#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 1.96 -3.18 1.61 2.03 -1.26 -4.65 116.55 113.05 2png n ASP 2 Ca 0.00 0.07 -0.36 0.00 0.52 0.00 0.00 54.79 55.02 2png n ASP 2 Cb 0.00 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 2png n ASP 2 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2png n GLY 3 N 2.25 4.58 3.61 0.27 0.00 -1.26 -4.90 105.19 109.74 2png n GLY 3 Ca -0.33 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 0.19 3.95 0.04 1.61 0.41 -1.26 -4.82 118.70 118.81 2png s GLU 4 Ca 0.62 0.67 0.00 0.00 -0.41 0.00 0.00 54.97 55.84 2png s GLU 4 Cb 0.22 -3.75 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 2png s GLU 4 CO -0.09 -0.77 0.00 0.00 -0.49 0.00 0.00 175.26 173.91 2png n ALA 5 N 6.43 3.00 -2.64 5.21 0.00 -1.26 -4.99 120.51 126.26 2png n ALA 5 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2png n ALA 5 Cb 0.48 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.29 2png n ALA 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2png s GLN 6 N -2.00 4.15 -0.04 0.00 0.74 -1.26 -4.97 119.66 116.27 2png s GLN 6 Ca 0.00 1.06 -0.13 0.00 0.05 0.00 0.00 55.36 56.34 2png s GLN 6 Cb 0.00 -3.68 -0.05 0.00 1.10 0.00 0.00 33.01 30.38 2png s GLN 6 CO 0.00 -0.67 0.35 0.50 -0.55 0.00 0.00 175.29 174.92 2png s ARG 7 N 3.18 3.89 0.31 1.67 3.52 -1.26 -5.05 118.95 125.21 2png s ARG 7 Ca 0.40 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.99 2png s ARG 7 Cb -0.14 -3.25 -0.11 0.00 -1.56 0.00 0.00 34.95 29.89 2png s ARG 7 CO 0.10 0.63 1.47 0.34 -0.81 0.00 0.00 175.30 177.03 2png s ASP 8 N -0.83 6.52 0.48 -2.12 -1.08 -1.26 -4.87 116.67 113.52 2png s ASP 8 Ca 0.22 2.85 0.22 0.00 -0.52 0.00 0.00 52.55 55.32 2png s ASP 8 Cb -0.15 -2.64 1.22 0.00 -1.46 0.00 0.00 42.92 39.89 2png s ASP 8 CO 0.11 -0.77 2.01 -0.07 0.52 0.00 0.00 175.17 176.96 2png h LEU 9 N 4.10 0.00 0.02 -1.34 3.38 -1.87 0.21 115.31 119.81 2png h LEU 9 Ca -0.48 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.21 2png h LEU 9 Cb 1.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2png h LEU 9 CO 0.72 0.17 -1.58 0.58 0.09 0.00 0.00 178.44 178.42 2png h VAL 10 N 0.00 1.01 0.00 1.22 2.07 -1.89 0.17 116.25 118.83 2png h VAL 10 Ca -0.00 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.70 2png h VAL 10 Cb 0.40 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2png h VAL 10 CO 0.02 0.63 0.00 0.29 0.02 0.00 0.00 177.57 178.53 2png n LYS 11 N -3.16 0.05 0.00 1.57 4.01 -0.79 -2.57 118.16 117.28 2png n LYS 11 Ca -0.15 0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 2png n LYS 11 Cb 1.03 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 34.05 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 -1.46 0.28 -0.04 7.82 0.00 0.68 -4.31 120.51 123.47 2png n ALA 12 Ca 0.06 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 2png n ALA 12 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 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 1.06 -0.08 0.00 2.07 -0.81 0.37 116.25 118.86 2png h VAL 13 Ca 0.00 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 2png h VAL 13 Cb 0.00 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2png h VAL 13 CO 0.00 0.06 -0.27 0.00 0.02 0.00 0.00 177.57 177.37 2png h ALA 14 N 1.04 1.39 