#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 7.12 0.17 1.61 -4.77 -1.26 -4.59 116.67 114.96 2png s ASP 2 Ca 0.00 1.46 0.08 0.00 -3.30 0.00 0.00 52.55 50.79 2png s ASP 2 Cb 0.00 -2.43 -0.04 0.00 -1.09 0.00 0.00 42.92 39.35 2png s ASP 2 CO 0.00 0.07 -0.03 -0.83 0.70 0.00 0.00 175.17 175.08 2png s GLY 3 N -1.54 1.73 0.15 2.12 0.00 -1.26 -5.08 107.32 103.44 2png s GLY 3 Ca 0.41 -1.39 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 2png s GLY 3 CO 0.22 -1.41 0.33 -1.83 0.00 0.00 0.00 173.10 170.41 2png s GLU 4 N -2.90 3.52 -0.33 2.90 -1.05 -1.26 -4.62 118.70 114.95 2png s GLU 4 Ca 0.27 -0.33 -0.07 0.00 -0.15 0.00 0.00 54.97 54.68 2png s GLU 4 Cb -0.09 -2.90 0.01 0.00 -0.44 0.00 0.00 34.13 30.71 2png s GLU 4 CO 0.18 0.48 0.28 0.00 0.95 0.00 0.00 175.26 177.14 2png n ALA 5 N -0.24 -3.23 -1.65 -0.84 0.00 -1.26 -4.86 120.51 108.43 2png n ALA 5 Ca -0.04 0.77 -0.48 0.00 0.00 0.00 0.00 53.44 53.68 2png n ALA 5 Cb 0.53 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.73 2png n ALA 5 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2png n GLN 6 N 0.15 1.90 -2.99 0.00 -0.06 -1.26 -4.99 117.38 110.13 2png n GLN 6 Ca 0.06 0.69 -0.19 0.00 -2.00 0.00 0.00 57.00 55.55 2png n GLN 6 Cb 0.21 -2.43 0.05 0.00 -4.06 0.00 0.00 30.24 24.01 2png n GLN 6 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 2png s ARG 7 N 1.17 2.42 0.40 3.69 1.70 -1.26 -5.09 118.95 121.97 2png s ARG 7 Ca 0.82 -1.47 -0.18 0.00 -0.47 0.00 0.00 55.73 54.42 2png s ARG 7 Cb -0.75 -2.65 -0.10 0.00 -0.57 0.00 0.00 34.95 30.87 2png s ARG 7 CO 0.42 -0.73 0.87 -0.51 -1.08 0.00 0.00 175.30 174.27 2png s ASP 8 N -4.58 6.85 0.09 -2.89 1.01 -1.26 -4.95 116.67 110.95 2png s ASP 8 Ca 0.60 1.52 0.23 0.00 0.71 0.00 0.00 52.55 55.61 2png s ASP 8 Cb -0.07 -2.47 0.91 0.00 1.01 0.00 0.00 42.92 42.30 2png s ASP 8 CO 0.38 -0.32 1.71 0.18 0.21 0.00 0.00 175.17 177.33 2png n LEU 9 N -0.63 0.30 0.08 1.23 4.77 -1.26 -1.88 117.00 119.61 2png n LEU 9 Ca 0.06 0.55 -0.06 0.00 -0.03 0.00 0.00 56.01 56.52 2png n LEU 9 Cb 0.54 -0.48 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 2png n LEU 9 CO 0.39 -0.23 0.40 0.58 -1.33 0.00 0.00 177.39 177.21 2png h VAL 10 N 0.00 1.42 -0.21 4.08 2.07 -1.88 0.46 116.25 122.19 2png h VAL 10 Ca 0.00 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 2png h VAL 10 Cb 0.44 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2png h VAL 10 CO 0.00 0.64 0.00 0.29 0.02 0.00 0.00 177.57 178.52 2png n LYS 11 N -3.81 2.38 0.09 1.57 4.01 -0.79 -2.28 118.16 119.34 2png n LYS 11 Ca -0.03 -1.12 0.00 0.00 -0.51 0.00 0.00 58.31 56.65 2png n LYS 11 Cb 0.68 -1.77 0.00 0.00 -0.51 0.00 0.00 35.03 33.43 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 -0.04 7.82 0.00 -0.96 -4.67 120.51 125.89 2png n ALA 12 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 2png n ALA 12 Cb 0.58 0.08 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 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 1.42 0.00 0.00 2.07 -0.25 -3.21 116.25 116.28 2png h VAL 13 Ca 0.00 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 2png h VAL 13 Cb 0.00 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2png h VAL 13 CO 0.00 0.44 -0.17 0.00 0.02 0.00 0.00 177.57 177.86 2png h ALA 14 N -0.03 1.41 -0.07 1.67 0.00 -1.53 -1.01 