#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkt n GLY 5 N 0.00 -2.90 3.38 0.62 0.00 -1.26 -4.85 105.19 100.18 1pkt n GLY 5 Ca 0.00 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 1pkt n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pkt s TYR 6 N -3.65 3.14 -0.16 1.61 2.02 -0.41 -4.81 117.35 115.08 1pkt s TYR 6 Ca 0.00 -0.79 -0.17 0.00 -0.37 0.00 0.00 57.07 55.75 1pkt s TYR 6 Cb 0.00 -2.27 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 1pkt s TYR 6 CO 0.00 -0.51 0.42 -0.65 -1.57 0.00 0.00 175.55 173.24 1pkt s GLN 7 N 1.55 4.26 0.52 -0.62 -0.21 -0.80 -2.44 119.66 121.91 1pkt s GLN 7 Ca 0.04 0.30 0.06 0.00 0.02 0.00 0.00 55.36 55.78 1pkt s GLN 7 Cb -0.17 -3.48 0.03 0.00 1.00 0.00 0.00 33.01 30.39 1pkt s GLN 7 CO 0.03 0.07 0.36 0.71 -2.12 0.00 0.00 175.29 174.35 1pkt s TYR 8 N 0.93 1.79 -0.17 0.91 2.02 -0.87 -2.40 117.35 119.56 1pkt s TYR 8 Ca 0.22 -0.80 -0.01 0.00 -0.37 0.00 0.00 57.07 56.10 1pkt s TYR 8 Cb -0.15 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.49 1pkt s TYR 8 CO 0.08 -0.37 -0.11 0.50 -1.57 0.00 0.00 175.55 174.09 1pkt s ARG 9 N -4.22 3.32 -0.06 -0.62 6.06 -1.02 -2.10 118.95 120.31 1pkt s ARG 9 Ca 0.34 -0.69 -0.29 0.00 -2.50 0.00 0.00 55.73 52.59 1pkt s ARG 9 Cb -0.02 -2.76 -0.07 0.00 0.06 0.00 0.00 34.95 32.17 1pkt s ARG 9 CO 0.21 0.00 2.00 0.00 -2.50 0.00 0.00 175.30 175.01 1pkt s ALA 10 N 0.90 3.30 0.02 6.12 0.00 -0.44 -1.47 121.76 130.20 1pkt s ALA 10 Ca -0.03 1.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 1pkt s ALA 10 Cb -0.15 -3.91 -0.29 0.00 0.00 0.00 0.00 23.12 18.77 1pkt s ALA 10 CO -0.00 -1.96 0.94 -0.07 0.00 0.00 0.00 175.76 174.67 1pkt h LEU 11 N 12.02 0.46 0.00 0.00 3.38 -1.34 -2.12 115.31 127.70 1pkt h LEU 11 Ca -0.45 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 56.95 1pkt h LEU 11 Cb 1.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1pkt h LEU 11 CO 0.95 1.47 0.00 -1.22 0.09 0.00 0.00 178.44 179.73 1pkt n TYR 12 N -3.51 0.00 -4.07 1.13 4.02 -1.07 -4.70 117.16 108.97 1pkt n TYR 12 Ca -0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.62 1pkt n TYR 12 Cb 1.05 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.33 1pkt n TYR 12 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pkt n ASP 13 N 0.00 -0.74 -3.64 7.72 5.68 -1.26 0.93 116.55 125.23 1pkt n ASP 13 Ca 0.00 -2.48 -0.05 0.00 -0.50 0.00 0.00 54.79 51.76 1pkt n ASP 13 Cb 0.00 1.52 -0.07 0.00 -1.14 0.00 0.00 41.12 41.43 1pkt n ASP 13 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1pkt s TYR 14 N -3.22 -0.46 -2.17 2.11 5.04 0.14 -4.79 117.35 114.00 1pkt s TYR 14 Ca 0.25 1.01 0.21 0.00 -2.44 0.00 0.00 57.07 56.11 1pkt s TYR 14 Cb 0.00 0.35 0.55 0.00 0.35 0.00 0.00 41.96 43.21 1pkt s TYR 14 CO 0.18 -0.23 1.46 1.17 -1.34 0.00 0.00 175.55 176.80 1pkt n LYS 15 N 2.85 2.46 -2.31 