#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpp s GLU 8 N 0.00 2.85 0.41 0.00 -1.05 -1.26 -5.01 118.70 114.64 1xpp s GLU 8 Ca 0.00 1.78 -0.25 0.00 -0.15 0.00 0.00 54.97 56.36 1xpp s GLU 8 Cb 0.00 -1.92 -0.08 0.00 -0.44 0.00 0.00 34.13 31.69 1xpp s GLU 8 CO 0.00 -1.29 1.15 -1.12 0.95 0.00 0.00 175.26 174.95 1xpp s SER 9 N -1.73 6.51 0.34 0.83 0.01 -1.26 -4.72 113.70 113.69 1xpp s SER 9 Ca 0.76 2.29 -0.07 0.00 1.31 0.00 0.00 55.95 60.24 1xpp s SER 9 Cb -0.29 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.34 1xpp s SER 9 CO 0.35 -0.68 0.54 -0.94 0.41 0.00 0.00 173.24 172.93 1xpp s SER 10 N -1.23 0.54 0.04 2.44 1.04 -0.08 -5.02 113.70 111.43 1xpp s SER 10 Ca 0.58 -1.31 -0.23 0.00 0.48 0.00 0.00 55.95 55.46 1xpp s SER 10 Cb -0.29 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.58 1xpp s SER 10 CO 0.36 -1.36 0.54 -1.48 0.98 0.00 0.00 173.24 172.29 1xpp s LEU 11 N -3.16 -0.16 -0.10 2.42 0.05 -1.26 -0.64 118.68 115.82 1xpp s LEU 11 Ca 0.26 0.25 -0.05 0.00 0.05 0.00 0.00 54.13 54.64 1xpp s LEU 11 Cb -0.01 2.19 0.05 0.00 -2.05 0.00 0.00 46.19 46.37 1xpp s LEU 11 CO 0.16 -0.71 0.23 -0.13 -0.55 0.00 0.00 176.35 175.35 1xpp s ARG 12 N -2.29 0.15 0.25 1.48 0.52 -0.69 -4.98 118.95 113.39 1xpp s ARG 12 Ca -0.06 0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 55.42 1xpp s ARG 12 Cb -0.01 -0.12 -0.11 0.00 0.52 0.00 0.00 34.95 35.23 1xpp s ARG 12 CO -0.00 -0.21 1.52 0.08 0.02 0.00 0.00 175.30 176.70 1xpp s VAL 13 N 1.69 2.45 -0.20 3.52 1.01 -1.26 0.23 120.40 127.84 1xpp s VAL 13 Ca -0.05 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1xpp s VAL 13 Cb -0.11 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 1xpp s VAL 13 CO -0.08 0.05 -0.22 -0.38 0.00 0.00 0.00 175.10 174.48 1xpp n ILE 14 N 2.64 1.11 -3.79 2.22 2.08 0.10 -4.85 119.36 118.86 1xpp n ILE 14 Ca 0.09 -0.35 -0.10 0.00 0.56 0.00 0.00 62.75 62.95 1xpp n ILE 14 Cb 0.39 -1.48 -0.05 0.00 -0.75 0.00 0.00 39.64 37.75 1xpp n ILE 14 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1xpp s SER 15 N -6.35 -0.16 -0.11 4.38 1.04 -1.16 -5.03 113.70 106.31 1xpp s SER 15 Ca -0.27 -0.58 -0.07 0.00 0.48 0.00 0.00 55.95 55.52 1xpp s SER 15 Cb 0.09 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.77 1xpp s SER 15 CO 0.40 -0.98 0.26 -0.75 0.98 0.00 0.00 173.24 173.15 1xpp s LYS 16 N -3.89 0.25 -0.18 4.02 2.47 -1.26 -0.98 119.74 120.16 1xpp s LYS 16 Ca 0.11 0.48 -0.10 0.00 -1.56 0.00 0.00 55.97 54.90 1xpp s LYS 16 Cb 0.01 -0.03 0.06 0.00 -1.46 0.00 0.00 37.83 36.41 1xpp s LYS 16 CO -0.03 -0.12 0.44 -1.21 0.16 0.00 0.00 175.35 174.58 1xpp s GLU 17 N 0.89 0.43 0.00 4.03 2.02 -0.74 -5.03 118.70 120.30 1xpp s GLU 17 Ca -0.06 0.82 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1xpp s GLU 17 Cb -0.07 0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.16 1xpp s GLU 17 CO -0.06 -0.15 0.00 1.17 0.02 0.00 0.00 175.26 176.24 1xpp n LYS 18 N 4.20 0.00 -0.55 1.61 4.81 -1.26 0.94 118.16 127.91 1xpp n LYS 18 Ca -0.23 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.25 1xpp n LYS 18 Cb 0.56 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.81 1xpp n LYS 18 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xpp n ASN 19 N 0.00 2.43 -3.89 3.14 3.02 -1.26 -4.79 115.26 113.91 1xpp n ASN 19 Ca 0.00 -3.58 -0.11 0.00 -0.03 0.00 0.00 54.58 50.87 1xpp n ASN 19 Cb 0.00 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 38.52 1xpp n ASN 19 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1xpp s SER 20 N -2.72 0.07 0.02 6.41 1.04 0.27 -0.18 113.70 118.61 1xpp s SER 20 Ca 0.40 -0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 1xpp s SER 20 Cb 0.36 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1xpp s SER 20 CO -0.00 -0.39 0.05 -0.51 0.98 0.00 0.00 173.24 173.37 1xpp s ILE 21 N -1.58 0.11 -0.10 -1.02 -1.16 -0.28 -1.80 121.20 115.37 1xpp s ILE 21 Ca -0.13 -0.92 0.01 0.00 -0.51 0.00 0.00 60.65 59.10 1xpp s ILE 21 Cb -0.07 -0.51 0.02 0.00 0.61 0.00 0.00 42.46 42.51 1xpp s ILE 21 CO 0.00 -0.50 -0.11 -0.89 -2.81 0.00 0.00 174.94 170.63 1xpp s THR 22 N -1.79 1.20 -0.09 4.00 2.01 -0.15 -1.46 115.64 119.36 1xpp s THR 22 Ca -0.12 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1xpp s THR 22 Cb -0.06 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.31 1xpp s THR 22 CO -0.01 0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 1xpp s VAL 23 N 1.25 1.32 -0.17 3.82 1.01 0.19 0.00 120.40 127.84 1xpp s VAL 23 Ca -0.03 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 1xpp s VAL 23 Cb -0.14 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1xpp s VAL 23 CO -0.04 0.40 1.06 -0.70 0.00 0.00 0.00 175.10 175.82 1xpp s GLU 24 N 0.86 4.32 -0.29 2.72 2.12 0.14 -0.20 118.70 128.36 1xpp s GLU 24 Ca -0.10 1.42 -0.10 0.00 0.36 0.00 0.00 54.97 56.55 1xpp s GLU 24 Cb -0.15 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 1xpp s GLU 24 CO 0.01 -0.51 0.15 -1.64 -0.54 0.00 0.00 175.26 172.73 1xpp s MET 25 N 2.73 3.52 -0.18 4.30 -1.94 0.23 -1.70 119.30 126.25 1xpp s MET 25 Ca 0.47 -0.60 -0.02 0.00 -1.71 0.00 0.00 55.69 53.84 1xpp s MET 25 Cb -0.17 -3.55 -0.01 0.00 2.01 0.00 0.00 34.83 33.11 1xpp s MET 25 CO 0.12 -0.33 -0.10 0.42 -0.01 0.00 0.00 175.02 175.12 1xpp s ILE 26 N 1.65 3.09 -1.48 2.53 1.01 0.19 -3.78 121.20 124.40 1xpp s ILE 26 Ca 0.05 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 