119.26 119.69 2png h ALA 14 Ca -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2png h ALA 14 Cb 0.74 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2png h ALA 14 CO 0.01 0.22 0.07 1.25 0.00 0.00 0.00 179.25 180.79 2png h HIS 15 N 0.00 0.00 0.09 0.00 6.17 -1.34 0.15 115.15 120.22 2png h HIS 15 Ca -0.00 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 60.82 2png h HIS 15 Cb 0.39 0.00 0.01 0.00 2.52 0.00 0.00 27.41 30.32 2png h HIS 15 CO 0.00 0.00 -1.15 0.82 0.71 0.00 0.00 177.93 178.31 2png h ILE 16 N 0.00 1.43 0.01 6.26 1.08 -1.18 -3.30 117.51 121.81 2png h ILE 16 Ca 0.03 -2.77 -0.22 0.00 -0.39 0.00 0.00 64.86 61.52 2png h ILE 16 Cb 0.16 2.74 -0.03 0.00 -3.07 0.00 0.00 36.82 36.63 2png h ILE 16 CO -0.00 0.82 -1.04 -0.07 -0.69 0.00 0.00 178.15 177.17 2png h LEU 17 N 0.15 0.03 0.00 1.44 3.38 -1.25 -3.47 115.31 115.58 2png h LEU 17 Ca -0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2png h LEU 17 Cb 1.84 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2png h LEU 17 CO 0.20 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.36 2png n GLY 18 N 1.37 1.99 3.31 0.83 0.00 0.29 -5.12 105.19 107.85 2png n GLY 18 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 1.16 0.00 -0.61 -4.36 0.16 -4.99 121.20 110.55 2png s ILE 19 Ca 0.00 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.33 2png s ILE 19 Cb 0.00 -2.19 0.00 0.00 1.25 0.00 0.00 42.46 41.52 2png s ILE 19 CO 0.00 -0.46 0.00 -1.14 0.24 0.00 0.00 174.94 173.58 2png n ARG 20 N -0.36 0.00 0.04 0.37 0.63 -1.26 -2.97 116.66 113.11 2png n ARG 20 Ca -0.07 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.69 2png n ARG 20 Cb 0.63 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.47 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 0.76 -2.79 6.15 3.32 -1.95 -3.48 116.42 118.43 2png h ASP 21 Ca 0.00 -0.59 -0.41 0.00 0.02 0.00 0.00 57.03 56.06 2png h ASP 21 Cb 0.00 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2png h ASP 21 CO 0.00 1.38 -0.51 0.18 -1.72 0.00 0.00 179.24 178.57 2png n LEU 22 N -3.83 -1.90 0.00 1.55 7.99 -1.26 -4.85 117.00 114.70 2png n LEU 22 Ca -0.09 0.01 0.12 0.00 -0.01 0.00 0.00 56.01 56.04 2png n LEU 22 Cb 0.84 -2.88 0.70 0.00 -0.11 0.00 0.00 43.42 41.97 2png n LEU 22 CO 0.53 -0.26 0.94 0.00 -1.51 0.00 0.00 177.39 177.09 2png n ALA 23 N -1.79 2.62 -2.62 -1.18 0.00 -1.26 -3.45 120.51 112.83 2png n ALA 23 Ca -0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.04 2png n ALA 23 Cb 0.68 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 0.84 0.91 3.16 0.00 0.00 -1.26 -5.13 105.19 103.71 2png n GLY 24 Ca 0.18 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 0.09 1.16 0.15 -0.61 -1.09 -1.22 -5.11 121.20 114.56 2png s ILE 25 Ca 0.07 -1.11 -0.31 0.00 -2.23 0.00 0.00 60.65 57.06 2png s ILE 25 Cb 0.29 -1.07 -0.09 0.00 -1.58 0.00 0.00 42.46 40.00 2png s ILE 25 CO -0.08 -0.05 1.51 0.20 -1.23 0.00 0.00 174.94 175.29 2png s ASN 26 N -1.33 6.66 0.00 3.58 -0.87 -1.26 -4.88 114.94 116.84 2png s ASN 26 Ca 0.01 2.53 0.22 0.00 -1.57 0.00 0.00 52.86 54.05 2png s ASN 26 Cb -0.09 -2.59 0.43 0.00 -0.02 0.00 0.00 41.25 38.99 2png s ASN 26 CO 0.02 -0.77 1.39 0.18 -2.57 0.00 0.00 177.10 175.35 2png n LEU 27 N 3.91 3.46 -0.46 0.60 4.77 -1.26 -3.91 117.00 124.11 2png n LEU 27 Ca 0.13 -1.58 