 0.02 0.00 0.00 54.13 53.61 2png s LEU 54 Cb 0.00 -2.58 -0.02 0.00 0.02 0.00 0.00 46.19 43.62 2png s LEU 54 CO 0.00 -1.91 1.80 -0.69 0.02 0.00 0.00 176.35 175.57 2png s VAL 55 N 6.21 3.68 -0.40 -1.59 1.01 -1.26 -1.75 120.40 126.30 2png s VAL 55 Ca 0.40 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 2png s VAL 55 Cb -0.09 -4.57 0.02 0.00 0.00 0.00 0.00 36.38 31.74 2png s VAL 55 CO 0.16 -1.35 0.28 -0.76 0.00 0.00 0.00 175.10 173.43 2png s LEU 56 N 8.27 5.01 0.93 3.92 1.43 -1.26 -5.04 118.68 131.94 2png s LEU 56 Ca 0.62 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 2png s LEU 56 Cb -0.02 -2.13 0.17 0.00 0.03 0.00 0.00 46.19 44.24 2png s LEU 56 CO 0.02 -0.43 1.26 -2.84 0.23 0.00 0.00 176.35 174.59 2png s PRO 57 N 1.65 0.92 0.60 1.29 0.02 -1.26 -4.73 135.00 133.49 2png s PRO 57 Ca 0.04 -0.20 0.30 0.00 0.02 0.00 0.00 61.00 61.16 2png s PRO 57 Cb -0.19 -1.86 1.71 0.00 0.02 0.00 0.00 34.50 34.18 2png s PRO 57 CO 0.09 -2.25 2.12 0.82 -0.33 0.00 0.00 177.00 177.44 2png h ILE 58 N -1.53 0.42 0.00 2.83 5.03 -1.96 0.20 117.51 122.51 2png h ILE 58 Ca -0.45 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.29 2png h ILE 58 Cb 1.27 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 35.91 2png h ILE 58 CO 0.47 0.00 0.00 0.03 -0.68 0.00 0.00 178.15 177.97 2png h ARG 59 N 0.00 0.00 0.00 2.37 -0.00 -2.00 0.49 114.38 115.24 2png h ARG 59 Ca 0.07 0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 59.32 2png h ARG 59 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.38 2png h ARG 59 CO -0.00 0.00 -1.77 0.39 0.00 0.00 0.00 179.97 178.58 2png n GLU 60 N -2.77 0.30 0.10 0.04 -0.58 0.49 -4.72 120.64 113.50 2png n GLU 60 Ca -0.01 0.13 0.11 0.00 -0.42 0.00 0.00 57.16 56.98 2png n GLU 60 Cb 0.13 -1.01 0.60 0.00 -0.57 0.00 0.00 31.44 30.59 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 -0.52 0.93 0.00 2.62 2.07 -0.75 -2.24 116.25 118.36 2png h VAL 61 Ca -0.36 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2png h VAL 61 Cb 1.30 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2png h VAL 61 CO -0.22 0.03 0.00 -0.09 0.02 0.00 0.00 177.57 177.31 2png h ARG 62 N 0.15 0.00 -0.60 1.57 2.43 -1.14 -2.59 114.38 114.21 2png h ARG 62 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2png h ARG 62 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2png h ARG 62 CO -0.02 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 179.48 2png n GLN 63 N -2.62 2.68 -2.31 0.20 3.00 -0.84 -1.15 117.38 116.34 2png n GLN 63 Ca 0.03 -2.47 -0.37 0.00 -0.01 0.00 0.00 57.00 54.18 2png n GLN 63 Cb 0.34 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 29.07 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 -1.08 4.05 0.00 1.08 1.43 -0.98 -4.81 118.68 118.37 2png s LEU 64 Ca 0.42 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2png s LEU 64 Cb 0.22 -4.22 0.00 0.00 0.03 0.00 0.00 46.19 42.23 2png s LEU 64 CO 0.30 -0.83 0.00 0.35 0.23 0.00 0.00 176.35 176.40 2png n THR 65 N -0.38 0.00 0.15 5.49 -2.24 -1.26 -0.38 114.28 115.65 