1xpp s ILE 26 Cb -0.16 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.96 1xpp s ILE 26 CO 0.07 0.48 0.85 0.59 0.00 0.00 0.00 174.94 176.92 1xpp n ASN 27 N 4.23 -6.23 -4.89 3.58 5.03 -1.26 -0.90 115.26 114.82 1xpp n ASN 27 Ca -0.18 -0.40 -0.34 0.00 0.87 0.00 0.00 54.58 54.53 1xpp n ASN 27 Cb 0.51 -4.98 -0.05 0.00 -1.02 0.00 0.00 39.78 34.24 1xpp n ASN 27 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1xpp s TYR 28 N -3.24 3.56 0.27 3.10 1.51 -1.26 -4.26 117.35 117.03 1xpp s TYR 28 Ca 0.42 0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 56.76 1xpp s TYR 28 Cb -0.19 -2.00 -0.10 0.00 -0.11 0.00 0.00 41.96 39.56 1xpp s TYR 28 CO 0.52 0.57 1.45 0.34 -1.11 0.00 0.00 175.55 177.32 1xpp s ASP 29 N -1.87 6.62 0.42 2.29 -1.08 -1.26 -4.91 116.67 116.87 1xpp s ASP 29 Ca 0.31 2.71 0.09 0.00 -0.52 0.00 0.00 52.55 55.15 1xpp s ASP 29 Cb -0.13 -2.63 0.92 0.00 -1.46 0.00 0.00 42.92 39.62 1xpp s ASP 29 CO 0.18 -0.72 2.03 0.78 0.52 0.00 0.00 175.17 177.96 1xpp h ASN 30 N 4.80 0.44 -0.63 -0.34 4.21 -1.99 -1.64 115.58 120.43 1xpp h ASN 30 Ca -0.46 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.03 1xpp h ASN 30 Cb 1.22 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 38.29 1xpp h ASN 30 CO 0.76 0.30 0.34 0.74 -1.29 0.00 0.00 177.43 178.28 1xpp h THR 31 N 0.51 1.20 -0.43 2.81 2.02 -1.99 -0.26 112.91 116.76 1xpp h THR 31 Ca 0.20 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1xpp h THR 31 Cb 0.17 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1xpp h THR 31 CO -0.05 0.22 0.27 0.25 0.37 0.00 0.00 175.52 176.58 1xpp h LEU 32 N 0.86 0.51 -0.97 2.58 6.46 -1.71 -1.35 115.31 121.69 1xpp h LEU 32 Ca 0.22 -0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.86 1xpp h LEU 32 Cb 0.05 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 1xpp h LEU 32 CO -0.03 0.40 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.96 1xpp h LEU 33 N 0.57 0.56 -0.28 2.25 3.38 -0.94 -0.87 115.31 119.98 1xpp h LEU 33 Ca 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1xpp h LEU 33 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1xpp h LEU 33 CO -0.03 0.74 0.01 -0.09 0.09 0.00 0.00 178.44 179.16 1xpp h ARG 34 N 0.52 0.49 -0.70 1.13 2.43 -0.83 -2.39 114.38 115.03 1xpp h ARG 34 Ca 0.09 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1xpp h ARG 34 Cb 0.57 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1xpp h ARG 34 CO 0.04 0.63 0.36 1.79 -1.51 0.00 0.00 179.97 181.28 1xpp h THR 35 N 0.29 1.21 0.13 0.20 1.35 -0.93 -1.36 112.91 113.81 1xpp h THR 35 Ca 0.08 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1xpp h THR 35 Cb 0.40 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.10 