4.97 4.81 -1.26 -1.00 118.16 128.68 1pkt n LYS 15 Ca -0.15 -2.25 -0.01 0.00 -0.87 0.00 0.00 58.31 55.03 1pkt n LYS 15 Cb 0.57 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.11 1pkt n LYS 15 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1pkt n LYS 16 N 1.37 -4.79 -0.08 1.64 4.81 -1.25 -4.72 118.16 115.14 1pkt n LYS 16 Ca 0.21 3.53 -0.07 0.00 -0.87 0.00 0.00 58.31 61.10 1pkt n LYS 16 Cb 0.55 -4.53 -0.02 0.00 0.02 0.00 0.00 35.03 31.05 1pkt n LYS 16 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1pkt n GLU 17 N 1.70 0.45 -3.33 1.64 4.07 -1.26 -4.94 120.64 118.97 1pkt n GLU 17 Ca -0.07 0.26 -0.38 0.00 -0.06 0.00 0.00 57.16 56.90 1pkt n GLU 17 Cb 0.11 -1.39 -0.06 0.00 -0.06 0.00 0.00 31.44 30.04 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1pkt s ARG 18 N -2.55 4.13 0.45 5.31 0.52 -1.26 -4.93 118.95 120.62 1pkt s ARG 18 Ca -0.23 0.64 0.33 0.00 -0.52 0.00 0.00 55.73 55.96 1pkt s ARG 18 Cb 0.03 -3.24 1.49 0.00 0.52 0.00 0.00 34.95 33.75 1pkt s ARG 18 CO 0.34 0.64 1.60 1.49 0.02 0.00 0.00 175.30 179.38 1pkt h GLU 19 N 4.66 0.03 0.43 3.54 4.81 -2.02 0.92 114.58 126.96 1pkt h GLU 19 Ca -0.50 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1pkt h GLU 19 Cb 1.21 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1pkt h GLU 19 CO 0.63 0.02 -0.50 1.05 -0.73 0.00 0.00 179.01 179.49 1pkt h GLU 20 N 0.04 -0.91 -7.26 1.92 9.09 -1.96 -3.42 114.58 112.07 1pkt h GLU 20 Ca 0.86 0.06 -0.48 0.00 0.05 0.00 0.00 59.36 59.86 1pkt h GLU 20 Cb 2.81 0.21 0.18 0.00 -1.65 0.00 0.00 28.75 30.30 1pkt h GLU 20 CO -0.41 -0.61 0.16 0.16 0.05 0.00 0.00 179.01 178.36 1pkt s ASP 21 N -4.44 2.46 0.34 3.06 1.47 0.32 -1.70 116.67 118.17 1pkt s ASP 21 Ca -0.18 1.66 0.03 0.00 1.18 0.00 0.00 52.55 55.25 1pkt s ASP 21 Cb 0.05 -2.31 -0.05 0.00 -0.34 0.00 0.00 42.92 40.27 1pkt s ASP 21 CO 0.61 -3.31 0.08 0.27 0.68 0.00 0.00 175.17 173.51 1pkt s ILE 22 N -2.70 0.93 -0.19 2.11 -4.36 -0.85 -4.59 121.20 111.53 1pkt s ILE 22 Ca 0.66 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.76 1pkt s ILE 22 Cb -0.22 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.83 1pkt s ILE 22 CO 0.60 0.00 1.60 -1.81 0.24 0.00 0.00 174.94 175.57 1pkt s ASP 23 N -3.50 6.45 0.21 4.36 1.11 -1.26 -3.80 116.67 120.24 1pkt s ASP 23 Ca 0.33 1.71 0.06 0.00 0.18 0.00 0.00 52.55 54.83 1pkt s ASP 23 Cb 0.07 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 1pkt s ASP 23 CO 0.15 -1.18 0.19 -0.76 1.18 0.00 0.00 175.17 174.75 1pkt s LEU 24 N 4.94 3.88 -0.20 1.23 2.01 -0.17 -4.90 118.68 125.47 1pkt s LEU 24 Ca 0.71 -0.16 -0.27 0.00 0.01 0.00 0.00 54.13 54.42 1pkt s LEU 24 Cb -0.26 -2.45 0.07 0.00 0.01 0.00 0.00 46.19 43.57 1pkt s LEU 24 CO 0.28 0.00 0.71 -1.00 1.01 0.00 0.00 176.35 177.36 1pkt s HIS 25 N -1.96 -0.75 0.33 0.29 3.76 -1.26 -0.69 115.29 115.02 1pkt s HIS 