#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2png n ASP 2 N 0.00 2.40 -0.11 1.61 8.00 -1.26 -4.23 116.55 122.96 2png n ASP 2 Ca 0.00 -1.69 -0.05 0.00 0.71 0.00 0.00 54.79 53.76 2png n ASP 2 Cb 0.00 -0.09 0.14 0.00 -0.02 0.00 0.00 41.12 41.15 2png n ASP 2 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2png h GLY 3 N 2.45 0.87 -7.37 0.44 0.00 -2.08 -3.29 103.07 94.09 2png h GLY 3 Ca 0.00 -0.61 -0.70 0.00 0.00 0.00 0.00 47.33 46.03 2png h GLY 3 CO 0.00 0.56 2.32 1.18 0.00 0.00 0.00 176.54 180.60 2png n GLU 4 N -4.19 3.16 -0.15 4.80 -0.58 -1.26 -4.29 120.64 118.12 2png n GLU 4 Ca 0.02 -3.20 0.02 0.00 -0.42 0.00 0.00 57.16 53.59 2png n GLU 4 Cb 0.33 -3.38 0.03 0.00 -0.57 0.00 0.00 31.44 27.85 2png n GLU 4 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2png n ALA 5 N 7.41 1.82 -1.25 0.62 0.00 -1.24 -5.03 120.51 122.83 2png n ALA 5 Ca 0.48 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2png n ALA 5 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.47 -3.52 -1.14 0.00 7.27 -1.26 -4.76 117.38 113.49 2png n GLN 6 Ca 0.04 2.57 -0.30 0.00 0.07 0.00 0.00 57.00 59.38 2png n GLN 6 Cb 0.53 -2.85 0.14 0.00 2.41 0.00 0.00 30.24 30.47 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 -3.24 1.28 0.50 3.69 1.70 -1.26 -4.98 118.95 116.63 2png s ARG 7 Ca 0.00 0.93 -0.07 0.00 -0.47 0.00 0.00 55.73 56.12 2png s ARG 7 Cb 0.00 -1.80 -0.04 0.00 -0.57 0.00 0.00 34.95 32.54 2png s ARG 7 CO 0.00 -2.25 0.83 0.34 -1.08 0.00 0.00 175.30 173.13 2png s ASP 8 N -3.31 6.29 0.05 -2.89 -1.08 -1.26 -4.88 116.67 109.58 2png s ASP 8 Ca 0.64 1.04 0.10 0.00 -0.52 0.00 0.00 52.55 53.80 2png s ASP 8 Cb -0.19 -2.30 -0.21 0.00 -1.46 0.00 0.00 42.92 38.77 2png s ASP 8 CO 0.57 -0.61 1.01 -0.07 0.52 0.00 0.00 175.17 176.59 2png h LEU 9 N 0.24 0.00 -0.04 -1.34 3.38 -1.82 -2.54 115.31 113.18 2png h LEU 9 Ca -0.46 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.25 2png h LEU 9 Cb 1.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 2png h LEU 9 CO 0.62 0.97 -1.07 0.58 0.09 0.00 0.00 178.44 179.63 2png h VAL 10 N 0.00 1.40 0.00 1.22 2.07 -1.86 0.31 116.25 119.39 2png h VAL 10 Ca -0.13 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.80 2png h VAL 10 Cb 1.86 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 34.22 2png h VAL 10 CO 0.10 0.77 0.00 0.29 0.02 0.00 0.00 177.57 178.75 2png n LYS 11 N -3.71 0.68 -0.01 1.57 4.01 -1.23 -1.68 118.16 117.80 2png n LYS 11 Ca -0.09 0.01 -0.03 0.00 -0.51 0.00 0.00 58.31 57.70 2png n LYS 11 Cb 0.91 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.92 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 -1.05 2.00 0.01 7.82 0.00 -0.96 -4.50 120.51 123.83 2png n ALA 12 Ca 0.17 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2png n ALA 12 Cb 0.10 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.30 1.25 -0.06 0.00 2.07 -0.47 -2.79 116.25 115.95 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 0.30 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2png h VAL 13 CO 0.00 0.24 -0.28 0.00 0.02 0.00 0.00 177.57 177.55 2png h ALA 14 N 0.45 1.43 0.00 1.67 0.00 -1.42 -1.73 119.26 119.67 2png h ALA 14 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2png h ALA 14 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2png