0.00 1.67 0.00 -1.58 -1.97 119.26 119.81 2png h ALA 14 Ca 0.06 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2png h ALA 14 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2png h ALA 14 CO -0.01 0.44 -0.48 1.25 0.00 0.00 0.00 179.25 180.44 2png h HIS 15 N 0.14 0.00 -0.20 0.00 6.17 -1.11 0.55 115.15 120.69 2png h HIS 15 Ca 0.02 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.03 2png h HIS 15 Cb 0.56 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 2png h HIS 15 CO 0.01 0.48 -0.18 0.82 0.71 0.00 0.00 177.93 179.76 2png h ILE 16 N 0.00 1.22 0.15 6.26 1.08 -0.21 -2.78 117.51 123.23 2png h ILE 16 Ca -0.00 -1.02 -0.31 0.00 -0.39 0.00 0.00 64.86 63.13 2png h ILE 16 Cb 1.04 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 2png h ILE 16 CO 0.06 0.32 -1.51 -0.07 -0.69 0.00 0.00 178.15 176.26 2png h LEU 17 N 0.31 0.51 0.00 1.44 3.38 -1.07 -3.48 115.31 116.39 2png h LEU 17 Ca 0.06 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2png h LEU 17 Cb 0.51 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2png h LEU 17 CO 0.03 1.53 0.00 0.61 0.09 0.00 0.00 178.44 180.70 2png n GLY 18 N 1.69 1.57 3.35 0.83 0.00 0.12 -5.11 105.19 107.64 2png n GLY 18 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 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 0.43 0.00 -0.61 -4.36 0.15 -4.96 121.20 109.85 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 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.18 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 -0.59 0.00 -0.06 0.37 0.63 -1.26 -2.96 116.66 112.79 2png n ARG 20 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 2png n ARG 20 Cb 0.65 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.52 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 0.27 -2.41 6.15 2.03 -1.97 -3.47 116.42 117.02 2png h ASP 21 Ca 0.00 -0.12 -0.41 0.00 -0.73 0.00 0.00 57.03 55.78 2png h ASP 21 Cb 0.00 -0.07 -0.06 0.00 -0.83 0.00 0.00 39.33 38.37 2png h ASP 21 CO 0.00 0.31 -0.49 0.18 -1.03 0.00 0.00 179.24 178.21 2png n LEU 22 N -4.86 -1.81 0.10 0.15 7.99 -1.26 -4.86 117.00 112.45 2png n LEU 22 Ca -0.03 0.11 0.12 0.00 -0.01 0.00 0.00 56.01 56.20 2png n LEU 22 Cb 0.09 -2.86 0.45 0.00 -0.11 0.00 0.00 43.42 41.00 2png n LEU 22 CO 0.35 -0.43 0.87 0.00 -1.51 0.00 0.00 177.39 176.66 2png n ALA 23 N -1.12 1.95 -1.56 -1.18 0.00 -1.26 -3.56 120.51 113.77 2png n ALA 23 Ca -0.23 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2png n ALA 23 Cb 0.68 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.62 -0.80 3.84 0.00 0.00 -1.26 -5.10 105.19 102.49 2png n GLY 24 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 5.33 0.14 -0.61 1.09 -1.23 -5.02 121.20 120.90 2png s ILE 25 Ca 0.00 0.45 -0.32 0.00 -1.10 0.00 0.00 60.65 59.68 2png s ILE 25 Cb 0.00 -3.53 -0.12 0.00 -1.06 0.00 0.00 42.46 37.76 2png s ILE 25 CO 0.00 0.58 1.78 0.59 -0.10 0.00 0.00 174.94 177.78 2png n ASN 26 N 2.15 3.86 -1.12 3.58 4.13 -1.26 -4.87 115.26 121.73 2png n ASN 26 Ca -0.17 1.02 0.11 0.00 1.68 0.00 0.00 54.58 57.22 2png n ASN 26 Cb 0.54 -1.53 0.23 0.00 -1.54 0.00 0.00 39.78 37.48 2png n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2png n LEU 27 N 4.95 3.46 -1.06 3.41 4.77 -1.26 -4.08 117.00 127.20 