25 Ca 0.32 1.67 -0.28 0.00 -0.15 0.00 0.00 55.06 56.62 1pkt s HIS 25 Cb -0.09 0.31 -0.12 0.00 1.11 0.00 0.00 32.58 33.79 1pkt s HIS 25 CO 0.25 -0.45 1.30 -0.11 -0.85 0.00 0.00 174.74 174.88 1pkt n LEU 26 N 2.13 3.45 0.00 0.89 7.94 0.27 -0.97 117.00 130.71 1pkt n LEU 26 Ca -0.16 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 1pkt n LEU 26 Cb 0.56 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1pkt n LEU 26 CO 0.10 -0.50 0.00 0.61 -1.11 0.00 0.00 177.39 176.48 1pkt n GLY 27 N 0.98 2.52 3.67 -3.96 0.00 -0.80 -4.93 105.19 102.67 1pkt n GLY 27 Ca 0.06 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1pkt n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkt s ASP 28 N 0.33 6.73 0.56 1.61 2.15 -0.14 -4.65 116.67 123.26 1pkt s ASP 28 Ca 0.00 2.17 -0.04 0.00 0.43 0.00 0.00 52.55 55.11 1pkt s ASP 28 Cb 0.00 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 1pkt s ASP 28 CO 0.00 -0.87 0.85 -0.63 -0.17 0.00 0.00 175.17 174.35 1pkt s ILE 29 N 3.59 3.54 0.02 4.11 1.09 -1.26 -1.32 121.20 130.97 1pkt s ILE 29 Ca 0.70 -0.19 0.01 0.00 -1.10 0.00 0.00 60.65 60.06 1pkt s ILE 29 Cb -0.32 -3.39 -0.02 0.00 -1.06 0.00 0.00 42.46 37.68 1pkt s ILE 29 CO 0.27 -0.36 -0.04 -1.48 -0.10 0.00 0.00 174.94 173.24 1pkt s LEU 30 N -4.89 2.18 -0.62 2.97 2.34 -0.89 -3.27 118.68 116.50 1pkt s LEU 30 Ca 0.53 -0.39 -0.07 0.00 0.06 0.00 0.00 54.13 54.26 1pkt s LEU 30 Cb -0.10 -0.01 0.16 0.00 -0.56 0.00 0.00 46.19 45.68 1pkt s LEU 30 CO 0.43 -0.20 0.48 -0.89 -1.06 0.00 0.00 176.35 175.11 1pkt s THR 31 N -1.08 4.25 -0.56 5.48 2.01 -0.12 -2.05 115.64 123.58 1pkt s THR 31 Ca -0.10 -2.52 -0.20 0.00 0.31 0.00 0.00 61.69 59.18 1pkt s THR 31 Cb -0.08 -3.74 0.07 0.00 0.01 0.00 0.00 72.50 68.77 1pkt s THR 31 CO -0.00 -0.88 0.72 -0.69 -0.69 0.00 0.00 174.62 173.08 1pkt s VAL 32 N 0.40 4.74 0.31 3.82 1.01 -1.02 -1.61 120.40 128.04 1pkt s VAL 32 Ca 0.14 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 1pkt s VAL 32 Cb -0.19 -4.43 -0.13 0.00 0.00 0.00 0.00 36.38 31.63 1pkt s VAL 32 CO -0.04 -1.02 1.28 -3.20 0.00 0.00 0.00 175.10 172.12 1pkt n ASN 33 N 6.54 2.55 -4.74 3.32 4.05 -1.26 -1.29 115.26 124.43 1pkt n ASN 33 Ca -0.06 1.19 -0.39 0.00 0.45 0.00 0.00 54.58 55.76 1pkt n ASN 33 Cb 0.45 -1.44 0.03 0.00 1.23 0.00 0.00 39.78 40.04 1pkt n ASN 33 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1pkt n LYS 34 N 0.94 1.89 0.00 1.20 2.85 -1.26 -2.94 118.16 120.84 1pkt n LYS 34 Ca 0.07 0.68 0.00 0.00 -1.05 0.00 0.00 58.31 58.01 1pkt n LYS 34 Cb 0.34 -2.54 0.00 0.00 -0.65 0.00 0.00 35.03 32.18 1pkt n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pkt n GLY 35 N 0.73 2.79 0.47 2.58 0.00 -1.26 -4.78 105.19 105.72 1pkt n GLY 35 Ca 0.08 -0.70 0.26 0.00 0.00 0.00 0.00 46.02 45.67 1pkt n GLY 35 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pkt h