h ALA 14 CO 0.01 0.41 -0.04 1.25 0.00 0.00 0.00 179.25 180.88 2png h HIS 15 N 0.09 0.00 -0.64 0.00 6.17 -1.29 0.25 115.15 119.73 2png h HIS 15 Ca 0.01 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.02 2png h HIS 15 Cb 0.55 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.45 2png h HIS 15 CO 0.00 0.04 0.12 0.82 0.71 0.00 0.00 177.93 179.62 2png h ILE 16 N 0.00 1.26 -0.00 6.26 1.08 -1.05 -1.97 117.51 123.09 2png h ILE 16 Ca -0.00 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 2png h ILE 16 Cb 0.07 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 2png h ILE 16 CO 0.01 0.38 -0.09 0.18 -0.69 0.00 0.00 178.15 177.93 2png n LEU 17 N -4.26 0.19 0.00 1.44 4.77 -0.28 -4.89 117.00 113.97 2png n LEU 17 Ca 0.04 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2png n LEU 17 Cb 0.28 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2png n LEU 17 CO 0.42 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2png n GLY 18 N 1.38 0.75 4.03 -0.72 0.00 -0.03 -5.04 105.19 105.55 2png n GLY 18 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.61 2.38 0.00 -0.61 -4.36 0.69 -4.89 121.20 111.80 2png s ILE 19 Ca 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 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 0.00 0.00 -1.14 0.24 0.00 0.00 174.94 174.04 2png n ARG 20 N -2.13 0.00 0.40 0.37 0.63 -1.26 -2.90 116.66 111.78 2png n ARG 20 Ca 0.13 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.90 2png n ARG 20 Cb 0.61 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.44 2png n ARG 20 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2png h ASP 21 N 0.00 -0.88 -1.92 6.15 2.03 -1.98 -3.47 116.42 116.35 2png h ASP 21 Ca 0.00 0.03 -0.27 0.00 -0.73 0.00 0.00 57.03 56.06 2png h ASP 21 Cb 0.00 0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 2png h ASP 21 CO 0.00 -0.57 -0.35 0.18 -1.03 0.00 0.00 179.24 177.47 2png n LEU 22 N -5.12 -1.61 0.05 0.15 7.99 -1.26 -4.89 117.00 112.31 2png n LEU 22 Ca -0.13 -0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.00 2png n LEU 22 Cb 0.41 -2.10 0.45 0.00 -0.11 0.00 0.00 43.42 42.07 2png n LEU 22 CO 0.31 -0.16 0.82 0.00 -1.51 0.00 0.00 177.39 176.85 2png n ALA 23 N -1.59 2.49 -2.70 -1.18 0.00 -1.26 -3.83 120.51 112.43 2png n ALA 23 Ca -0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.13 2png n ALA 23 Cb 0.62 -1.41 0.11 0.00 0.00 0.00 0.00 19.45 18.77 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 1.41 1.77 2.98 0.00 0.00 -1.26 -5.10 105.19 104.98 2png n GLY 24 Ca 0.06 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.56 0.13 -0.35 -0.61 -1.09 -1.25 -5.09 121.20 112.39 2png s ILE 25 Ca 0.16 -0.84 -0.27 0.00 -2.23 0.00 0.00 60.65 57.47 2png s ILE 25 Cb 0.42 -0.26 -0.05 0.00 -1.58 0.00 0.00 42.46 40.98 2png s ILE 25 CO -0.10 -0.44 2.23 0.20 -1.23 0.00 0.00 174.94 175.60 2png s ASN 26 N -1.33 5.10 0.00 3.58 -0.87 -1.26 -4.78 114.94 115.38 2png s ASN 26 Ca -0.14 1.44 0.20 0.00 -1.57 0.00 0.00 52.86 52.79 2png s ASN 26 Cb -0.09 -2.51 0.04 0.00 -0.02 0.00 0.00 41.25 38.67 2png s ASN 26 CO -0.01 -2.31 1.03 0.00 -2.57 0.00 0.00 177.10 173.24 2png n LEU 27 N 13.20 2.10 -0.20 0.60 -0.00 -1.26 -4.17 117.00 127.26 2png n LEU 27 Ca 0.31 -0.83 0.03 0.00 -0.00 0.00 0.00 56.01 55.53 2png n LEU 