2png n LEU 27 Ca 0.18 -1.65 0.09 0.00 -0.03 0.00 0.00 56.01 54.59 2png n LEU 27 Cb 0.35 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 41.40 2png n LEU 27 CO 0.66 0.79 0.72 -0.90 -1.33 0.00 0.00 177.39 177.32 2png n ASP 28 N 1.39 3.67 -4.80 -1.43 5.68 -1.26 -4.82 116.55 114.98 2png n ASP 28 Ca 0.19 -2.16 -0.36 0.00 -0.50 0.00 0.00 54.79 51.96 2png n ASP 28 Cb 0.58 -0.40 -0.07 0.00 -1.14 0.00 0.00 41.12 40.09 2png n ASP 28 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2png s SER 29 N -1.06 6.42 0.63 -1.12 0.01 -1.26 -5.08 113.70 112.25 2png s SER 29 Ca 0.38 0.49 -0.11 0.00 1.31 0.00 0.00 55.95 58.02 2png s SER 29 Cb 0.22 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 2png s SER 29 CO 0.23 0.26 1.04 -0.44 0.41 0.00 0.00 173.24 174.73 2png s SER 30 N -0.32 6.06 0.49 2.44 0.01 -1.26 -4.27 113.70 116.86 2png s SER 30 Ca 0.15 1.47 0.24 0.00 1.31 0.00 0.00 55.95 59.11 2png s SER 30 Cb -0.13 -2.48 1.29 0.00 0.21 0.00 0.00 66.02 64.92 2png s SER 30 CO 0.04 -0.98 2.03 0.25 0.41 0.00 0.00 173.24 174.99 2png h LEU 31 N -0.37 0.00 -0.96 2.44 5.85 -0.98 -0.02 115.31 121.28 2png h LEU 31 Ca -0.44 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 2png h LEU 31 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2png h LEU 31 CO 0.61 0.15 -0.36 0.00 -0.34 0.00 0.00 178.44 178.50 2png h ALA 32 N 1.85 1.12 0.00 1.25 0.00 -1.67 -2.27 119.26 119.53 2png h ALA 32 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2png h ALA 32 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2png h ALA 32 CO 0.02 0.57 -0.42 -0.44 0.00 0.00 0.00 179.25 178.98 2png h ASP 33 N 0.26 0.00 0.64 0.00 3.32 -1.29 -2.22 116.42 117.13 2png h ASP 33 Ca 0.03 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 2png h ASP 33 Cb 0.76 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2png h ASP 33 CO 0.06 0.42 -0.58 -0.07 -1.72 0.00 0.00 179.24 177.35 2png h LEU 34 N 0.00 0.00 0.00 1.55 3.38 -1.14 -3.47 115.31 115.64 2png h LEU 34 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2png h LEU 34 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2png h LEU 34 CO 0.05 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.77 2png n GLY 35 N 0.22 1.37 3.59 0.83 0.00 -0.84 -5.08 105.19 105.28 2png n GLY 35 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.89 -4.42 118.68 120.79 2png s LEU 36 Ca 0.00 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 2png s LEU 36 Cb 0.00 -3.36 0.00 0.00 0.50 0.00 0.00 46.19 43.33 2png s LEU 36 CO 0.00 -1.88 0.00 -0.67 -1.32 0.00 0.00 176.35 172.48 2png n ASP 37 N 11.08 0.00 0.00 3.68 2.03 -1.26 -4.77 116.55 127.31 2png n ASP 37 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2png n ASP 37 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 -1.38 0.00 0.13 1.67 7.64 -1.26 -4.86 113.62 115.56 2png n SER 38 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2png n SER 38 Cb 0.00 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.18 0.00 -3.43 5.85 -1.98 -1.66 115.31 114.26 2png h LEU 39 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 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 0.49 0.00 0.23 -0.34 0.00 0.00 178.44 178.82 2png n MET 40 N -4.12 0.56 0.00 1.25 2.81 -1.26 -1.26 117.12 115.10 