#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpt n GLY 2 N 0.00 2.31 3.66 -3.96 0.00 -1.26 -0.90 105.19 105.04 1kpt n GLY 2 Ca 0.00 -1.75 -0.44 0.00 0.00 0.00 0.00 46.02 43.83 1kpt n GLY 2 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1kpt n ILE 3 N 0.00 1.83 -3.75 -0.61 3.06 -1.26 -4.74 119.36 113.88 1kpt n ILE 3 Ca 0.00 -0.46 -0.08 0.00 -2.50 0.00 0.00 62.75 59.71 1kpt n ILE 3 Cb 0.00 -1.37 -0.02 0.00 0.54 0.00 0.00 39.64 38.79 1kpt n ILE 3 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1kpt s ASN 4 N -0.29 -0.32 -0.27 9.51 2.20 -0.85 -5.01 114.94 119.90 1kpt s ASN 4 Ca 0.58 -0.45 0.11 0.00 -0.94 0.00 0.00 52.86 52.16 1kpt s ASN 4 Cb -0.62 0.68 0.53 0.00 -2.00 0.00 0.00 41.25 39.83 1kpt s ASN 4 CO 0.60 -1.22 1.49 0.00 -2.94 0.00 0.00 177.10 175.02 1kpt s ARG 6 N -3.14 3.55 -0.05 0.00 0.52 -1.26 -4.38 118.95 114.18 1kpt s ARG 6 Ca 0.45 1.74 -0.27 0.00 -0.52 0.00 0.00 55.73 57.13 1kpt s ARG 6 Cb 0.40 -2.24 0.09 0.00 0.52 0.00 0.00 34.95 33.72 1kpt s ARG 6 CO 0.03 -0.72 1.23 0.41 0.02 0.00 0.00 175.30 176.28 1kpt n GLY 7 N 0.36 0.18 3.74 -3.53 0.00 -1.26 -3.46 105.19 101.21 1kpt n GLY 7 Ca 0.09 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1kpt n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kpt s SER 8 N -3.71 4.64 0.60 1.61 0.15 -1.26 -4.88 113.70 110.85 1kpt s SER 8 Ca 0.29 2.40 0.30 0.00 0.70 0.00 0.00 55.95 59.65 1kpt s SER 8 Cb -0.00 -2.60 1.69 0.00 -1.71 0.00 0.00 66.02 63.40 1kpt s SER 8 CO -0.02 -1.97 2.07 0.28 1.20 0.00 0.00 173.24 174.81 1kpt h SER 9 N 0.26 0.00 0.41 5.45 0.02 -2.01 0.99 113.55 118.68 1kpt h SER 9 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1kpt h SER 9 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1kpt h SER 9 CO 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.21 1kpt n GLN 10 N -3.62 0.17 0.14 3.45 3.00 -1.26 -1.47 117.38 117.79 1kpt n GLN 10 Ca 0.02 0.52 0.13 0.00 -0.01 0.00 0.00 57.00 57.65 1kpt n GLN 10 Cb 0.36 -1.91 0.41 0.00 0.00 0.00 0.00 30.24 29.10 1kpt n GLN 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kpt s GLY 12 N -3.72 0.20 -0.04 0.00 0.00 -0.54 -4.78 107.32 98.43 1kpt s GLY 12 Ca 0.08 -1.51 0.02 0.00 0.00 0.00 0.00 44.72 43.30 1kpt s GLY 12 CO 0.56 3.47 -0.06 1.08 0.00 0.00 0.00 173.10 178.14 1kpt s LEU 13 N 9.95 1.51 -0.10 0.66 1.43 -1.26 -5.12 118.68 125.75 1kpt s LEU 13 Ca 0.69 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1kpt s LEU 13 Cb -0.07 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 1kpt s LEU 13 CO -0.01 -0.01 0.12 -0.94 0.23 0.00 0.00 176.35 175.74 1kpt s SER 14 N 0.67 6.19 0.00 2.29 1.04 -1.26 -4.88 113.70 117.74 1kpt s SER 14 Ca -0.10 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1kpt s SER 14 Cb -0.13 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1kpt s SER 14 CO 0.01 0.38 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1kpt n GLY 15 N 1.86 1.04 3.62 7.32 0.00 -1.26 -5.06 105.19 112.71 1kpt n GLY 15 Ca -0.18 -1.09 -0.46 0.00 0.00 0.00 0.00 46.02 44.29 1kpt n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpt n GLY 16 N 0.00 0.25 3.40 -0.02 0.00 -1.26 -4.91 105.19 102.65 1kpt n GLY 16 Ca 0.00 0.44 -0.45 0.00 0.00 0.00 