SER 36 N 0.00 0.00 0.18 1.61 4.64 -1.90 0.89 113.55 118.97 1pkt h SER 36 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1pkt h SER 36 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1pkt h SER 36 CO 0.00 0.00 -1.68 0.25 -0.87 0.00 0.00 176.83 174.53 1pkt h LEU 37 N 0.00 0.60 0.00 5.97 5.85 -1.87 -3.25 115.31 122.61 1pkt h LEU 37 Ca 0.38 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1pkt h LEU 37 Cb 2.07 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1pkt h LEU 37 CO -0.00 1.76 0.00 0.52 -0.34 0.00 0.00 178.44 180.38 1pkt n VAL 38 N -3.65 0.44 -0.32 1.05 0.31 0.29 -3.20 118.33 113.24 1pkt n VAL 38 Ca -0.24 0.11 0.36 0.00 -0.01 0.00 0.00 64.34 64.55 1pkt n VAL 38 Cb 1.05 -0.84 0.73 0.00 -0.91 0.00 0.00 33.84 33.87 1pkt n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pkt h ALA 39 N 2.83 3.11 0.00 3.52 0.00 -0.96 0.93 119.26 128.69 1pkt h ALA 39 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1pkt h ALA 39 Cb 0.13 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pkt h ALA 39 CO 0.00 -1.56 -0.23 1.25 0.00 0.00 0.00 179.25 178.72 1pkt h LEU 40 N 0.00 0.00 0.00 0.00 5.85 -1.83 -3.49 115.31 115.84 1pkt h LEU 40 Ca 0.57 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1pkt h LEU 40 Cb 2.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.47 1pkt h LEU 40 CO -0.01 0.85 0.00 0.61 -0.34 0.00 0.00 178.44 179.55 1pkt n GLY 41 N 1.65 1.95 0.09 3.75 0.00 0.32 -5.05 105.19 107.90 1pkt n GLY 41 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 1pkt n GLY 41 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1pkt h PHE 42 N 0.00 -0.24 -2.14 1.61 0.04 -1.86 -3.45 116.94 110.90 1pkt h PHE 42 Ca 0.00 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1pkt h PHE 42 Cb 0.00 0.09 -0.22 0.00 2.20 0.00 0.00 35.95 38.02 1pkt h PHE 42 CO 0.00 -0.12 -0.04 0.45 -0.60 0.00 0.00 178.31 178.00 1pkt s SER 43 N -2.52 -0.84 -0.10 2.17 0.15 -1.26 -5.08 113.70 106.22 1pkt s SER 43 Ca -0.03 1.38 -0.29 0.00 0.70 0.00 0.00 55.95 57.70 1pkt s SER 43 Cb 0.01 1.27 -0.05 0.00 -1.71 0.00 0.00 66.02 65.53 1pkt s SER 43 CO 0.10 -0.23 1.73 -0.62 1.20 0.00 0.00 173.24 175.43 1pkt s ASP 44 N 1.48 6.47 0.00 5.45 -1.08 -1.26 -1.56 116.67 126.16 1pkt s ASP 44 Ca -0.09 2.12 0.00 0.00 -0.52 0.00 0.00 52.55 54.06 1pkt s ASP 44 Cb -0.06 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1pkt s ASP 44 CO -0.17 -1.11 0.00 0.61 0.52 0.00 0.00 175.17 175.02 1pkt n GLY 45 N 4.45 0.45 1.43 2.66 0.00 -1.26 -4.95 105.19 107.97 1pkt n GLY 45 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1pkt n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pkt n GLN 46 N -1.92 1.41 -0.38 1.61 7.27 -0.60 -4.22 117.38 120.54 1pkt n GLN 46 Ca 0.00 -0.97 0.02 0.00 0.07 0.00 0.00 57.00 56.12 1pkt n GLN 46 Cb 0.00 -1.38 0.16 0.00 2.41 0.00 0.00 