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 0.39 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 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 0.11 0.00 0.16 3.03 0.00 -0.90 -4.64 105.19 102.95 2png n GLY 41 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 1.30 -0.42 1.61 2.07 -0.95 -0.60 116.25 119.27 2png h VAL 42 Ca 0.00 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 2png h VAL 42 Cb 0.70 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2png h VAL 42 CO 0.00 0.36 -0.09 -0.08 0.02 0.00 0.00 177.57 177.78 2png h GLU 43 N 0.19 0.73 0.00 1.57 4.81 -1.45 -1.08 114.58 119.35 2png h GLU 43 Ca 0.05 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2png h GLU 43 Cb 0.60 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 2png h GLU 43 CO 0.03 0.81 -0.01 0.28 -0.73 0.00 0.00 179.01 179.39 2png h VAL 44 N 0.67 0.96 -0.83 0.32 2.07 -1.71 -1.77 116.25 115.96 2png h VAL 44 Ca 0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.65 2png h VAL 44 Cb 0.55 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2png h VAL 44 CO 0.03 0.00 0.55 0.03 0.02 0.00 0.00 177.57 178.21 2png h ARG 45 N -0.02 1.10 0.00 1.57 3.08 -0.75 0.41 114.38 119.76 2png h ARG 45 Ca 0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2png h ARG 45 Cb 0.03 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2png h ARG 45 CO -0.01 0.72 0.00 1.04 -1.07 0.00 0.00 179.97 180.65 2png n GLN 46 N -4.41 0.01 -0.08 0.04 6.02 -0.44 -0.98 117.38 117.54 2png n GLN 46 Ca 0.09 0.11 -0.07 0.00 -0.01 0.00 0.00 57.00 57.13 2png n GLN 46 Cb 0.03 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 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 -1.53 1.44 -0.13 5.09 5.41 -0.56 -4.06 119.36 125.02 2png n ILE 47 Ca 0.05 0.18 -0.12 0.00 1.00 0.00 0.00 62.75 63.87 2png n ILE 47 Cb 0.27 -2.36 -0.02 0.00 -0.71 0.00 0.00 39.64 36.82 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 0.83 -0.27 1.39 -0.00 -0.98 0.08 115.31 115.37 2png h LEU 48 Ca -0.02 -0.41 -0.18 0.00 -0.00 0.00 0.00 57.88 57.26 2png h LEU 48 Cb 0.66 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 2png h LEU 48 CO -0.01 1.06 -0.53 -0.08 -0.00 0.00 0.00 178.44 178.88 2png h GLU 49 N 0.60 0.83 -0.20 1.13 4.81 -0.94 0.93 114.58 121.75 2png h GLU 49 Ca 0.08 -0.54 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 2png h GLU 49 Cb 0.76 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 2png h GLU 49 CO 0.06 1.17 -0.20 -0.09 -0.73 0.00 0.00 179.01 179.22 2png h ARG 50 N 0.60 0.48 0.03 1.92 2.43 -1.62 -1.03 114.38 117.18 2png h ARG 50 Ca 0.01 -0.25 -0.31 0.00 -0.81 0.00 0.00 59.98 58.62 2png h ARG 50 Cb 1.14 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 2png h ARG 50 CO 0.12 0.83 -1.75 0.93 -1.51 0.00 0.00 179.97 178.58 2png h GLU 51 N 0.16 0.06 0.00 0.20 4.39 -1.03 -3.41 114.58 114.95 2png h GLU 51 Ca 0.03 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2png h GLU 51 Cb 0.74 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2png h GLU 51 CO 0.05 0.66 0.00 1.58 -1.16 0.00 0.00 179.01 180.14 2png n HIS 52 N -3.15 0.00 -1.56 4.33 -0.00 0.19 -4.96 115.22 110.07 2png n HIS 52 Ca -0.20 -0.01 -0.19 0.00 0.46 0.00 0.00 57.72 57.78 2png n HIS 52 Cb 1.05 -0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.84 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 -0.01 -5.46 -4.43 0.26 2.03 -0.39 -4.89 116.55 103.66 2png n ASP 53 Ca 0.00 0.47 -0.44 0.00 0.52 0.00 0.00 54.79 55.34 2png n ASP 53 Cb 0.09 -4.65 -0.03 0.00 -0.72 0.00 0.00 41.12 35.81 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 -4.37 5.11 -0.54 -2.67 2.96 -0.43 -4.83 118.68 113.91 2png s LEU 54 Ca 0.00 -1.82 -0.27 0.00 -0.22 0.00 0.00 54.13 51.82 2png s LEU 54 Cb 0.00 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.35 2png s LEU 54 CO 0.00 -1.10 1.08 -0.69 -1.32 0.00 0.00 176.35 174.32 2png s VAL 55 N 2.74 4.21 -0.39 1.68 1.01 -1.26 -2.93 120.40 125.46 2png s VAL 55 Ca 0.27 0.74 -0.08 0.00 0.00 0.00 0.00 61.98 62.91 2png s VAL 55 Cb -0.10 -4.62 0.06 0.00 0.00 0.00 0.00 36.38 31.73 2png s VAL 55 CO -0.04 -1.17 0.20 -0.76 0.00 0.00 0.00 175.10 173.33 2png s LEU 56 N 4.44 4.85 0.54 3.92 1.43 -1.26 -5.08 118.68 127.52 2png s LEU 56 Ca 0.39 -1.39 -0.21 0.00 -1.03 0.00 0.00 54.13 51.89 2png s LEU 56 Cb -0.09 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2png s LEU 56 CO 0.25 -0.46 1.23 -2.84 0.23 0.00 0.00 176.35 174.76 2png s PRO 57 N 1.40 3.25 0.55 1.29 0.02 -1.26 -4.72 135.00 135.53 2png s PRO 57 Ca 0.02 1.92 0.30 0.00 0.02 0.00 0.00 61.00 63.25 2png s PRO 57 Cb -0.22 -2.15 1.59 0.00 0.02 0.00 0.00 34.50 33.74 2png s PRO 57 CO 0.02 -1.01 2.12 0.82 -0.33 0.00 0.00 177.00 178.62 2png h ILE 58 N 1.32 0.48 0.00 2.83 5.03 -1.96 0.35 117.51 125.56 2png h ILE 58 Ca -0.50 -0.40 0.00 0.00 -0.12 0.00 0.00 64.86 63.83 2png h ILE 58 Cb 1.28 1.27 0.00 0.00 -3.03 0.00 0.00 36.82 36.34 2png h ILE 58 CO 0.57 0.08 0.00 0.03 -0.68 0.00 0.00 178.15 178.15 2png h ARG 59 N 0.00 0.00 0.00 2.37 -0.00 -2.01 0.41 114.38 115.15 2png h ARG 59 Ca -0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.12 2png h ARG 59 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.18 2png h ARG 59 CO 0.01 0.00 -2.26 0.39 0.00 0.00 0.00 179.97 178.11 2png n GLU 60 N -3.06 0.52 0.13 0.04 -0.58 0.67 -4.57 120.64 113.79 2png n GLU 60 Ca -0.01 0.17 0.06 0.00 -0.42 0.00 0.00 57.16 56.96 2png n GLU 60 Cb 0.20 -1.38 0.54 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.39 1.05 0.00 2.62 2.07 -0.24 -2.48 116.25 118.88 2png h VAL 61 Ca -0.53 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2png h VAL 61 Cb 1.64 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2png h VAL 61 CO -0.21 0.05 0.01 0.03 0.02 0.00 0.00 177.57 177.47 2png h ARG 62 N 0.27 0.00 -0.30 1.57 3.08 -1.16 -0.47 114.38 117.37 2png h ARG 62 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2png h ARG 62 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2png h ARG 62 CO -0.02 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.92 2png n GLN 63 N -2.83 2.40 -2.37 0.04 3.00 -0.93 -1.20 117.38 115.48 2png n GLN 63 Ca -0.03 -2.16 -0.42 0.00 -0.01 0.00 0.00 57.00 54.38 2png n GLN 63 Cb 0.07 -1.48 -0.02 0.00 0.00 0.00 0.00 30.24 28.80 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 -1.55 3.48 -1.52 1.08 1.43 -0.19 -4.72 118.68 116.69 2png s LEU 64 Ca 0.35 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 2png s LEU 64 Cb 0.21 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 