0.00 46.02 46.01 1kpt n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kpt s ASN 17 N -0.11 6.74 0.31 1.61 3.84 -1.26 -4.86 114.94 121.21 1kpt s ASN 17 Ca 0.65 -2.41 0.05 0.00 0.21 0.00 0.00 52.86 51.36 1kpt s ASN 17 Cb -0.71 -2.32 0.53 0.00 -0.55 0.00 0.00 41.25 38.20 1kpt s ASN 17 CO 0.55 -0.83 1.78 -0.07 -2.79 0.00 0.00 177.10 175.74 1kpt h LEU 18 N 9.22 0.37 -0.86 3.21 3.38 -1.80 -2.99 115.31 125.84 1kpt h LEU 18 Ca 0.15 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1kpt h LEU 18 Cb 1.01 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1kpt h LEU 18 CO 0.98 0.61 0.52 -0.03 0.09 0.00 0.00 178.44 180.61 1kpt h MET 19 N 0.34 0.87 -0.53 1.13 4.05 -1.39 -0.85 114.93 118.56 1kpt h MET 19 Ca 0.06 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1kpt h MET 19 Cb 0.59 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 1kpt h MET 19 CO 0.04 0.58 0.31 0.28 0.23 0.00 0.00 176.91 178.35 1kpt h VAL 20 N 0.90 1.04 -0.75 -5.77 2.07 -1.78 0.92 116.25 112.88 1kpt h VAL 20 Ca 0.40 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.66 1kpt h VAL 20 Cb 0.29 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1kpt h VAL 20 CO -0.22 0.11 0.28 0.03 0.02 0.00 0.00 177.57 177.80 1kpt h ARG 21 N 0.62 1.14 -0.55 1.57 3.08 -1.27 -0.24 114.38 118.73 1kpt h ARG 21 Ca 0.22 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1kpt h ARG 21 Cb 0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1kpt h ARG 21 CO -0.10 0.94 -0.03 0.82 -1.07 0.00 0.00 179.97 180.52 1kpt h ILE 22 N 1.10 1.27 -0.33 2.04 2.04 -0.81 -2.31 117.51 120.50 1kpt h ILE 22 Ca 0.25 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1kpt h ILE 22 Cb 0.24 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1kpt h ILE 22 CO -0.02 0.41 0.19 -0.09 0.00 0.00 0.00 178.15 178.65 1kpt h ARG 23 N 0.87 0.45 -0.86 2.37 1.12 -0.44 -2.46 114.38 115.45 1kpt h ARG 23 Ca 0.15 -0.05 0.05 0.00 -1.11 0.00 0.00 59.98 59.02 1kpt h ARG 23 Cb 0.58 -0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 30.40 1kpt h ARG 23 CO 0.03 0.37 0.56 -0.44 -3.11 0.00 0.00 179.97 177.38 1kpt h ASP 24 N 0.42 0.88 -0.20 -3.80 3.32 -0.88 0.73 116.42 116.89 1kpt h ASP 24 Ca 0.12 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1kpt h ASP 24 Cb 0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1kpt h ASP 24 CO -0.02 0.58 0.07 1.56 -1.72 0.00 0.00 179.24 179.71 1kpt h GLN 25 N 1.01 0.30 -0.19 3.56 4.20 -0.99 -0.72 115.11 122.28 1kpt h GLN 25 Ca 0.35 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1kpt h GLN 25 Cb 0.12 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1kpt h GLN 25 CO -0.12 0.39 0.07 0.00 -0.67 0.00 0.00 178.83 178.50 1kpt h ALA 26 N 0.90 0.25 0.00 3.87 0.00 -1.00 -2.86 119.26 120.42 1kpt h ALA 26 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1kpt h ALA 26 Cb 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1kpt h ALA 26 CO -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.06 1kpt h GLY 28 N 2.10 0.00 -6.16 0.00 0.00 -0.91 -3.37 103.07 94.72 1kpt h GLY 28 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1kpt h GLY 28 CO 0.01 0.00 -1.01 -2.01 0.00 0.00 0.00 176.54 173.52 1kpt n ASN 29 N -2.68 0.34 0.00 