1xpp h THR 35 CO 0.01 0.24 -0.11 0.25 -0.25 0.00 0.00 175.52 175.66 1xpp h LEU 36 N 0.97 -0.30 -0.53 3.87 5.85 -1.01 -0.70 115.31 123.47 1xpp h LEU 36 Ca 0.24 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 1xpp h LEU 36 Cb 0.05 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1xpp h LEU 36 CO -0.04 -0.18 -0.24 -0.37 -0.34 0.00 0.00 178.44 177.27 1xpp h VAL 37 N -0.26 1.27 -0.98 1.05 -1.51 -1.18 -1.52 116.25 113.13 1xpp h VAL 37 Ca 0.00 -1.40 0.07 0.00 -1.23 0.00 0.00 66.70 64.14 1xpp h VAL 37 Cb 0.24 1.18 -0.07 0.00 -2.13 0.00 0.00 31.29 30.52 1xpp h VAL 37 CO -0.02 0.48 0.63 -0.33 -1.23 0.00 0.00 177.57 177.10 1xpp h GLU 38 N 0.80 1.09 -0.10 5.19 5.08 -1.10 -0.43 114.58 125.11 1xpp h GLU 38 Ca 0.10 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1xpp h GLU 38 Cb 0.81 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1xpp h GLU 38 CO 0.07 0.72 -0.07 1.49 -1.00 0.00 0.00 179.01 180.22 1xpp h GLU 39 N 1.12 0.22 -0.84 2.33 4.57 -0.85 -2.81 114.58 118.33 1xpp h GLU 39 Ca 0.42 -0.11 0.12 0.00 -1.18 0.00 0.00 59.36 58.62 1xpp h GLU 39 Cb 0.20 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.72 1xpp h GLU 39 CO -0.17 0.61 0.54 0.82 -1.18 0.00 0.00 179.01 179.63 1xpp h ILE 40 N -0.17 0.88 0.00 2.32 2.04 -0.98 -2.04 117.51 119.56 1xpp h ILE 40 Ca 0.02 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1xpp h ILE 40 Cb 0.56 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1xpp h ILE 40 CO 0.02 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.47 1xpp n LEU 41 N -4.53 0.33 0.14 1.44 4.77 -0.20 -1.58 117.00 117.36 1xpp n LEU 41 Ca 0.15 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.85 1xpp n LEU 41 Cb 0.42 -0.55 0.36 0.00 -2.33 0.00 0.00 43.42 41.31 1xpp n LEU 41 CO 0.31 -0.45 0.87 0.11 -1.33 0.00 0.00 177.39 176.90 1xpp h LYS 42 N 0.00 0.00 -6.07 3.23 1.57 -1.32 -3.45 116.57 110.53 1xpp h LYS 42 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1xpp h LYS 42 Cb 0.27 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 1xpp h LYS 42 CO 0.00 0.00 0.65 0.34 -0.57 0.00 0.00 179.45 179.87 1xpp s ASP 43 N -4.93 7.08 0.30 0.86 -1.08 -0.62 -4.94 116.67 113.34 1xpp s ASP 43 Ca 0.09 1.35 0.24 0.00 -0.52 0.00 0.00 52.55 53.71 1xpp s ASP 43 Cb 0.10 -2.52 1.07 0.00 -1.46 0.00 0.00 42.92 40.11 1xpp s ASP 43 CO 0.60 -0.56 1.73 0.44 0.52 0.00 0.00 175.17 177.91 1xpp h ASP 44 N 7.38 0.00 -0.16 -0.34 5.19 -1.88 -2.39 116.42 124.23 1xpp h ASP 44 Ca -0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1xpp h ASP 44 Cb 1.