0.04 0.00 -0.03 0.00 0.00 56.01 54.57 2png n LEU 27 Cb 0.40 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2png n LEU 27 CO 0.60 0.77 0.55 -0.90 -1.33 0.00 0.00 177.39 177.08 2png n ASP 28 N 1.43 2.49 -4.70 -1.43 5.75 -1.26 -4.63 116.55 114.19 2png n ASP 28 Ca 0.19 -1.86 -0.38 0.00 -0.01 0.00 0.00 54.79 52.74 2png n ASP 28 Cb 0.59 -0.14 -0.07 0.00 -1.03 0.00 0.00 41.12 40.47 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2png s SER 29 N -0.94 6.58 0.60 -1.12 0.01 -1.25 -4.98 113.70 112.60 2png s SER 29 Ca 0.16 0.69 -0.10 0.00 1.31 0.00 0.00 55.95 58.00 2png s SER 29 Cb 0.09 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 2png s SER 29 CO 0.12 -0.03 1.00 -0.44 0.41 0.00 0.00 173.24 174.30 2png s SER 30 N 0.77 6.22 0.60 2.44 0.01 -1.26 -3.55 113.70 118.93 2png s SER 30 Ca 0.23 1.35 0.38 0.00 1.31 0.00 0.00 55.95 59.21 2png s SER 30 Cb -0.15 -2.43 1.89 0.00 0.21 0.00 0.00 66.02 65.54 2png s SER 30 CO 0.09 -0.84 2.19 -0.07 0.41 0.00 0.00 173.24 175.02 2png h LEU 31 N -0.25 0.00 -1.10 2.44 3.38 -0.39 0.23 115.31 119.62 2png h LEU 31 Ca -0.44 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 2png h LEU 31 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2png h LEU 31 CO 0.62 0.02 -0.11 0.00 0.09 0.00 0.00 178.44 179.06 2png h ALA 32 N 1.98 1.25 0.00 1.53 0.00 -1.47 -0.29 119.26 122.25 2png h ALA 32 Ca -0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2png h ALA 32 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2png h ALA 32 CO 0.00 0.49 -0.45 -0.44 0.00 0.00 0.00 179.25 178.85 2png h ASP 33 N 0.47 0.00 0.60 0.00 3.32 -0.82 -2.72 116.42 117.27 2png h ASP 33 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2png h ASP 33 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2png h ASP 33 CO 0.03 0.45 -0.26 0.18 -1.72 0.00 0.00 179.24 177.92 2png n LEU 34 N -3.58 0.38 0.00 1.55 7.99 -0.84 -4.93 117.00 117.57 2png n LEU 34 Ca -0.00 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 2png n LEU 34 Cb 0.55 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 2png n LEU 34 CO 0.38 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.96 2png n GLY 35 N 1.44 1.35 3.63 -0.72 0.00 -0.72 -5.04 105.19 105.13 2png n GLY 35 Ca 0.08 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 3.84 0.00 0.99 0.20 -0.20 -4.72 118.68 118.79 2png s LEU 36 Ca 0.00 1.27 0.00 0.00 0.69 0.00 0.00 54.13 56.09 2png s LEU 36 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 2png s LEU 36 CO 0.00 -1.18 0.00 -0.90 -0.29 0.00 0.00 176.35 173.98 2png n ASP 37 N 8.05 0.28 0.00 3.68 5.75 -1.26 -4.71 116.55 128.33 2png n ASP 37 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 2png n ASP 37 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2png n ASP 37 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2png n SER 38 N -1.97 0.00 -0.11 -1.12 3.41 -1.26 -4.57 113.62 108.00 2png n SER 38 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 2png n SER 38 Cb 0.06 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.71 -1.84 1.04 5.85 -1.98 -0.12 115.31 118.97 2png h LEU 39 Ca 0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2png h LEU 39 Cb 0.00 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2png h LEU 39 CO 0.00 0.67 -0.05 0.24 -0.34 0.00 0.00 178.44 178.96 