0.19 5.15 -1.06 -4.96 115.26 112.24 1kpt n ASN 29 Ca 0.04 -2.67 0.13 0.00 -0.60 0.00 0.00 54.58 51.48 1kpt n ASN 29 Cb 0.49 -0.62 0.77 0.00 -0.53 0.00 0.00 39.78 39.89 1kpt n ASN 29 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kpt n GLN 30 N 1.82 0.84 0.21 1.20 6.02 -1.22 -3.77 117.38 122.48 1kpt n GLN 30 Ca 0.24 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.35 1kpt n GLN 30 Cb 0.50 -1.48 0.16 0.00 1.02 0.00 0.00 30.24 30.43 1kpt n GLN 30 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1kpt h GLY 31 N 4.24 0.00 -1.66 1.08 0.00 -1.90 -3.14 103.07 101.69 1kpt h GLY 31 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1kpt h GLY 31 CO 0.00 0.00 0.38 -0.86 0.00 0.00 0.00 176.54 176.06 1kpt s GLN 32 N -3.19 3.38 -0.13 4.80 -2.07 -1.25 -4.76 119.66 116.44 1kpt s GLN 32 Ca 0.07 1.11 -0.04 0.00 -1.82 0.00 0.00 55.36 54.67 1kpt s GLN 32 Cb 0.05 -2.05 -0.04 0.00 -1.09 0.00 0.00 33.01 29.89 1kpt s GLN 32 CO 0.68 -0.76 0.03 0.99 -1.32 0.00 0.00 175.29 174.91 1kpt s THR 33 N -2.59 4.54 -0.42 3.63 2.01 -1.26 -0.56 115.64 120.98 1kpt s THR 33 Ca 0.62 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.34 1kpt s THR 33 Cb -0.14 -2.97 0.05 0.00 0.01 0.00 0.00 72.50 69.44 1kpt s THR 33 CO 0.39 0.55 0.30 0.26 -0.69 0.00 0.00 174.62 175.43 1kpt s TRP 34 N -0.38 3.26 0.26 4.92 0.52 0.32 -4.95 118.94 122.89 1kpt s TRP 34 Ca 0.08 -0.94 0.06 0.00 0.02 0.00 0.00 56.10 55.32 1kpt s TRP 34 Cb -0.12 -2.77 -0.03 0.00 -1.15 0.00 0.00 33.47 29.40 1kpt s TRP 34 CO 0.02 -0.71 0.30 0.00 0.02 0.00 0.00 176.95 176.58 1kpt n PRO 36 N -1.34 0.97 0.00 0.00 -0.02 -1.26 -2.19 135.00 131.16 1kpt n PRO 36 Ca -0.07 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1kpt n PRO 36 Cb 0.58 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1kpt n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kpt n GLY 37 N 2.34 2.78 3.64 -1.23 0.00 -0.17 -4.95 105.19 107.60 1kpt n GLY 37 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1kpt n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kpt s GLU 38 N -0.12 4.00 -1.28 1.61 2.02 -0.93 -4.91 118.70 119.09 1kpt s GLU 38 Ca 0.00 1.31 -0.16 0.00 0.02 0.00 0.00 54.97 56.15 1kpt s GLU 38 Cb 0.00 -3.84 0.11 0.00 0.10 0.00 0.00 34.13 30.51 1kpt s GLU 38 CO 0.00 -1.01 1.67 0.54 0.02 0.00 0.00 175.26 176.48 1kpt n ARG 39 N 7.11 3.27 0.03 1.61 1.74 -1.26 -4.39 116.66 124.78 1kpt n ARG 39 Ca 0.14 -3.47 0.13 0.00 -0.77 0.00 0.00 57.85 53.88 1kpt n ARG 39 Cb 0.46 -3.27 0.52 0.00 -1.02 0.00 0.00 32.46 29.16 1kpt n ARG 39 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1kpt n ARG 40 N 6.89 0.07 -3.82 5.56 5.12 -1.19 -4.74 116.66 124.54 1kpt n ARG 40 Ca 0.44 0.10 -0.13 0.00 -1.93 0.00 0.00 57.85 56.33 1kpt n ARG 40 Cb 0.44 -1.59 -0.14 0.00 -1.16 0.00 0.00 32.46 30.00 1kpt n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kpt s ALA 41 N -3.04 -0.07 -0.04 7.54 0.00 -1.26 -4.91 121.76 119.99 1kpt s ALA 41 Ca 0.12 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1kpt s ALA 41 Cb 0.16 -0.16 0.11 0.00 0.00 0.00 0.00 23.12 23.23 1kpt s ALA 41 CO 0.50 -0.06 0.94 -1.59 0.00 0.00 0.00 175.76 175.55 1kpt s LYS 42 N 0.45 0.73 -0.16 0.00 -2.85 -1.26 -0.88 119.74 