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1xpp h ASP 44 CO 0.92 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 177.04 1xpp n GLN 45 N -2.32 1.70 -3.82 3.56 6.02 -1.26 -4.84 117.38 116.41 1xpp n GLN 45 Ca 0.01 -1.05 -0.36 0.00 -0.01 0.00 0.00 57.00 55.60 1xpp n GLN 45 Cb 0.20 -1.39 -0.10 0.00 1.02 0.00 0.00 30.24 29.97 1xpp n GLN 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xpp s VAL 46 N -1.80 5.00 -0.10 5.09 1.01 -0.90 -0.83 120.40 127.88 1xpp s VAL 46 Ca 0.32 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1xpp s VAL 46 Cb 0.17 -3.30 -0.28 0.00 0.00 0.00 0.00 36.38 32.98 1xpp s VAL 46 CO 0.26 0.40 0.49 -0.78 0.00 0.00 0.00 175.10 175.47 1xpp h ASP 47 N 7.21 0.46 -4.13 3.32 3.58 -1.11 -3.46 116.42 122.30 1xpp h ASP 47 Ca -0.38 -0.91 -0.13 0.00 0.42 0.00 0.00 57.03 56.03 1xpp h ASP 47 Cb 1.17 -0.15 -0.23 0.00 1.72 0.00 0.00 39.33 41.83 1xpp h ASP 47 CO 0.67 1.78 -0.29 -0.70 -2.88 0.00 0.00 179.24 177.82 1xpp s GLU 48 N -2.54 0.47 -0.13 0.28 2.12 -0.85 -4.99 118.70 113.06 1xpp s GLU 48 Ca -0.20 0.33 -0.05 0.00 0.36 0.00 0.00 54.97 55.41 1xpp s GLU 48 Cb 0.06 0.22 0.07 0.00 0.26 0.00 0.00 34.13 34.74 1xpp s GLU 48 CO 0.79 -0.08 0.28 0.00 -0.54 0.00 0.00 175.26 175.70 1xpp s ALA 49 N -0.17 -0.61 0.20 6.30 0.00 -1.26 -0.88 121.76 125.34 1xpp s ALA 49 Ca -0.03 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 52.68 1xpp s ALA 49 Cb -0.03 -1.02 0.05 0.00 0.00 0.00 0.00 23.12 22.12 1xpp s ALA 49 CO 0.01 -0.62 0.89 -0.98 0.00 0.00 0.00 175.76 175.06 1xpp s ARG 50 N 2.37 1.39 0.07 0.00 1.70 -0.64 -4.95 118.95 118.89 1xpp s ARG 50 Ca 0.00 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.49 1xpp s ARG 50 Cb -0.12 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1xpp s ARG 50 CO -0.09 -0.64 0.21 0.71 -1.08 0.00 0.00 175.30 174.41 1xpp s TYR 51 N -3.46 3.50 0.12 5.89 1.51 -1.26 -0.55 117.35 123.10 1xpp s TYR 51 Ca 0.12 0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.45 1xpp s TYR 51 Cb -0.03 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1xpp s TYR 51 CO 0.04 0.58 -0.11 0.71 -1.11 0.00 0.00 175.55 175.66 1xpp s TYR 52 N -1.52 1.20 -0.14 2.71 1.51 0.05 -4.96 117.35 116.20 1xpp s TYR 52 Ca 0.35 -0.68 -0.23 0.00 -1.01 0.00 0.00 57.07 55.49 1xpp s TYR 52 Cb -0.13 -0.63 0.06 0.00 -0.11 0.00 0.00 41.96 41.15 1xpp s TYR 52 CO 0.28 0.06 0.58 -1.50 -1.11 0.00 0.00 175.55 173.86 1xpp s ILE 53 N -2.75 0.01 -0.09 2.71 2.07 -1.26 -0.89 121.20 120.99 1xpp s ILE 53 Ca 0.11 -0.07 -0.22 0.00 -1.41 0.00 0.00 60.65 59.06 1xpp s ILE 53 Cb -0.01 -0.85 -0.29 0.00 0.13 0.00 0.00 42.46 41.44 1xpp s ILE 53 CO 0.01 -0.04 0.75 0.11 -1.91 0.00 0.00 174.94 173.86 1xpp h LYS 54 N 4.34 0.22 -3.72 3.50 1.57 -1.97 -3.43 116.57 117.09 1xpp h LYS 54 Ca -0.28 -0.37 -0.63 0.00 -1.87 0.00 0.00 60.65 57.50 