30.24 31.43 1pkt n GLN 46 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1pkt n GLU 47 N 0.04 2.55 -0.02 3.69 1.02 -1.26 -3.65 120.64 123.01 1pkt n GLU 47 Ca 0.19 -1.29 0.05 0.00 -0.02 0.00 0.00 57.16 56.10 1pkt n GLU 47 Cb 0.85 -1.80 -0.12 0.00 -0.02 0.00 0.00 31.44 30.34 1pkt n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pkt n ALA 48 N 0.23 2.42 -3.73 0.62 0.00 -1.26 -4.73 120.51 114.07 1pkt n ALA 48 Ca 0.12 -0.49 -0.34 0.00 0.00 0.00 0.00 53.44 52.73 1pkt n ALA 48 Cb 0.66 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 1pkt n ALA 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pkt s ARG 49 N -2.98 2.92 0.09 0.00 0.52 -1.24 -4.09 118.95 114.16 1pkt s ARG 49 Ca -0.06 -3.18 -0.27 0.00 -0.52 0.00 0.00 55.73 51.70 1pkt s ARG 49 Cb 0.09 -3.76 -0.16 0.00 0.52 0.00 0.00 34.95 31.64 1pkt s ARG 49 CO 0.66 -1.25 1.69 -1.35 0.02 0.00 0.00 175.30 175.07 1pkt h PRO 50 N 5.99 -0.33 -1.14 3.54 0.11 -1.85 -1.70 132.00 136.63 1pkt h PRO 50 Ca 0.12 0.02 0.33 0.00 0.11 0.00 0.00 66.00 66.59 1pkt h PRO 50 Cb 0.82 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 1pkt h PRO 50 CO 0.79 -0.22 1.01 1.05 -0.21 0.00 0.00 178.00 180.42 1pkt h GLU 51 N -0.35 0.00 -1.59 1.05 4.11 -1.79 0.55 114.58 116.57 1pkt h GLU 51 Ca -0.03 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.70 1pkt h GLU 51 Cb 0.28 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.21 1pkt h GLU 51 CO 0.04 0.00 0.53 0.39 0.07 0.00 0.00 179.01 180.04 1pkt n GLU 52 N -3.71 2.94 0.00 1.06 1.02 -0.64 -4.52 120.64 116.79 1pkt n GLU 52 Ca 0.25 -3.72 0.00 0.00 -0.02 0.00 0.00 57.16 53.67 1pkt n GLU 52 Cb 1.37 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1pkt n ILE 53 N -0.62 0.00 0.00 -3.67 5.41 0.19 -4.97 119.36 115.70 1pkt n ILE 53 Ca 0.52 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.27 1pkt n ILE 53 Cb 0.47 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 1pkt n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pkt n GLY 54 N 0.87 2.21 3.10 7.39 0.00 -1.20 -5.04 105.19 112.52 1pkt n GLY 54 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1pkt n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pkt s TRP 55 N 0.00 0.15 0.02 1.61 0.52 -1.26 -2.03 118.94 117.94 1pkt s TRP 55 Ca 0.00 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.77 1pkt s TRP 55 Cb 0.00 -0.11 -0.01 0.00 -1.15 0.00 0.00 33.47 32.20 1pkt s TRP 55 CO 0.00 -0.32 -0.06 -0.51 0.02 0.00 0.00 176.95 176.07 1pkt s LEU 56 N -1.80 2.12 -0.37 2.99 1.02 -0.53 -4.84 118.68 117.27 1pkt s LEU 56 Ca -0.10 -0.29 -0.06 0.00 0.02 0.00 0.00 54.13 53.71 1pkt s LEU 56 Cb -0.04 -0.23 0.07 0.00 0.02 0.00 0.00 46.19 46.01 1pkt s LEU 56 CO -0.02 -0.05 0.16 0.21 0.02 0.00 0.00 176.35 176.67 1pkt s ASN 57 N -0.75 5.33 0.00 2.29 3.84 -1.26 -1.41 114.94 122.99 1pkt s ASN 57 Ca -0.03 -1.47 0.00 0.00 0.21 0.00 0.00 52.86 51.57 1pkt s ASN 57 Cb -0.05 -1.87 0.00 0.00 -0.55 0.00 0.00 41.25 38.78 1pkt s ASN 57 CO 0.00 -0.43 0.00 0.61 -2.79 0.00 0.00 177.10 174.49 1pkt n GLY 58 N 4.76 5.39 3.01 1.21 0.00 -0.76 -4.41 105.19 114.39 1pkt n GLY 58 Ca -0.10 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1pkt n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pkt s TYR 59 N -0.77 3.30 -0.95 1.61 5.04 -0.64 -2.55 117.35 122.39 1pkt s TYR 59 Ca 0.00 -2.54 -0.24 0.00 -2.44 0.00 0.00 57.07 51.85 1pkt s TYR 59 Cb 0.00 -2.34 0.02 0.00 0.35 0.00 0.00 41.96 39.99 1pkt s TYR 59 CO 0.00 -0.90 1.58 -0.80 -1.34 0.00 0.00 175.55 174.09 1pkt s ASN 60 N 1.08 6.08 0.36 4.32 0.01 -0.03 -0.94 114.94 125.81 1pkt s ASN 60 Ca 0.02 -1.11 0.10 0.00 -0.71 0.00 0.00 52.86 51.15 1pkt s ASN 60 Cb -0.19 -2.57 0.84 0.00 0.41 0.00 0.00 41.25 39.74 1pkt s ASN 60 CO -0.08 -1.88 1.85 -0.33 -1.51 0.00 0.00 177.10 175.15 1pkt h GLU 61 N 10.37 0.65 -0.69 -0.60 5.08 -1.83 1.18 114.58 128.74 1pkt h GLU 61 Ca 0.12 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.57 1pkt h GLU 61 Cb 1.02 -0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.03 1pkt h GLU 61 CO 1.35 0.43 0.23 1.15 -1.00 0.00 0.00 179.01 181.17 1pkt h THR 62 N 0.67 0.66 -0.46 1.13 2.02 -1.87 -0.97 112.91 114.09 1pkt h THR 62 Ca 0.47 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.52 1pkt h THR 62 Cb 0.81 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1pkt h THR 62 CO -0.23 0.07 0.00 1.07 0.37 0.00 0.00 175.52 176.80 1pkt n THR 63 N -5.05 0.96 -4.09 3.16 5.66 -0.25 -4.97 114.28 109.69 1pkt n THR 63 Ca 0.12 -0.98 -0.33 0.00 -3.05 0.00 0.00 64.05 59.81 1pkt n THR 63 Cb 0.37 0.54 -0.03 0.00 -1.55 0.00 0.00 70.33 69.65 1pkt n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pkt n GLY 64 N 0.89 -0.42 3.21 1.09 0.00 0.39 -4.94 105.19 105.41 1pkt n GLY 64 Ca 0.16 0.24 -0.19 0.00 0.00 0.00 0.00 46.02 46.23 1pkt n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pkt s GLU 65 N -7.01 0.94 -0.12 1.61 0.41 -0.99 -4.96 118.70 108.57 1pkt s GLU 65 Ca 0.18 -1.09 0.02 0.00 -0.41 0.00 0.00 54.97 53.66 1pkt s GLU 65 Cb -0.09 -0.92 0.01 0.00 -1.78 0.00 0.00 34.13 31.35 1pkt s GLU 65 CO 0.95 0.20 -0.17 0.50 -0.49 0.00 0.00 175.26 176.24 1pkt s ARG 66 N -2.13 2.50 0.00 1.61 6.06 -1.26 -0.85 118.95 124.88 1pkt s ARG 66 Ca 0.03 -0.66 0.00 0.00 -2.50 0.00 0.00 55.73 52.60 1pkt s ARG 66 Cb -0.08 -2.09 0.00 0.00 0.06 0.00 0.00 34.95 32.84 1pkt s ARG 66 CO 0.03 -0.06 0.00 0.41 -2.50 0.00 0.00 175.30 173.18 1pkt n GLY 67 N 4.19 0.57 3.91 8.12 0.00 -1.06 -4.84 105.19 116.08 1pkt n GLY 67 Ca -0.19 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 1pkt n GLY 67 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pkt s ASP 68 N 0.01 5.43 -0.02 1.61 -4.77 -0.69 -1.83 116.67 116.41 1pkt