27 Cb 0.49 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.98 2png n LEU 27 CO 0.68 0.38 0.55 -0.90 -0.00 0.00 0.00 177.39 178.11 2png n ASP 28 N 0.28 2.37 -4.58 1.45 5.75 -1.26 -4.27 116.55 116.29 2png n ASP 28 Ca 0.09 -2.24 -0.34 0.00 -0.01 0.00 0.00 54.79 52.29 2png n ASP 28 Cb 0.44 -0.15 -0.11 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.36 5.00 0.57 -1.12 0.01 -1.26 -4.95 113.70 110.60 2png s SER 29 Ca 0.13 -0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.17 2png s SER 29 Cb 0.09 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 2png s SER 29 CO 0.04 0.25 1.25 -0.44 0.41 0.00 0.00 173.24 174.76 2png s SER 30 N -0.12 5.25 0.58 2.44 0.01 -1.26 -4.01 113.70 116.58 2png s SER 30 Ca 0.03 2.50 0.27 0.00 1.31 0.00 0.00 55.95 60.07 2png s SER 30 Cb -0.13 -2.61 1.68 0.00 0.21 0.00 0.00 66.02 65.17 2png s SER 30 CO 0.02 -1.56 2.19 -0.07 0.41 0.00 0.00 173.24 174.23 2png h LEU 31 N 1.12 0.00 -0.79 2.44 3.38 0.00 0.79 115.31 122.26 2png h LEU 31 Ca -0.50 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 2png h LEU 31 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2png h LEU 31 CO 0.56 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.76 2png h ALA 32 N 1.92 0.93 -0.03 1.53 0.00 -1.52 0.22 119.26 122.32 2png h ALA 32 Ca 0.03 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 2png h ALA 32 Cb 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2png h ALA 32 CO -0.00 0.41 -0.91 0.22 0.00 0.00 0.00 179.25 178.97 2png h ASP 33 N 0.00 0.63 0.37 0.00 3.58 -1.11 -3.26 116.42 116.63 2png h ASP 33 Ca -0.00 -0.48 -0.02 0.00 0.42 0.00 0.00 57.03 56.95 2png h ASP 33 Cb 0.94 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2png h ASP 33 CO 0.04 1.27 -0.18 -0.07 -2.88 0.00 0.00 179.24 177.43 2png h LEU 34 N 0.30 -0.42 0.00 2.28 3.38 -1.23 -3.50 115.31 116.13 2png h LEU 34 Ca -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2png h LEU 34 Cb 1.54 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2png h LEU 34 CO 0.16 -0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2png n GLY 35 N -0.15 0.14 3.78 0.83 0.00 0.76 -5.07 105.19 105.49 2png n GLY 35 Ca -0.09 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 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 4.00 0.00 0.99 0.05 -1.17 -5.01 118.68 117.54 2png s LEU 36 Ca 0.00 2.12 0.00 0.00 0.05 0.00 0.00 54.13 56.30 2png s LEU 36 Cb 0.00 -4.32 0.00 0.00 -2.05 0.00 0.00 46.19 39.82 2png s LEU 36 CO 0.00 -0.76 0.00 -0.67 -0.55 0.00 0.00 176.35 174.37 2png n ASP 37 N -0.50 0.00 0.00 1.48 2.03 -1.26 -4.96 116.55 113.33 2png n ASP 37 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 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 -1.20 -1.92 0.00 0.00 177.20 174.08 2png n SER 38 N 0.00 0.00 0.18 1.67 7.64 -1.26 -4.87 113.62 116.98 2png n SER 38 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 2png n SER 38 Cb 0.00 0.22 0.44 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.08 0.00 -3.43 5.85 -1.98 -1.20 115.31 114.64 2png h LEU 39 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2png h LEU 39 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2png h LEU 39 CO 0.00 0.28 0.00 0.23 -0.34 0.00 0.00 178.44 178.61 2png n MET 40 N -4.28 0.51 0.00 1.25 2.81 -1.26 -0.57 117.12 115.58 2png n MET 40 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2png n MET 40 Cb 0.27 -1.10 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 0.01 0.00 0.21 3.03 0.00 -0.55 -4.73 105.19 103.15 2png n GLY 41 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 1.31 -0.04 1.61 2.07 -0.96 -2.62 116.25 117.61 2png h VAL 42 Ca 0.00 -1.46 -0.12 0.00 0.82 0.00 0.00 66.70 65.93 2png h VAL 42 Cb 0.60 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2png h VAL 42 CO 0.00 0.47 -0.54 -0.08 0.02 0.00 0.00 177.57 177.43 2png h GLU 43 N 0.41 0.12 -0.27 1.57 4.81 -1.09 -2.07 114.58 118.06 2png h GLU 43 Ca 0.04 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2png h GLU 43 Cb 0.86 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 2png h GLU 43 CO 0.07 0.63 0.08 0.28 -0.73 0.00 0.00 179.01 179.35 2png h VAL 44 N 0.10 0.92 -0.20 0.32 2.07 -1.66 -0.19 116.25 117.61 2png h VAL 44 Ca -0.00 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2png h VAL 44 Cb 0.99 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2png h VAL 44 CO 0.08 0.04 -0.02 0.03 0.02 0.00 0.00 177.57 177.71 2png h ARG 45 N 0.20 0.03 0.00 1.57 3.08 -1.16 -1.05 114.38 117.06 2png h ARG 45 Ca 0.12 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2png h ARG 45 Cb 0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2png h ARG 45 CO -0.13 0.02 -0.00 1.96 -1.07 0.00 0.00 179.97 180.75 2png h GLN 46 N 0.03 0.00 0.00 0.04 4.20 -0.62 0.87 115.11 119.64 2png h GLN 46 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2png h GLN 46 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2png h GLN 46 CO -0.18 0.00 -0.06 0.82 -0.67 0.00 0.00 178.83 178.75 2png h ILE 47 N 0.00 0.00 -0.41 2.54 2.04 -0.15 -3.27 117.51 118.27 2png h ILE 47 Ca -0.00 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2png h ILE 47 Cb 0.18 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 2png h ILE 47 CO 0.00 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.28 2png h LEU 48 N -0.42 0.53 -0.33 1.44 -0.00 -1.09 0.44 115.31 115.88 2png h LEU 48 Ca 0.00 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.68 2png h LEU 48 Cb 0.06 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 2png h LEU 48 CO 0.00 0.50 -0.10 -0.08 -0.00 0.00 0.00 178.44 178.76 2png h GLU 49 N 0.52 0.65 0.06 1.13 4.22 -0.03 -0.71 114.58 120.43 2png h GLU 49 Ca 0.14 -0.26 -0.29 0.00 0.08 0.00 0.00 59.36 59.03 2png h GLU 49 Cb 0.11 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2png h GLU 49 CO -0.02 0.84 -1.54 0.00 -2.18 0.00 0.00 179.01 176.11 2png h ARG 50 N 0.43 0.13 0.10 1.92 3.08 -1.58 -2.55 114.38 115.91 2png h ARG 50 Ca 0.08 -0.22 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 2png h ARG 50 Cb 0.61 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.75 2png h ARG 50 CO 0.04 0.91 -0.68 0.93 -1.07 0.00 0.00 179.97 180.09 2png h GLU 51 N 0.03 0.20 0.00 0.04 4.39 -0.98 -3.41 114.58 114.86 2png h GLU 51 Ca -0.23 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.12 2png h GLU 51 Cb 1.97 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 2png h GLU 51 CO 0.12 1.17 -0.04 0.72 -1.16 0.00 0.00 179.01 179.82 2png n HIS 52 N -4.24 0.00 -1.05 4.33 8.25 -0.69 -5.01 115.22 116.81 2png n HIS 52 Ca -0.15 -0.32 -0.02 0.00 -0.26 0.00 0.00 57.72 56.97 2png n HIS 52 Cb 0.73 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.36 -4.05 -4.49 0.41 8.00 -0.68 -4.97 116.55 110.40 2png n ASP 53 Ca 0.01 0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 2png n ASP 53 Cb 0.41 -1.70 -0.03 0.00 -0.02 0.00 0.00 41.12 39.78 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 -0.39 4.19 -1.17 0.64 1.02 -0.36 -4.82 118.68 117.79 2png s LEU 54 Ca 0.00 -1.32 -0.19 0.00 0.02 0.00 0.00 54.13 52.64 2png s LEU 54 Cb 0.00 -2.47 0.09 0.00 0.02 0.00 0.00 46.19 43.83 2png s LEU 54 CO 0.00 -1.41 1.55 -0.69 0.02 0.00 0.00 176.35 175.82 2png s VAL 55 N 4.12 4.28 -0.41 -1.59 1.01 -1.26 -1.81 120.40 124.74 2png s VAL 55 Ca 0.33 -1.70 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 2png s VAL 55 Cb -0.08 -5.07 0.02 0.00 0.00 0.00 0.00 36.38 31.24 2png s VAL 55 CO 0.00 -1.89 0.65 -0.76 0.00 0.00 0.00 175.10 173.11 2png s LEU 56 N 3.83 4.38 0.77 3.92 1.43 -1.26 -5.03 118.68 126.72 2png s LEU 56 Ca 0.48 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.35 2png s LEU 56 Cb 0.01 -2.77 0.07 0.00 0.03 0.00 0.00 46.19 43.53 2png s LEU 56 CO 0.00 -0.71 1.12 -2.84 0.23 0.00 0.00 176.35 174.15 2png s PRO 57 N 2.81 2.14 0.39 1.29 0.02 -1.26 -4.53 135.00 135.85 2png s PRO 57 Ca 0.24 0.05 0.07 0.00 0.02 0.00 0.00 61.00 61.38 2png s PRO 57 Cb -0.14 -2.02 0.81 0.00 0.02 0.00 0.00 34.50 33.17 2png s PRO 57 CO 0.18 -1.43 2.00 0.82 -0.33 0.00 0.00 177.00 178.23 2png h ILE 58 N -0.88 1.04 0.00 2.83 5.03 -1.97 0.10 117.51 123.66 2png h ILE 58 Ca -0.45 -0.22 0.00 0.00 -0.12 0.00 0.00 64.86 64.06 2png h ILE 58 Cb 1.32 0.33 0.00 0.00 -3.03 0.00 0.00 36.82 35.44 2png h ILE 58 CO 0.64 0.12 0.00 -2.11 -0.68 0.00 0.00 178.15 176.12 2png n ARG 59 N -4.47 0.04 -0.10 2.37 0.00 -1.26 -0.04 116.66 113.20 2png n ARG 59 Ca 0.08 0.25 -0.12 0.00 -0.00 0.00 0.00 57.85 58.05 2png n ARG 59 Cb 0.18 -1.50 -0.12 0.00 -0.00 0.00 0.00 32.46 31.03 2png n ARG 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2png n GLU 60 N -1.46 0.81 -0.04 2.89 -0.58 0.22 -4.55 120.64 117.94 2png n GLU 60 Ca 0.04 0.07 -0.10 0.00 -0.42 0.00 0.00 57.16 56.75 2png n GLU 60 Cb 0.15 -1.44 0.05 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.29 0.00 2.62 2.07 -0.56 -3.23 116.25 118.44 2png h VAL 61 Ca -0.48 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.41 2png h VAL 61 Cb 1.89 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2png h VAL 61 CO -0.03 0.52 0.00 0.03 0.02 0.00 0.00 177.57 178.11 2png h ARG 62 N 0.56 0.00 -0.03 1.57 3.08 -0.69 -0.75 114.38 118.11 2png h ARG 62 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2png h ARG 62 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2png h ARG 62 CO 0.09 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.98 2png n GLN 63 N -2.74 2.14 -2.37 0.04 0.00 -1.22 -1.40 117.38 111.82 2png n GLN 63 Ca -0.02 -1.66 -0.41 0.00 0.00 0.00 0.00 57.00 54.91 2png n GLN 63 Cb 0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.85 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 -2.01 4.44 -0.29 2.61 1.43 -0.29 -4.65 118.68 119.92 2png s LEU 64 Ca 0.30 2.21 0.01 0.00 -1.03 0.00 0.00 54.13 55.63 2png s LEU 64 Cb 0.20 -3.60 0.35 0.00 0.03 0.00 0.00 46.19 43.17 2png s LEU 64 