2png h MET 40 N 0.76 0.04 0.00 1.25 2.86 -1.92 0.14 114.93 118.06 2png h MET 40 Ca 0.17 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2png h MET 40 Cb 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2png h MET 40 CO -0.01 0.09 -0.39 0.78 1.06 0.00 0.00 176.91 178.44 2png h GLY 41 N 0.23 0.00 0.00 8.32 0.00 -1.28 -3.25 103.07 107.10 2png h GLY 41 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 2png h GLY 41 CO 0.01 0.00 -1.49 -0.62 0.00 0.00 0.00 176.54 174.44 2png n VAL 42 N -2.24 1.54 0.19 4.60 0.31 -0.21 -3.78 118.33 118.73 2png n VAL 42 Ca 0.04 -0.09 0.03 0.00 -0.01 0.00 0.00 64.34 64.31 2png n VAL 42 Cb 0.45 -2.01 0.39 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.99 0.03 -0.71 5.55 4.81 -0.95 0.87 114.58 123.18 2png h GLU 43 Ca -0.41 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2png h GLU 43 Cb 1.36 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 2png h GLU 43 CO -0.25 0.34 0.27 0.28 -0.73 0.00 0.00 179.01 178.93 2png h VAL 44 N 0.02 1.25 0.00 0.32 2.07 -1.75 -1.59 116.25 116.56 2png h VAL 44 Ca 0.00 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 2png h VAL 44 Cb 0.57 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2png h VAL 44 CO 0.04 0.32 -0.51 0.03 0.02 0.00 0.00 177.57 177.47 2png h ARG 45 N 1.04 0.00 0.00 1.57 3.08 -1.18 0.20 114.38 119.09 2png h ARG 45 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2png h ARG 45 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2png h ARG 45 CO -0.02 0.51 0.00 1.96 -1.07 0.00 0.00 179.97 181.35 2png h GLN 46 N 0.00 0.00 0.00 0.04 4.20 0.08 0.38 115.11 119.81 2png h GLN 46 Ca -0.01 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 2png h GLN 46 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 2png h GLN 46 CO 0.07 0.00 -1.09 -0.89 -0.67 0.00 0.00 178.83 176.25 2png n ILE 47 N -2.39 1.48 0.08 2.54 5.41 -0.77 -3.72 119.36 121.99 2png n ILE 47 Ca 0.01 0.08 -0.10 0.00 1.00 0.00 0.00 62.75 63.74 2png n ILE 47 Cb 0.22 -2.28 -0.07 0.00 -0.71 0.00 0.00 39.64 36.81 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 -1.00 -0.24 -0.50 1.39 -0.00 -0.56 -2.07 115.31 112.33 2png h LEU 48 Ca -0.12 -0.28 -0.15 0.00 -0.00 0.00 0.00 57.88 57.33 2png h LEU 48 Cb 0.96 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 2png h LEU 48 CO -0.07 0.28 -0.41 -0.08 -0.00 0.00 0.00 178.44 178.16 2png h GLU 49 N -0.90 0.77 0.00 1.13 4.81 0.49 0.22 114.58 121.10 2png h GLU 49 Ca -0.03 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 2png h GLU 49 Cb 0.50 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2png h GLU 49 CO 0.05 1.04 -1.72 -2.13 -0.73 0.00 0.00 179.01 175.51 2png n ARG 50 N -4.04 0.64 -0.06 1.92 0.63 0.03 -3.70 116.66 112.08 2png n ARG 50 Ca -0.02 -0.05 -0.07 0.00 -0.92 0.00 0.00 57.85 56.79 2png n ARG 50 Cb 0.54 -1.63 -0.02 0.00 0.45 0.00 0.00 32.46 31.80 2png n ARG 50 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2png n GLU 51 N -2.50 0.42 0.06 -0.14 1.02 -0.79 -4.60 120.64 114.10 2png n GLU 51 Ca -0.07 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 2png n GLU 51 Cb 0.66 -1.23 0.42 0.00 -0.02 0.00 0.00 31.44 31.28 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 -4.19 0.51 -3.15 -0.32 8.25 -1.03 -4.93 115.22 110.37 2png n HIS 52 Ca -0.11 0.15 