115.77 1kpt s LYS 42 Ca -0.04 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 54.71 1kpt s LYS 42 Cb -0.05 0.34 0.03 0.00 -2.06 0.00 0.00 37.83 36.09 1kpt s LYS 42 CO -0.02 -0.31 -0.12 0.08 0.10 0.00 0.00 175.35 175.08 1kpt s VAL 43 N -2.83 1.54 0.02 1.79 1.01 -0.39 -4.94 120.40 116.60 1kpt s VAL 43 Ca 0.05 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1kpt s VAL 43 Cb -0.01 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 1kpt s VAL 43 CO -0.07 0.37 0.39 0.00 0.00 0.00 0.00 175.10 175.78 1kpt n GLY 45 N 1.49 3.98 3.53 0.00 0.00 -0.14 -4.96 105.19 109.10 1kpt n GLY 45 Ca -0.12 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 1kpt n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kpt s THR 46 N 2.06 4.75 -0.41 2.61 -1.32 -1.26 -4.02 115.64 118.05 1kpt s THR 46 Ca 0.00 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 1kpt s THR 46 Cb 0.00 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.74 1kpt s THR 46 CO 0.00 -0.64 0.00 0.61 -2.21 0.00 0.00 174.62 172.38 1kpt n GLY 47 N 4.99 0.64 2.06 6.08 0.00 -1.26 -4.96 105.19 112.74 1kpt n GLY 47 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 1kpt n GLY 47 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kpt n ASN 48 N 0.09 -1.12 -3.63 1.61 0.23 -1.26 -3.17 115.26 108.02 1kpt n ASN 48 Ca -0.04 -1.96 -0.02 0.00 -0.53 0.00 0.00 54.58 52.02 1kpt n ASN 48 Cb 0.23 1.93 -0.01 0.00 -2.08 0.00 0.00 39.78 39.85 1kpt n ASN 48 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1kpt s SER 49 N -2.19 -0.15 -0.31 0.53 1.04 -0.70 -0.97 113.70 110.95 1kpt s SER 49 Ca 0.12 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.33 1kpt s SER 49 Cb -0.02 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.37 1kpt s SER 49 CO 0.09 -0.46 0.11 -0.63 0.98 0.00 0.00 173.24 173.33 1kpt s ILE 50 N -2.71 4.09 0.15 -1.02 -1.09 -0.21 -0.78 121.20 119.64 1kpt s ILE 50 Ca 0.11 -0.74 0.10 0.00 -2.23 0.00 0.00 60.65 57.89 1kpt s ILE 50 Cb 0.01 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 1kpt s ILE 50 CO -0.03 0.01 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.04 1kpt s SER 51 N 1.51 3.71 -0.09 3.58 0.01 -0.10 -1.26 113.70 121.05 1kpt s SER 51 Ca 0.02 -0.69 -0.02 0.00 1.31 0.00 0.00 55.95 56.57 1kpt s SER 51 Cb -0.18 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 1kpt s SER 51 CO 0.03 0.15 0.01 0.00 0.41 0.00 0.00 173.24 173.84 1kpt s ALA 52 N -1.38 3.32 -0.10 1.44 0.00 -0.06 -1.12 121.76 123.86 1kpt s ALA 52 Ca 0.19 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 1kpt s ALA 52 Cb -0.09 -1.53 0.11 0.00 0.00 0.00 0.00 23.12 21.61 1kpt s ALA 52 CO 0.10 0.57 0.88 1.52 0.00 0.00 0.00 175.76 178.83 1kpt s TYR 53 N -0.82 -0.45 0.22 0.00 -0.85 -0.09 -3.18 117.35 112.18 1kpt s TYR 53 Ca 0.13 0.69 -0.26 0.00 -0.52 0.00 0.00 57.07 57.11 1kpt s TYR 53 Cb -0.11 0.46 -0.09 0.00 0.38 0.00 0.00 41.96 42.60 1kpt s TYR 53 CO 0.02 -0.46 0.84 0.08 -1.52 0.00 0.00 175.55 174.51 1kpt s VAL 54 N -1.52 4.30 0.29 -3.49 1.01 -1.26 -0.67 120.40 119.06 1kpt s VAL 54 Ca -0.03 1.76 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 1kpt s VAL 54 Cb -0.00 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1kpt s VAL 