CO 0.31 -0.39 1.66 0.35 0.23 0.00 0.00 176.35 178.51 2png n THR 65 N 2.71 2.44 0.00 5.49 -2.24 -1.26 -0.50 114.28 120.92 2png n THR 65 Ca 0.05 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 2png n THR 65 Cb 0.45 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 -0.29 0.00 -0.04 3.22 -0.00 -1.26 -4.06 117.00 114.57 2png n LEU 66 Ca 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.32 2png n LEU 66 Cb 1.01 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 44.64 2png n LEU 66 CO 0.38 0.00 0.84 0.03 -0.00 0.00 0.00 177.39 178.64 2png h ARG 67 N 0.00 0.63 0.00 1.96 2.47 -1.88 -2.62 114.38 114.94 2png h ARG 67 Ca 0.00 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 2png h ARG 67 Cb 0.00 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2png h ARG 67 CO 0.00 0.71 0.00 -0.22 0.56 0.00 0.00 179.97 181.02 2png h LYS 68 N 0.58 0.00 -0.88 0.04 3.64 -1.85 -2.39 116.57 115.71 2png h LYS 68 Ca 0.11 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 2png h LYS 68 Cb 0.49 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 2png h LYS 68 CO 0.03 0.00 0.57 -0.07 -2.27 0.00 0.00 179.45 177.71 2png h LEU 69 N 0.00 0.75 -0.39 5.20 -0.00 -1.81 -1.88 115.31 117.18 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 0.23 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2png h LEU 69 CO 0.00 0.42 -0.10 0.00 -0.00 0.00 0.00 178.44 178.77 2png n GLN 70 N -4.54 0.94 -0.00 1.13 10.64 -0.90 -1.65 117.38 123.00 2png n GLN 70 Ca 0.16 -0.39 0.10 0.00 -1.83 0.00 0.00 57.00 55.04 2png n GLN 70 Cb 0.35 -1.49 -0.11 0.00 -0.86 0.00 0.00 30.24 28.13 2png n GLN 70 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2png n GLU 71 N -0.69 0.00 -0.12 2.61 0.28 -0.74 -4.00 120.64 117.99 2png n GLU 71 Ca 0.16 -0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.26 2png n GLU 71 Cb 0.28 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.80 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2png n MET 72 N -1.50 1.39 -0.00 3.44 2.81 -1.03 -4.72 117.12 117.50 2png n MET 72 Ca 0.04 -2.63 0.15 0.00 -1.81 0.00 0.00 57.70 53.45 2png n MET 72 Cb 0.33 -1.53 0.75 0.00 -0.71 0.00 0.00 33.22 32.07 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 -1.37 0.64 -2.78 7.83 3.41 -0.66 -4.96 113.62 115.72 2png n SER 73 Ca 0.17 -1.23 -0.03 0.00 -0.26 0.00 0.00 58.87 57.52 2png n SER 73 Cb 0.66 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2png n SER 73 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2png n SER 74 N -0.49 -7.97 -3.78 4.04 7.64 -1.26 -4.62 113.62 107.18 2png n SER 74 Ca 0.21 1.13 -0.30 0.00 1.01 0.00 0.00 58.87 60.92 2png n SER 74 Cb 0.21 -5.24 -0.15 0.00 -1.01 0.00 0.00 64.21 58.02 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 -1.93 0.83 -0.37 1.43 -0.14 -1.26 -4.81 119.74 113.49 2png s LYS 75 Ca 0.08 -1.17 -0.23 0.00 -1.36 0.00 0.00 55.97 53.29 2png s LYS 75 Cb -0.02 -2.17 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 2png s LYS 75 CO 0.76 -0.97 0.77 0.00 -0.76 0.00 0.00 175.35 175.16 2png s ALA 76 N 1.52 3.42 0.61 5.17 0.00 -1.26 -5.04 121.76 126.18 2png s ALA 76 Ca 0.10 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 2png s ALA 76 Cb -0.17 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2png s ALA 76 CO -0.22 -1.52 