2png s LEU 64 CO 0.30 -1.61 2.52 0.35 0.23 0.00 0.00 176.35 178.14 2png n THR 65 N 6.96 3.78 0.00 5.49 -2.24 -1.26 -2.79 114.28 124.23 2png n THR 65 Ca 0.14 -2.83 0.00 0.00 -2.27 0.00 0.00 64.05 59.09 2png n THR 65 Cb 0.49 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.11 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 5.12 0.00 0.19 3.22 -0.00 -1.26 -3.45 117.00 120.83 2png n LEU 66 Ca 0.62 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.73 2png n LEU 66 Cb 0.33 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.87 2png n LEU 66 CO 0.88 0.00 0.66 0.03 -0.00 0.00 0.00 177.39 178.97 2png h ARG 67 N 0.00 0.00 0.00 1.96 2.47 -1.92 -2.79 114.38 114.10 2png h ARG 67 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 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 0.10 0.00 -0.22 0.56 0.00 0.00 179.97 180.41 2png h LYS 68 N 0.00 0.00 -0.03 0.04 3.64 -1.85 -2.03 116.57 116.34 2png h LYS 68 Ca -0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2png h LYS 68 Cb 1.09 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 2png h LYS 68 CO 0.01 0.00 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.00 2png h LEU 69 N 0.00 -0.37 -0.40 5.20 -0.00 -1.77 -2.02 115.31 115.95 2png h LEU 69 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2png h LEU 69 Cb 0.43 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 2png h LEU 69 CO 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 178.44 178.26 2png n GLN 70 N -5.26 1.13 -0.01 1.13 10.64 -0.78 -1.24 117.38 123.00 2png n GLN 70 Ca -0.05 -0.16 0.10 0.00 -1.83 0.00 0.00 57.00 55.06 2png n GLN 70 Cb 0.18 -1.16 -0.16 0.00 -0.86 0.00 0.00 30.24 28.24 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 -0.27 0.66 -0.07 2.61 2.13 -0.79 -4.30 120.64 120.61 2png n GLU 71 Ca 0.01 -0.17 0.05 0.00 0.66 0.00 0.00 57.16 57.72 2png n GLU 71 Cb 0.10 -1.54 0.07 0.00 0.27 0.00 0.00 31.44 30.34 2png n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2png n MET 72 N -2.32 1.80 0.00 5.31 2.81 -0.46 -4.73 117.12 119.53 2png n MET 72 Ca -0.05 -1.94 0.14 0.00 -1.81 0.00 0.00 57.70 54.04 2png n MET 72 Cb 0.60 -1.18 0.67 0.00 -0.71 0.00 0.00 33.22 32.60 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 -0.90 0.00 0.00 7.83 3.41 -0.37 -4.91 113.62 118.68 2png n SER 73 Ca 0.08 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2png n SER 73 Cb 0.48 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.40 0.00 -4.58 4.04 7.64 -1.26 -4.80 113.62 113.26 2png n SER 74 Ca 0.10 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.72 2png n SER 74 Cb 0.29 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.00 1.88 -0.30 1.43 -2.85 -1.26 -5.12 119.74 113.52 2png s LYS 75 Ca 0.00 -2.03 -0.01 0.00 -1.00 0.00 0.00 55.97 52.92 2png s LYS 75 Cb 0.00 -1.58 0.05 0.00 -2.06 0.00 0.00 37.83 34.24 2png s LYS 75 CO 0.00 -0.00 0.01 0.00 0.10 0.00 0.00 175.35 175.45 2png s ALA 76 N -2.74 2.82 -1.19 0.59 0.00 -1.26 -4.91 121.76 115.08 2png s ALA 76 Ca 0.34 -1.