54 CO 0.02 0.41 0.55 0.00 0.00 0.00 0.00 175.10 176.08 1kpt s GLN 55 N -1.42 1.73 -1.16 2.72 -2.07 -0.22 -0.99 119.66 118.25 1kpt s GLN 55 Ca 0.40 -1.33 0.00 0.00 -1.82 0.00 0.00 55.36 52.61 1kpt s GLN 55 Cb -0.22 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 1kpt s GLN 55 CO 0.27 -0.74 0.00 0.43 -1.32 0.00 0.00 175.29 173.92 1kpt n SER 56 N -0.70 -4.20 -3.53 12.60 7.64 -1.26 -1.23 113.62 122.95 1kpt n SER 56 Ca -0.02 0.19 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 1kpt n SER 56 Cb 0.61 -2.95 -0.02 0.00 -1.01 0.00 0.00 64.21 60.84 1kpt n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1kpt s THR 57 N -2.48 0.00 -1.39 0.44 -1.32 -1.26 -2.81 115.64 106.82 1kpt s THR 57 Ca 0.00 -0.14 0.20 0.00 -1.21 0.00 0.00 61.69 60.54 1kpt s THR 57 Cb 0.00 -1.18 -0.12 0.00 -1.51 0.00 0.00 72.50 69.70 1kpt s THR 57 CO 0.00 0.00 0.93 0.59 -2.21 0.00 0.00 174.62 173.93 1kpt n ASN 58 N -0.33 1.41 -4.85 8.08 4.13 -1.26 -4.72 115.26 117.72 1kpt n ASN 58 Ca -0.11 -1.21 -0.31 0.00 1.68 0.00 0.00 54.58 54.63 1kpt n ASN 58 Cb 0.63 0.75 0.01 0.00 -1.54 0.00 0.00 39.78 39.62 1kpt n ASN 58 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1kpt s ASN 59 N -2.60 6.16 0.23 6.41 0.01 -1.26 -4.76 114.94 119.13 1kpt s ASN 59 Ca 0.12 1.51 0.09 0.00 -0.71 0.00 0.00 52.86 53.87 1kpt s ASN 59 Cb 0.16 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1kpt s ASN 59 CO 0.67 -0.92 -0.06 0.00 -1.51 0.00 0.00 177.10 175.29 1kpt s ILE 61 N -2.09 1.64 0.61 0.00 -4.36 0.19 -4.96 121.20 112.23 1kpt s ILE 61 Ca 0.29 -2.17 -0.12 0.00 -0.26 0.00 0.00 60.65 58.38 1kpt s ILE 61 Cb -0.07 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 1kpt s ILE 61 CO 0.18 -0.61 1.03 -0.94 0.24 0.00 0.00 174.94 174.83 1kpt s SER 62 N -3.26 6.18 0.53 4.36 1.04 -1.26 -0.52 113.70 120.76 1kpt s SER 62 Ca 0.21 1.49 0.20 0.00 0.48 0.00 0.00 55.95 58.33 1kpt s SER 62 Cb -0.00 -2.48 1.40 0.00 0.10 0.00 0.00 66.02 65.03 1kpt s SER 62 CO 0.06 -0.90 2.16 1.23 0.98 0.00 0.00 173.24 176.77 1kpt h GLY 63 N -0.09 0.00 0.96 7.32 0.00 -0.79 -1.01 103.07 109.46 1kpt h GLY 63 Ca -0.45 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1kpt h GLY 63 CO 0.61 0.00 -0.06 -0.84 0.00 0.00 0.00 176.54 176.25 1kpt h THR 64 N 0.00 1.27 -0.48 4.70 2.02 -1.83 -1.45 112.91 117.15 1kpt h THR 64 Ca -0.00 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 65.98 1kpt h THR 64 Cb 0.04 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1kpt h THR 64 CO 0.00 0.37 -0.02 -0.33 0.37 0.00 0.00 175.52 175.91 1kpt h GLU 65 N 0.54 0.86 -0.67 6.66 4.39 -1.61 -2.01 114.58 122.73 1kpt h GLU 65 Ca 0.10 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1kpt h GLU 65 Cb 0.56 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1kpt h GLU 65 CO 0.03 0.91 0.42 0.00 -1.16 0.00 0.00 179.01 179.22 1kpt h ALA 66 N 0.91 0.85 -0.32 3.43 0.00 -1.13 -1.08 119.26 121.93 1kpt h ALA 66 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1kpt h ALA 66 Cb 0.54 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1kpt h ALA 66 CO 0.03 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.73 1kpt h ARG 68 N 0.32 0.60 -0.67 0.00 2.43 -0.90 -0.92 114.38 115.24 1kpt h ARG 