2png n THR 65 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2png n THR 65 Cb 0.48 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.92 -2.62 0.00 3.22 -0.00 -1.26 -4.32 117.00 111.10 2png n LEU 66 Ca 0.00 0.58 0.12 0.00 -0.00 0.00 0.00 56.01 56.71 2png n LEU 66 Cb 0.00 2.61 0.65 0.00 -0.00 0.00 0.00 43.42 46.69 2png n LEU 66 CO 0.00 0.03 0.90 0.54 -0.00 0.00 0.00 177.39 178.86 2png n ARG 67 N -3.08 0.53 0.20 1.96 5.12 -1.26 -1.14 116.66 119.00 2png n ARG 67 Ca 0.00 0.04 0.08 0.00 -1.93 0.00 0.00 57.85 56.03 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 -0.27 5.56 3.64 -1.94 -2.93 116.57 120.63 2png h LYS 68 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2png h LYS 68 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2png h LYS 68 CO 0.00 0.30 0.13 -0.07 -2.27 0.00 0.00 179.45 177.54 2png h LEU 69 N 0.00 0.35 -1.10 5.20 -0.00 -1.51 0.06 115.31 118.32 2png h LEU 69 Ca -0.00 -0.13 -0.08 0.00 -0.00 0.00 0.00 57.88 57.67 2png h LEU 69 Cb 0.84 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2png h LEU 69 CO 0.04 0.38 -0.37 0.06 -0.00 0.00 0.00 178.44 178.55 2png h GLN 70 N 0.30 0.00 0.00 1.13 3.07 -1.71 -0.46 115.11 117.44 2png h GLN 70 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.77 2png h GLN 70 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 2png h GLN 70 CO -0.01 0.37 -0.30 1.49 0.09 0.00 0.00 178.83 180.48 2png h GLU 71 N 0.00 0.00 -0.20 0.06 4.81 -1.22 -2.59 114.58 115.44 2png h GLU 71 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2png h GLU 71 Cb 0.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2png h GLU 71 CO 0.05 0.30 -0.01 -1.33 -0.73 0.00 0.00 179.01 177.28 2png n MET 72 N -3.79 2.39 0.05 1.92 2.81 -0.04 -4.68 117.12 115.78 2png n MET 72 Ca -0.01 -2.81 -0.04 0.00 -1.81 0.00 0.00 57.70 53.03 2png n MET 72 Cb 0.39 -1.75 0.18 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.25 0.39 -3.57 7.83 4.64 -0.70 -3.47 113.55 119.92 2png h SER 73 Ca 0.02 -0.16 -0.34 0.00 -0.47 0.00 0.00 61.79 60.83 2png h SER 73 Cb 1.34 -0.11 0.04 0.00 -0.31 0.00 0.00 62.40 63.36 2png h SER 73 CO 0.17 0.75 -0.50 -0.24 -0.87 0.00 0.00 176.83 176.15 2png n SER 74 N -4.03 -5.35 -4.41 4.97 2.88 -1.26 -4.91 113.62 101.50 2png n SER 74 Ca -0.01 -0.20 -0.44 0.00 -1.33 0.00 0.00 58.87 56.88 2png n SER 74 Cb 0.49 -4.24 -0.05 0.00 -0.75 0.00 0.00 64.21 59.66 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 -5.39 3.09 -0.24 -1.46 1.02 -1.26 -4.76 119.74 110.73 2png s LYS 75 Ca 0.21 -1.07 -0.10 0.00 0.02 0.00 0.00 55.97 55.03 2png s LYS 75 Cb -0.09 -4.19 -0.16 0.00 -0.52 0.00 0.00 37.83 32.86 2png s LYS 75 CO 0.26 -1.45 -0.15 0.00 -0.92 0.00 0.00 175.35 173.09 2png n ALA 76 N 6.46 1.17 0.00 5.17 0.00 -1.26 -4.98 120.51 127.06 2png n ALA 76 Ca -0.07 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2png n ALA 76 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 1.66 1.25 3.14 0.00 0.00 -1.26 -4.72 105.19 105.27 2png n GLY 77 Ca -0.46 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 