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 2png n HIS 52 Cb 0.41 -0.71 0.07 0.00 1.12 0.00 0.00 29.99 30.88 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 -1.94 -5.35 -3.91 0.41 2.03 -0.36 -4.99 116.55 102.43 2png n ASP 53 Ca 0.06 -0.63 -0.31 0.00 0.52 0.00 0.00 54.79 54.43 2png n ASP 53 Cb 0.40 -4.80 -0.15 0.00 -0.72 0.00 0.00 41.12 35.84 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 -5.36 3.82 -1.15 -2.67 1.02 0.62 -4.93 118.68 110.03 2png s LEU 54 Ca 0.33 -1.97 -0.20 0.00 0.02 0.00 0.00 54.13 52.31 2png s LEU 54 Cb -0.04 -1.34 0.08 0.00 0.02 0.00 0.00 46.19 44.90 2png s LEU 54 CO 0.68 -0.39 1.54 -0.69 0.02 0.00 0.00 176.35 177.51 2png s VAL 55 N 1.16 4.19 -0.45 -1.59 1.01 -1.26 -1.77 120.40 121.69 2png s VAL 55 Ca 0.11 -1.52 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 2png s VAL 55 Cb -0.18 -5.08 0.05 0.00 0.00 0.00 0.00 36.38 31.17 2png s VAL 55 CO -0.14 -1.91 0.40 -0.76 0.00 0.00 0.00 175.10 172.69 2png s LEU 56 N 4.11 5.35 0.97 3.92 1.43 -1.26 -5.05 118.68 128.15 2png s LEU 56 Ca 0.48 -1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.35 2png s LEU 56 Cb 0.01 -2.23 0.17 0.00 0.03 0.00 0.00 46.19 44.18 2png s LEU 56 CO -0.01 -0.61 1.10 -2.84 0.23 0.00 0.00 176.35 174.21 2png s PRO 57 N 1.80 0.62 0.57 1.29 0.02 -1.26 -4.69 135.00 133.36 2png s PRO 57 Ca 0.06 0.52 0.26 0.00 0.02 0.00 0.00 61.00 61.86 2png s PRO 57 Cb -0.22 -1.76 1.63 0.00 0.02 0.00 0.00 34.50 34.18 2png s PRO 57 CO 0.09 -2.60 2.18 0.82 -0.33 0.00 0.00 177.00 177.15 2png h ILE 58 N -1.80 0.63 0.00 2.83 5.03 -1.97 0.19 117.51 122.42 2png h ILE 58 Ca -0.53 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.17 2png h ILE 58 Cb 1.32 0.94 -0.01 0.00 -3.03 0.00 0.00 36.82 36.05 2png h ILE 58 CO 0.58 0.00 -0.19 0.03 -0.68 0.00 0.00 178.15 177.89 2png h ARG 59 N 0.00 0.00 0.00 2.37 -0.00 -2.00 0.14 114.38 114.88 2png h ARG 59 Ca 0.04 0.00 -0.38 0.00 -0.50 0.00 0.00 59.98 59.14 2png h ARG 59 Cb 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 30.09 2png h ARG 59 CO -0.00 0.19 -2.43 0.39 0.00 0.00 0.00 179.97 178.11 2png n GLU 60 N -3.72 0.67 0.02 0.04 -0.58 0.44 -4.44 120.64 113.06 2png n GLU 60 Ca -0.02 0.08 -0.03 0.00 -0.42 0.00 0.00 57.16 56.78 2png n GLU 60 Cb 0.30 -1.52 0.21 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.00 1.27 0.00 2.62 2.07 -0.67 -3.09 116.25 118.45 2png h VAL 61 Ca -0.56 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2png h VAL 61 Cb 2.05 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2png h VAL 61 CO -0.04 0.40 0.00 0.03 0.02 0.00 0.00 177.57 177.98 2png h ARG 62 N 0.41 0.00 -0.53 1.57 3.08 -0.95 -1.26 114.38 116.70 2png h ARG 62 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2png h ARG 62 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2png h ARG 62 CO 0.05 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.95 2png n GLN 63 N -2.66 3.12 -2.38 0.04 0.00 -1.17 -1.29 117.38 113.04 2png n GLN 63 Ca -0.01 -2.55 -0.43 0.00 0.00 0.00 0.00 57.00 54.00 2png n GLN 63 Cb 0.10 -1.60 -0.02 0.00 0.00 0.00 0.00 30.24 28.72 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 -1.47 4.00 -0.21 2.61 1.43 -0.48 -4.79 118.68 119.77 2png s LEU 64 Ca 0.40 1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 54.95 2png s LEU 64 Cb 