68 Ca 0.13 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1kpt h ARG 68 Cb 0.06 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1kpt h ARG 68 CO -0.10 0.39 0.09 0.45 -1.51 0.00 0.00 179.97 179.30 1kpt h HIS 69 N 0.61 1.19 -0.19 2.20 3.86 -0.89 -0.48 115.15 121.45 1kpt h HIS 69 Ca 0.21 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 1kpt h HIS 69 Cb 0.03 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 1kpt h HIS 69 CO -0.07 1.00 -0.31 -0.07 0.86 0.00 0.00 177.93 179.34 1kpt h LEU 70 N 1.04 0.40 -0.63 2.43 3.38 -1.00 -1.87 115.31 119.05 1kpt h LEU 70 Ca 0.20 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1kpt h LEU 70 Cb 0.46 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1kpt h LEU 70 CO 0.02 0.69 -0.22 0.74 0.09 0.00 0.00 178.44 179.76 1kpt h THR 71 N 0.34 1.27 -0.83 0.22 2.02 -0.82 -1.62 112.91 113.49 1kpt h THR 71 Ca 0.04 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.89 1kpt h THR 71 Cb 0.72 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1kpt h THR 71 CO 0.05 0.46 0.55 0.78 0.37 0.00 0.00 175.52 177.73 1kpt h ASN 72 N 0.73 0.95 -0.44 4.18 2.35 -0.56 -0.51 115.58 122.28 1kpt h ASN 72 Ca 0.10 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1kpt h ASN 72 Cb 0.75 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1kpt h ASN 72 CO 0.06 0.69 0.07 -0.07 -1.65 0.00 0.00 177.43 176.53 1kpt h LEU 73 N 1.13 0.70 -0.42 1.61 3.38 -0.98 -0.77 115.31 119.95 1kpt h LEU 73 Ca 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1kpt h LEU 73 Cb -0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1kpt h LEU 73 CO -0.07 0.79 0.20 0.58 0.09 0.00 0.00 178.44 180.03 1kpt h VAL 74 N 0.59 1.18 0.00 1.22 2.07 -0.99 -2.44 116.25 117.88 1kpt h VAL 74 Ca 0.13 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1kpt h VAL 74 Cb 0.39 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1kpt h VAL 74 CO 0.01 0.20 -0.09 -1.13 0.02 0.00 0.00 177.57 176.57 1kpt h ASN 75 N 0.54 0.00 1.57 0.57 -1.24 -0.81 -2.01 115.58 114.21 1kpt h ASN 75 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1kpt h ASN 75 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1kpt h ASN 75 CO -0.02 0.09 -0.02 -0.74 -1.29 0.00 0.00 177.43 175.45 1kpt h HIS 76 N 0.00 0.00 0.00 0.67 2.76 -0.83 -3.47 115.15 114.28 1kpt h HIS 76 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1kpt h HIS 76 Cb 0.44 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1kpt h HIS 76 CO 0.00 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.04 1kpt n GLY 77 N 1.26 0.68 3.61 5.26 0.00 -0.75 -5.05 105.19 110.20 1kpt n GLY 77 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1kpt n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kpt h ARG 79 N 10.37 0.00 0.00 0.00 -0.00 -1.92 -3.40 114.38 119.43 1kpt h ARG 79 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.20 1kpt h ARG 79 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.08 1kpt h ARG 79 CO 1.05 0.27 -0.36 0.28 0.00 0.00 0.00 179.97 181.21 1kpt n VAL 80 N -3.01 0.00 -4.22 2.04 0.31 -1.26 -1.27 118.33 110.92 1kpt n VAL 80 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.17 1kpt n VAL 80 Cb 0.70 -0.85 -0.11 0.00 -0.91 