1.47 0.34 1.61 0.15 -1.26 -4.77 113.70 111.24 2png s SER 78 Ca 0.00 -0.57 0.08 0.00 0.70 0.00 0.00 55.95 56.16 2png s SER 78 Cb 0.00 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 2png s SER 78 CO 0.00 -0.09 0.29 1.51 1.20 0.00 0.00 173.24 176.16 2png s ASP 79 N -1.58 5.22 -0.11 5.45 -4.77 -1.26 -5.03 116.67 114.60 2png s ASP 79 Ca -0.03 -0.54 0.15 0.00 -3.30 0.00 0.00 52.55 48.83 2png s ASP 79 Cb -0.09 -0.91 0.33 0.00 -1.09 0.00 0.00 42.92 41.15 2png s ASP 79 CO 0.02 -0.38 1.16 1.07 0.70 0.00 0.00 175.17 177.73 2png n THR 80 N -1.38 1.27 -2.41 2.11 5.66 -1.26 -5.08 114.28 113.20 2png n THR 80 Ca -0.01 -2.00 -0.33 0.00 -3.05 0.00 0.00 64.05 58.65 2png n THR 80 Cb 0.60 0.17 -0.03 0.00 -1.55 0.00 0.00 70.33 69.53 2png n THR 80 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2png s GLU 81 N -1.89 3.73 -0.41 1.09 2.02 -1.26 -5.01 118.70 116.97 2png s GLU 81 Ca 0.30 1.23 -0.03 0.00 0.02 0.00 0.00 54.97 56.49 2png s GLU 81 Cb 0.30 -2.09 0.11 0.00 0.10 0.00 0.00 34.13 32.55 2png s GLU 81 CO -0.06 -0.48 0.21 -0.51 0.02 0.00 0.00 175.26 174.44 2png s LEU 82 N -3.82 5.24 -0.91 1.80 1.43 -1.26 -5.02 118.68 116.14 2png s LEU 82 Ca 0.64 -1.99 -0.18 0.00 -1.03 0.00 0.00 54.13 51.58 2png s LEU 82 Cb -0.15 -1.84 0.14 0.00 0.03 0.00 0.00 46.19 44.38 2png s LEU 82 CO 0.26 -0.55 1.07 0.00 0.23 0.00 0.00 176.35 177.36 2png s ALA 83 N 1.16 3.48 -0.25 4.21 0.00 -1.26 -4.91 121.76 124.19 2png s ALA 83 Ca 0.08 -2.85 -0.26 0.00 0.00 0.00 0.00 51.96 48.92 2png s ALA 83 Cb -0.23 -3.97 0.12 0.00 0.00 0.00 0.00 23.12 19.04 2png s ALA 83 CO -0.04 -2.87 0.98 0.00 0.00 0.00 0.00 175.76 173.83 2png s ALA 84 N 2.29 -1.94 0.63 0.00 0.00 -1.26 -5.16 121.76 116.32 2png s ALA 84 Ca 0.30 1.81 -0.18 0.00 0.00 0.00 0.00 51.96 53.89 2png s ALA 84 Cb -0.06 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 2png s ALA 84 CO -0.09 -0.27 1.29 -2.14 0.00 0.00 0.00 175.76 174.55 2png s PRO 85 N -0.08 2.65 0.04 0.00 0.02 -1.26 -4.95 135.00 131.43 2png s PRO 85 Ca 0.01 2.04 0.09 0.00 0.02 0.00 0.00 61.00 63.17 2png s PRO 85 Cb -0.04 -1.88 -0.22 0.00 0.02 0.00 0.00 34.50 32.37 2png s PRO 85 CO -0.03 -1.51 0.99 0.87 -0.33 0.00 0.00 177.00 176.98 2png h LYS 86 N 0.66 0.01 -6.07 5.54 1.79 -2.01 -3.42 116.57 113.07 2png h LYS 86 Ca -0.51 -0.02 -0.58 0.00 -2.18 0.00 0.00 60.65 57.36 2png h LYS 86 Cb 1.33 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.93 2png h LYS 86 CO 0.54 0.78 0.75 0.45 -1.08 0.00 0.00 179.45 180.88 2png s SER 87 N -6.45 7.08 0.28 0.86 0.15 -1.26 -5.03 113.70 109.34 2png s SER 87 Ca -0.02 1.36 0.06 0.00 0.70 0.00 0.00 55.95 58.05 2png s SER 87 Cb 0.09 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 2png s SER 87 CO 0.82 -0.63 0.38 -1.59 1.20 0.00 0.00 173.24 173.42 2png s LYS 88 N 3.06 3.23 0.00 5.44 0.00 -1.26 -5.20 119.74 125.01 2png s LYS 88 Ca 0.43 -0.91 0.00 0.00 0.00 0.00 0.00 55.97 55.49 2png s LYS 88 Cb -0.15 -2.81 0.00 0.00 0.00 0.00 0.00 37.83 34.87 2png s LYS 88 CO 0.07 0.28 0.00 -1.71 0.00 0.00 0.00 175.35 173.99