0.24 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 43.06 2png s LEU 64 CO 0.22 -0.98 2.06 0.35 0.23 0.00 0.00 176.35 178.22 2png n THR 65 N 5.91 2.54 0.00 5.49 -2.24 -1.26 -1.21 114.28 123.52 2png n THR 65 Ca 0.15 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 2png n THR 65 Cb 0.46 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 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 0.78 0.00 0.14 3.22 -0.00 -1.23 -3.88 117.00 116.03 2png n LEU 66 Ca 0.21 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.35 2png n LEU 66 Cb 0.56 0.00 0.42 0.00 -0.00 0.00 0.00 43.42 44.39 2png n LEU 66 CO 0.25 0.00 0.88 0.03 -0.00 0.00 0.00 177.39 178.55 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.89 -1.63 114.38 115.29 2png h ARG 67 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 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 -0.09 -0.22 0.56 0.00 0.00 179.97 180.22 2png h LYS 68 N 0.00 0.00 0.00 0.04 3.64 -1.89 -2.20 116.57 116.17 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 0.66 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2png h LYS 68 CO 0.00 0.09 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.13 2png h LEU 69 N 0.00 0.00 -1.39 5.20 -0.00 -1.62 0.12 115.31 117.62 2png h LEU 69 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2png h LEU 69 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2png h LEU 69 CO 0.01 0.07 0.00 0.00 -0.00 0.00 0.00 178.44 178.52 2png n GLN 70 N -4.30 1.91 -0.13 1.13 10.64 -0.83 -1.31 117.38 124.50 2png n GLN 70 Ca -0.03 -1.38 -0.18 0.00 -1.83 0.00 0.00 57.00 53.58 2png n GLN 70 Cb 0.15 -1.41 -0.12 0.00 -0.86 0.00 0.00 30.24 27.99 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 0.60 0.65 -0.14 2.61 1.02 -0.38 -4.32 120.64 120.68 2png n GLU 71 Ca 0.17 0.15 0.04 0.00 -0.02 0.00 0.00 57.16 57.50 2png n GLU 71 Cb 0.39 -1.52 0.11 0.00 -0.02 0.00 0.00 31.44 30.40 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2png n MET 72 N -3.29 1.63 0.28 3.49 2.81 0.27 -4.06 117.12 118.27 2png n MET 72 Ca -0.46 -0.88 0.15 0.00 -1.81 0.00 0.00 57.70 54.69 2png n MET 72 Cb 0.99 -1.25 0.85 0.00 -0.71 0.00 0.00 33.22 33.10 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 1.40 0.00 -4.74 7.83 4.64 -1.39 -3.47 113.55 117.82 2png h SER 73 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2png h SER 73 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2png h SER 73 CO 0.02 0.05 -0.42 -1.20 -0.87 0.00 0.00 176.83 174.41 2png n SER 74 N -3.70 -6.59 -3.62 4.97 7.64 -1.26 -4.82 113.62 106.25 2png n SER 74 Ca -0.02 0.49 -0.27 0.00 1.01 0.00 0.00 58.87 60.07 2png n SER 74 Cb 0.15 -4.38 -0.16 0.00 -1.01 0.00 0.00 64.21 58.81 2png n SER 74 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2png s LYS 75 N -2.13 0.21 -0.49 1.43 1.02 -1.26 -5.07 119.74 113.44 2png s LYS 75 Ca 0.17 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.61 2png s LYS 75 Cb -0.05 -1.75 0.02 0.00 -0.52 0.00 0.00 37.83 35.53 2png s LYS 75 CO 0.59 -0.75 1.26 0.00 -0.92 0.00 0.00 175.35 175.54 2png s ALA 76 N 2.07 3.04 -0.96 5.17 0.00 -1.26 -4.86 121.76 124.95 2png s ALA 76 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2png s ALA 76 Cb -0.16 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 18.99 2png s ALA 76 CO -0.15 -2.49 0.53 0.41 0.00 0.00 0.00 175.76 174.06 2png n GLY 77 N 5.02 1.53 2.79 0.00 0.00 -1.26 -4.62 105.19 108.66 2png n GLY 77 Ca 0.13 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 0.03 0.54 -0.10 1.61 0.01 -1.26 -5.04 113.70 109.50 2png s SER 78 Ca 0.00 -0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.18 2png s SER 78 Cb 0.00 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 2png s SER 78 CO 0.00 -0.13 -0.16 -0.67 0.41 0.00 0.00 173.24 172.69 2png n ASP 79 N 4.34 1.06 -0.02 2.44 -0.08 -1.26 -4.76 116.55 118.27 2png n ASP 79 Ca -0.23 0.17 -0.16 0.00 -1.51 0.00 0.00 54.79 53.06 2png n ASP 79 Cb 0.50 -0.41 -0.10 0.00 2.34 0.00 0.00 41.12 43.45 2png n ASP 79 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2png h THR 80 N -0.45 1.42 -1.95 5.18 2.02 -1.99 -3.45 112.91 113.69 2png h THR 80 Ca -0.22 -1.91 -0.55 0.00 0.77 0.00 0.00 66.41 64.49 2png h THR 80 Cb 1.03 2.44 -0.08 0.00 -1.74 0.00 0.00 68.15 69.80 2png h THR 80 CO -0.14 0.56 -0.56 -1.83 0.37 0.00 0.00 175.52 173.92 2png s GLU 81 N -3.43 2.36 0.07 6.66 -1.05 -1.26 -5.14 118.70 116.90 2png s GLU 81 Ca -0.14 -1.52 0.01 0.00 -0.15 0.00 0.00 54.97 53.18 2png s GLU 81 Cb 0.04 -2.17 -0.00 0.00 -0.44 0.00 0.00 34.13 31.55 2png s GLU 81 CO 0.80 0.16 0.04 1.28 0.95 0.00 0.00 175.26 178.50 2png n LEU 82 N -1.10 0.00 -4.74 1.83 4.77 -1.26 -4.66 117.00 111.83 2png n LEU 82 Ca -0.04 -0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 54.95 2png n LEU 82 Cb 0.61 0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.93 2png n LEU 82 CO 0.43 -0.09 0.84 0.00 -1.33 0.00 0.00 177.39 177.23 2png s ALA 83 N -2.23 3.41 -0.06 -1.18 0.00 -1.26 -5.03 121.76 115.41 2png s ALA 83 Ca 0.06 0.91 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 2png s ALA 83 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2png s ALA 83 CO 0.04 -0.28 0.14 0.00 0.00 0.00 0.00 175.76 175.67 2png s ALA 84 N -0.42 -0.33 -0.28 0.00 0.00 -1.26 -5.03 121.76 114.44 2png s ALA 84 Ca 0.50 0.46 0.27 0.00 0.00 0.00 0.00 51.96 53.19 2png s ALA 84 Cb -0.32 -0.28 1.11 0.00 0.00 0.00 0.00 23.12 23.63 2png s ALA 84 CO 0.38 -0.09 1.81 -1.00 0.00 0.00 0.00 175.76 176.86 2png h PRO 85 N 6.23 0.00 -5.11 0.00 0.13 -2.01 -3.39 132.00 127.85 2png h PRO 85 Ca -0.29 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.17 2png h PRO 85 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2png h PRO 85 CO 0.42 0.00 -0.09 0.15 -0.23 0.00 0.00 178.00 178.25 2png s LYS 86 N -3.43 3.33 -0.14 0.86 1.02 -1.26 -4.93 119.74 115.19 2png s LYS 86 Ca 0.03 -0.47 -0.24 0.00 0.02 0.00 0.00 55.97 55.31 2png s LYS 86 Cb 0.09 -3.90 -0.22 0.00 -0.52 0.00 0.00 37.83 33.28 2png s LYS 86 CO 0.45 -0.80 0.63 0.77 -0.92 0.00 0.00 175.35 175.48 2png h SER 87 N 8.67 0.00 0.00 2.83 0.02 -2.05 -3.45 113.55 119.57 2png h SER 87 Ca -0.27 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 2png h SER 87 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2png h SER 87 CO 0.80 0.93 0.00 0.29 -1.14 0.00 0.00 176.83 177.71 2png n LYS 88 N -4.63 0.00 0.00 3.45 5.02 -1.26 -5.15 118.16 115.58 2png n LYS 88 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2png n LYS 88 Cb 0.41 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 2png n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97