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.32 2png s ALA 76 Cb 0.08 -1.94 0.14 0.00 0.00 0.00 0.00 23.12 21.39 2png s ALA 76 CO 0.17 -1.31 1.46 0.20 0.00 0.00 0.00 175.76 176.29 2png s GLY 77 N 1.27 2.16 -0.21 0.00 0.00 -1.26 -4.65 107.32 104.63 2png s GLY 77 Ca -0.04 -3.17 0.09 0.00 0.00 0.00 0.00 44.72 41.60 2png s GLY 77 CO -0.02 2.21 -0.08 1.44 0.00 0.00 0.00 173.10 176.65 2png n SER 78 N 6.41 1.30 0.00 1.64 7.64 -1.26 -4.91 113.62 124.44 2png n SER 78 Ca 0.38 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2png n SER 78 Cb 0.44 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 2png n SER 78 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2png n ASP 79 N -2.95 0.00 0.00 6.43 2.03 -1.26 -3.99 116.55 116.81 2png n ASP 79 Ca -0.36 0.00 0.00 0.00 0.52 0.00 0.00 54.79 54.95 2png n ASP 79 Cb 1.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.43 2png n ASP 79 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2png n THR 80 N 0.00 0.00 -2.80 5.18 5.66 -1.26 -5.07 114.28 115.99 2png n THR 80 Ca 0.00 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2png n THR 80 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2png n THR 80 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2png n GLU 81 N 0.00 -3.01 -2.31 1.09 2.13 -1.26 -4.98 120.64 112.30 2png n GLU 81 Ca 0.00 2.49 -0.33 0.00 0.66 0.00 0.00 57.16 59.98 2png n GLU 81 Cb 0.00 -4.75 -0.02 0.00 0.27 0.00 0.00 31.44 26.95 2png n GLU 81 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2png s LEU 82 N -1.57 3.67 -0.04 4.31 1.43 -1.26 -4.66 118.68 120.56 2png s LEU 82 Ca 0.01 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 54.92 2png s LEU 82 Cb -0.00 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.68 2png s LEU 82 CO 0.67 -0.92 0.04 0.00 0.23 0.00 0.00 176.35 176.37 2png n ALA 83 N -1.51 -3.13 -2.22 4.21 0.00 -1.26 -5.13 120.51 111.47 2png n ALA 83 Ca 0.09 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 2png n ALA 83 Cb 0.53 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.16 1.22 -0.78 0.00 0.00 -1.26 -5.06 121.76 115.72 2png s ALA 84 Ca -0.04 -1.57 -0.25 0.00 0.00 0.00 0.00 51.96 50.10 2png s ALA 84 Cb 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 23.12 23.61 2png s ALA 84 CO 0.15 -0.37 2.46 -2.30 0.00 0.00 0.00 175.76 175.69 2png n PRO 85 N -0.21 0.47 0.00 0.00 -0.02 -1.26 -4.44 135.00 129.54 2png n PRO 85 Ca -0.06 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2png n PRO 85 Cb 0.63 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2png n PRO 85 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2png n LYS 86 N 8.26 0.58 -3.21 -0.52 4.81 -1.26 -5.01 118.16 121.81 2png n LYS 86 Ca 0.53 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.57 2png n LYS 86 Cb 0.31 -0.71 -0.07 0.00 0.02 0.00 0.00 35.03 34.59 2png n LYS 86 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2png s SER 87 N -2.85 6.59 0.16 3.14 0.15 -1.26 -4.95 113.70 114.68 2png s SER 87 Ca 0.00 0.71 -0.12 0.00 0.70 0.00 0.00 55.95 57.24 2png s SER 87 Cb 0.00 -2.31 0.06 0.00 -1.71 0.00 0.00 66.02 62.06 2png s SER 87 CO 0.00 -0.21 1.69 0.11 1.20 0.00 0.00 173.24 176.03 2png h LYS 88 N 7.49 0.88 -0.02 5.44 1.57 -1.99 -3.52 116.57 126.42 2png h LYS 88 Ca -0.33 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2png h LYS 88 Cb 1.15 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2png h LYS 88 CO 0.75 0.80 0.00 -1.71 -0.57 0.00 0.00 179.45 178.72