0.00 0.00 33.84 32.68 1kpt n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kpt n GLY 82 N 0.24 0.15 2.98 0.00 0.00 -0.74 -4.42 105.19 103.39 1kpt n GLY 82 Ca -0.13 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1kpt n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kpt s SER 83 N 0.00 0.15 -0.09 1.61 0.01 -0.52 -0.36 113.70 114.50 1kpt s SER 83 Ca 0.00 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 56.94 1kpt s SER 83 Cb 0.00 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.35 1kpt s SER 83 CO 0.00 -0.25 -0.14 -0.62 0.41 0.00 0.00 173.24 172.64 1kpt s ASP 84 N -1.14 2.16 0.45 2.44 2.15 -0.39 -2.01 116.67 120.33 1kpt s ASP 84 Ca -0.12 -0.37 -0.25 0.00 0.43 0.00 0.00 52.55 52.24 1kpt s ASP 84 Cb -0.08 -0.97 -0.08 0.00 -0.30 0.00 0.00 42.92 41.49 1kpt s ASP 84 CO -0.00 0.03 1.39 -2.16 -0.17 0.00 0.00 175.17 174.25 1kpt s PRO 85 N 0.83 3.69 0.19 4.34 0.04 -1.26 -0.64 135.00 142.18 1kpt s PRO 85 Ca -0.11 2.33 0.07 0.00 0.04 0.00 0.00 61.00 63.33 1kpt s PRO 85 Cb -0.15 -2.63 0.05 0.00 0.04 0.00 0.00 34.50 31.80 1kpt s PRO 85 CO 0.01 -0.78 1.42 -0.07 0.04 0.00 0.00 177.00 177.62 1kpt h LEU 86 N 2.30 0.08 -8.53 -3.56 3.38 -1.48 -3.44 115.31 104.06 1kpt h LEU 86 Ca -0.51 -0.06 -0.65 0.00 0.09 0.00 0.00 57.88 56.75 1kpt h LEU 86 Cb 1.26 -0.02 -0.25 0.00 0.09 0.00 0.00 40.66 41.74 1kpt h LEU 86 CO 0.61 0.87 -0.67 -0.31 0.09 0.00 0.00 178.44 179.03 1kpt s TYR 87 N -3.17 3.02 0.15 1.13 2.02 -1.26 -5.06 117.35 114.17 1kpt s TYR 87 Ca -0.01 -0.67 -0.34 0.00 -0.37 0.00 0.00 57.07 55.68 1kpt s TYR 87 Cb 0.11 -2.17 -0.16 0.00 -0.40 0.00 0.00 41.96 39.34 1kpt s TYR 87 CO 0.80 -0.44 1.20 0.00 -1.57 0.00 0.00 175.55 175.54 1kpt n ALA 88 N 4.82 -0.90 -0.22 3.71 0.00 -1.26 -1.03 120.51 125.63 1kpt n ALA 88 Ca -0.17 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1kpt n ALA 88 Cb 0.51 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1kpt n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kpt n GLY 89 N 2.14 2.18 3.91 0.00 0.00 -1.26 -5.00 105.19 107.16 1kpt n GLY 89 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1kpt n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kpt s ASN 90 N -3.52 6.45 0.53 1.61 -0.87 -0.20 -5.08 114.94 113.86 1kpt s ASN 90 Ca 0.00 0.61 -0.19 0.00 -1.57 0.00 0.00 52.86 51.71 1kpt s ASN 90 Cb 0.00 -2.10 -0.06 0.00 -0.02 0.00 0.00 41.25 39.07 1kpt s ASN 90 CO 0.00 -0.11 1.08 -0.62 -2.57 0.00 0.00 177.10 174.89 1kpt s ASP 91 N -3.01 5.93 0.59 -1.22 -1.08 -1.26 -4.69 116.67 111.94 1kpt s ASP 91 Ca 0.42 2.03 0.30 0.00 -0.52 0.00 0.00 52.55 54.78 1kpt s ASP 91 Cb -0.11 -2.57 1.78 0.00 -1.46 0.00 0.00 42.92 40.57 1kpt s ASP 91 CO 0.28 -1.07 2.20 -0.37 0.52 0.00 0.00 175.17 176.73 1kpt h VAL 92 N 1.18 0.47 0.00 1.11 -1.51 -1.28 -2.23 116.25 114.00 1kpt h VAL 92 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1kpt h VAL 92 Cb 1.24 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1kpt h VAL 92 CO 0.58 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.38 1kpt n SER 93 N -3.78 0.51 -0.71 4.19 3.41 -1.26 -1.66 113.62 114.31 1kpt n SER 93 Ca -0.01 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 1kpt n SER 93 Cb 0.18 -0.76 0.31 