0.02 0.41 0.00 0.00 0.00 175.76 174.45 2png n GLY 77 N 4.59 0.08 0.18 0.00 0.00 -1.26 -4.97 105.19 103.81 2png n GLY 77 Ca 0.03 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.26 2png n GLY 77 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2png h SER 78 N -0.02 0.00 -2.83 1.61 0.87 -2.04 -3.44 113.55 107.71 2png h SER 78 Ca -0.01 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2png h SER 78 Cb 0.02 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.02 2png h SER 78 CO 0.01 0.30 0.88 1.51 -0.53 0.00 0.00 176.83 178.99 2png s ASP 79 N -6.32 6.60 0.10 6.23 -4.77 -1.26 -4.87 116.67 112.38 2png s ASP 79 Ca 0.04 2.59 -0.13 0.00 -3.30 0.00 0.00 52.55 51.75 2png s ASP 79 Cb 0.07 -2.59 0.02 0.00 -1.09 0.00 0.00 42.92 39.33 2png s ASP 79 CO 0.70 -0.82 0.32 -0.89 0.70 0.00 0.00 175.17 175.18 2png s THR 80 N 1.22 0.10 0.11 2.11 2.01 -1.26 -5.04 115.64 114.88 2png s THR 80 Ca 0.70 -0.78 -0.24 0.00 0.31 0.00 0.00 61.69 61.68 2png s THR 80 Cb -0.43 -1.19 -0.08 0.00 0.01 0.00 0.00 72.50 70.80 2png s THR 80 CO 0.31 -0.43 1.68 -0.33 -0.69 0.00 0.00 174.62 175.16 2png h GLU 81 N 2.60 -0.21 -4.47 4.92 5.08 -2.01 -3.15 114.58 117.34 2png h GLU 81 Ca -0.34 0.01 -0.75 0.00 -1.00 0.00 0.00 59.36 57.29 2png h GLU 81 Cb 1.23 0.05 -0.20 0.00 0.50 0.00 0.00 28.75 30.33 2png h GLU 81 CO 0.50 -0.14 1.13 -0.48 -1.00 0.00 0.00 179.01 179.02 2png s LEU 82 N -10.30 5.36 0.00 1.33 0.05 -1.26 -4.60 118.68 109.27 2png s LEU 82 Ca -0.14 -3.14 0.00 0.00 0.05 0.00 0.00 54.13 50.90 2png s LEU 82 Cb 0.08 -2.35 0.00 0.00 -2.05 0.00 0.00 46.19 41.87 2png s LEU 82 CO 0.66 -0.64 0.65 0.00 -0.55 0.00 0.00 176.35 176.48 2png n ALA 83 N 4.94 2.31 -2.91 1.48 0.00 -1.19 -4.97 120.51 120.17 2png n ALA 83 Ca 0.34 -0.65 -0.38 0.00 0.00 0.00 0.00 53.44 52.75 2png n ALA 83 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.31 3.26 -0.67 0.00 0.00 -1.26 -4.98 121.76 117.81 2png s ALA 84 Ca 0.00 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.42 2png s ALA 84 Cb 0.00 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.84 2png s ALA 84 CO 0.00 -0.73 1.53 -2.14 0.00 0.00 0.00 175.76 174.42 2png s PRO 85 N 1.63 2.98 0.00 0.00 0.02 -1.26 -4.51 135.00 133.85 2png s PRO 85 Ca 0.05 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.26 2png s PRO 85 Cb -0.16 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.10 2png s PRO 85 CO 0.06 -2.35 0.00 1.17 -0.33 0.00 0.00 177.00 175.54 2png n LYS 86 N 9.21 0.00 -1.92 5.54 4.81 -1.26 -5.03 118.16 129.51 2png n LYS 86 Ca 0.11 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.15 2png n LYS 86 Cb 0.50 -0.08 -0.03 0.00 0.02 0.00 0.00 35.03 35.44 2png n LYS 86 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2png s SER 87 N -4.82 5.43 0.19 3.14 0.01 -1.26 -4.57 113.70 111.82 2png s SER 87 Ca 0.00 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2png s SER 87 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2png s SER 87 CO 0.00 -2.13 0.00 1.17 0.41 0.00 0.00 173.24 172.69 2png n LYS 88 N 8.80 0.00 0.00 12.44 4.81 -1.26 -5.22 118.16 137.73 2png n LYS 88 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2png n LYS 88 Cb 0.50 -0.20 0.00 0.00 0.02 0.00 0.00 35.03 35.35 2png n LYS 88 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84