s ASP 68 Ca 0.00 -0.48 -0.29 0.00 -3.30 0.00 0.00 52.55 48.48 1pkt s ASP 68 Cb 0.00 -0.89 0.11 0.00 -1.09 0.00 0.00 42.92 41.05 1pkt s ASP 68 CO 0.00 -0.50 0.92 0.72 0.70 0.00 0.00 175.17 177.01 1pkt s PHE 69 N -2.32 -0.32 0.18 2.11 -0.71 -0.50 -2.01 117.98 114.41 1pkt s PHE 69 Ca 0.45 0.20 -0.32 0.00 -1.04 0.00 0.00 56.93 56.22 1pkt s PHE 69 Cb -0.07 0.54 -0.12 0.00 -1.21 0.00 0.00 43.02 42.16 1pkt s PHE 69 CO 0.29 -0.51 1.76 -2.30 -1.34 0.00 0.00 175.22 173.11 1pkt n PRO 70 N -0.23 2.79 0.02 1.99 -0.02 -1.26 -1.45 135.00 136.84 1pkt n PRO 70 Ca -0.08 1.01 -0.10 0.00 -2.02 0.00 0.00 63.50 62.31 1pkt n PRO 70 Cb 0.61 -2.87 0.03 0.00 -0.02 0.00 0.00 33.50 31.25 1pkt n PRO 70 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1pkt h GLY 71 N 7.31 0.59 1.98 -1.23 0.00 -1.64 -2.55 103.07 107.53 1pkt h GLY 71 Ca -0.44 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.15 1pkt h GLY 71 CO 0.96 0.66 0.00 -1.30 0.00 0.00 0.00 176.54 176.86 1pkt n THR 72 N -3.92 1.49 -0.28 4.70 -2.24 -1.26 -1.24 114.28 111.53 1pkt n THR 72 Ca -0.04 0.37 0.08 0.00 -2.27 0.00 0.00 64.05 62.19 1pkt n THR 72 Cb 0.65 -1.25 0.31 0.00 -2.10 0.00 0.00 70.33 67.94 1pkt n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pkt n TYR 73 N -1.49 1.31 -4.23 4.78 4.02 -0.96 -4.85 117.16 115.74 1pkt n TYR 73 Ca 0.02 -0.51 -0.16 0.00 -0.01 0.00 0.00 57.90 57.24 1pkt n TYR 73 Cb 0.08 -0.24 -0.06 0.00 -0.02 0.00 0.00 39.34 39.10 1pkt n TYR 73 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1pkt n VAL 74 N 0.88 0.00 -3.25 -0.72 0.24 -0.38 -1.02 118.33 114.08 1pkt n VAL 74 Ca 0.22 -1.94 -0.04 0.00 -2.04 0.00 0.00 64.34 60.53 1pkt n VAL 74 Cb 0.80 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 34.10 1pkt n VAL 74 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1pkt s GLU 75 N -3.09 0.77 0.05 7.34 -1.05 -0.55 -4.66 118.70 117.52 1pkt s GLU 75 Ca 0.31 -0.46 -0.31 0.00 -0.15 0.00 0.00 54.97 54.37 1pkt s GLU 75 Cb 0.02 -0.15 -0.16 0.00 -0.44 0.00 0.00 34.13 33.39 1pkt s GLU 75 CO 0.22 -1.19 0.77 0.98 0.95 0.00 0.00 175.26 176.99 1pkt n TYR 76 N 4.34 0.26 0.02 4.83 9.36 -1.26 -2.42 117.16 132.29 1pkt n TYR 76 Ca 0.11 0.87 0.00 0.00 3.32 0.00 0.00 57.90 62.21 1pkt n TYR 76 Cb 0.53 -1.73 -0.01 0.00 -0.63 0.00 0.00 39.34 37.50 1pkt n TYR 76 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1pkt n ILE 77 N 0.90 0.00 0.00 2.97 -0.00 -1.01 -4.79 119.36 117.43 1pkt n ILE 77 Ca 0.16 -0.22 0.00 0.00 -0.00 0.00 0.00 62.75 62.69 1pkt n ILE 77 Cb 0.11 0.71 0.00 0.00 -0.00 0.00 0.00 39.64 40.46 1pkt n ILE 77 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1pkt n GLY 78 N 1.81 0.27 0.18 7.39 0.00 -1.13 -5.06 105.19 108.65 1pkt n GLY 78 Ca -0.00 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 44.95 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36