0.00 -0.26 0.00 0.00 64.21 63.69 1kpt n SER 93 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kpt n ARG 94 N -2.11 1.93 0.00 4.33 1.74 -0.84 -4.82 116.66 116.90 1kpt n ARG 94 Ca 0.01 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.68 1kpt n ARG 94 Cb 0.15 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1kpt n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kpt n GLY 95 N 1.22 4.17 3.37 -0.13 0.00 -0.66 -4.73 105.19 108.42 1kpt n GLY 95 Ca 0.17 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1kpt n GLY 95 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kpt s GLN 96 N -4.26 1.03 -0.29 1.61 -2.07 -0.37 -1.19 119.66 114.13 1kpt s GLN 96 Ca 0.00 -0.34 -0.09 0.00 -1.82 0.00 0.00 55.36 53.11 1kpt s GLN 96 Cb 0.00 0.47 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 1kpt s GLN 96 CO 0.00 -0.38 0.12 -1.17 -1.32 0.00 0.00 175.29 172.54 1kpt s LEU 97 N -2.15 3.86 0.06 2.60 2.96 0.18 -1.05 118.68 125.14 1kpt s LEU 97 Ca -0.04 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1kpt s LEU 97 Cb -0.00 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1kpt s LEU 97 CO -0.04 -0.13 -0.21 0.42 -1.32 0.00 0.00 176.35 175.08 1kpt s THR 98 N 1.62 2.62 -0.18 3.68 -4.23 0.16 -1.26 115.64 118.05 1kpt s THR 98 Ca 0.05 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1kpt s THR 98 Cb -0.16 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.58 1kpt s THR 98 CO 0.06 0.28 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.56 1kpt s VAL 99 N -0.95 2.35 0.23 2.29 1.01 0.51 -0.91 120.40 124.92 1kpt s VAL 99 Ca 0.15 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 1kpt s VAL 99 Cb -0.10 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1kpt s VAL 99 CO 0.05 0.52 0.50 0.21 0.00 0.00 0.00 175.10 176.38 1kpt s ASN 100 N 1.26 -0.15 0.31 3.32 2.47 -0.27 -1.80 114.94 120.08 1kpt s ASN 100 Ca 0.04 -0.75 -0.29 0.00 0.42 0.00 0.00 52.86 52.28 1kpt s ASN 100 Cb -0.14 0.59 -0.10 0.00 -1.45 0.00 0.00 41.25 40.15 1kpt s ASN 100 CO -0.10 -1.11 1.28 -0.47 -3.72 0.00 0.00 177.10 172.98 1kpt s TYR 101 N -3.96 3.15 -0.01 0.43 5.04 -1.26 -0.92 117.35 119.82 1kpt s TYR 101 Ca 0.16 1.43 0.02 0.00 -2.44 0.00 0.00 57.07 56.25 1kpt s TYR 101 Cb -0.01 -3.62 -0.00 0.00 0.35 0.00 0.00 41.96 38.68 1kpt s TYR 101 CO 0.04 -1.69 -0.08 0.08 -1.34 0.00 0.00 175.55 172.57 1kpt s VAL 102 N -1.00 0.65 -0.19 3.14 1.01 0.04 -4.89 120.40 119.16 1kpt s VAL 102 Ca 0.49 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1kpt s VAL 102 Cb -0.38 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1kpt s VAL 102 CO 0.50 0.19 0.69 0.59 0.00 0.00 0.00 175.10 177.06 1kpt n ASN 103 N 2.98 1.99 -3.63 3.32 5.03 -1.26 -1.73 115.26 121.95 1kpt n ASN 103 Ca -0.14 -1.52 -0.06 0.00 0.87 0.00 0.00 54.58 53.73 1kpt n ASN 103 Cb 0.57 -0.38 -0.02 0.00 -1.02 0.00 0.00 39.78 38.93 1kpt n ASN 103 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1kpt s SER 104 N 0.76 -0.29 0.00 6.41 1.04 -1.19 -4.67 113.70 115.76 1kpt s SER 104 Ca 0.00 -0.22 0.20 0.00 0.48 0.00 0.00 55.95 56.41 1kpt s SER 104 Cb 0.00 0.47 0.16 0.00 0.10 0.00 0.00 66.02 66.75 1kpt s SER 104 CO 0.00 -0.82 1.14 0.00 0.98 0.00 0.00 173.24 174.54