1xpp h LYS 54 Cb 1.16 0.14 -0.40 0.00 0.08 0.00 0.00 32.23 33.21 1xpp h LYS 54 CO 0.25 1.18 -0.70 -1.01 -0.57 0.00 0.00 179.45 178.59 1xpp s HIS 55 N -2.40 2.85 0.46 -1.35 3.76 -1.26 -5.03 115.29 112.32 1xpp s HIS 55 Ca -0.17 -2.72 0.26 0.00 -0.15 0.00 0.00 55.06 52.28 1xpp s HIS 55 Cb 0.01 -2.46 1.31 0.00 1.11 0.00 0.00 32.58 32.55 1xpp s HIS 55 CO 0.78 -0.84 1.79 -1.35 -0.85 0.00 0.00 174.74 174.27 1xpp h PRO 56 N 7.14 0.20 -0.01 8.40 0.11 -1.91 0.35 132.00 146.29 1xpp h PRO 56 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1xpp h PRO 56 Cb 0.96 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1xpp h PRO 56 CO 0.56 0.14 -0.27 1.33 -0.21 0.00 0.00 178.00 179.54 1xpp n VAL 57 N -4.43 0.00 -0.02 3.15 0.24 -1.26 -4.65 118.33 111.35 1xpp n VAL 57 Ca 0.25 -0.37 -0.03 0.00 -2.04 0.00 0.00 64.34 62.15 1xpp n VAL 57 Cb 1.02 1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 34.60 1xpp n VAL 57 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1xpp n ILE 58 N 0.09 0.25 -2.58 1.34 5.41 -0.63 -5.08 119.36 118.15 1xpp n ILE 58 Ca 0.07 -0.10 -0.22 0.00 1.00 0.00 0.00 62.75 63.50 1xpp n ILE 58 Cb 0.36 -0.69 0.06 0.00 -0.71 0.00 0.00 39.64 38.66 1xpp n ILE 58 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1xpp s ASP 59 N -4.30 4.98 0.07 4.38 1.01 0.02 -5.06 116.67 117.77 1xpp s ASP 59 Ca -0.05 -0.07 -0.12 0.00 0.71 0.00 0.00 52.55 53.02 1xpp s ASP 59 Cb 0.01 -0.65 -0.06 0.00 1.01 0.00 0.00 42.92 43.23 1xpp s ASP 59 CO 0.11 -1.38 0.42 0.20 0.21 0.00 0.00 175.17 174.72 1xpp s ASN 60 N -4.52 6.70 0.58 0.27 0.02 -1.26 -4.90 114.94 111.83 1xpp s ASN 60 Ca 0.60 0.87 -0.19 0.00 -1.02 0.00 0.00 52.86 53.12 1xpp s ASN 60 Cb -0.09 -2.21 -0.04 0.00 0.02 0.00 0.00 41.25 38.93 1xpp s ASN 60 CO 0.41 0.21 1.19 -2.16 0.02 0.00 0.00 177.10 176.77 1xpp s PRO 61 N -1.70 3.07 -0.15 -0.60 0.04 -1.25 -4.75 135.00 129.67 1xpp s PRO 61 Ca 0.31 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1xpp s PRO 61 Cb -0.15 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 1xpp s PRO 61 CO 0.17 -1.12 -0.15 -0.65 0.04 0.00 0.00 177.00 175.29 1xpp s GLN 62 N -3.30 3.25 0.13 4.56 -0.21 -0.07 -0.60 119.66 123.42 1xpp s GLN 62 Ca 0.76 -0.74 -0.26 0.00 0.02 0.00 0.00 55.36 55.15 1xpp s GLN 62 Cb -0.29 -2.62 -0.07 0.00 1.00 0.00 0.00 33.01 31.02 1xpp s GLN 62 CO 0.32 0.06 0.80 -1.50 -2.12 0.00 0.00 175.29 172.86 1xpp s ILE 63 N 0.71 4.47 -0.09 1.08 2.07 0.72 -0.77 121.20 129.39 1xpp s ILE 63 Ca -0.07 1.75 0.04 0.00 -1.41 0.00 0.00 60.65 60.96 1xpp s ILE 63 Cb -0.16 -4.16 -0.00 0.00 0.13 0.00 0.00 42.46 38.27 1xpp s ILE 63 CO 0.02 0.45 -0.23 -0.47 -1.91 0.00 0.00 174.94 172.80 1xpp s TYR 64 N -0.69 2.45 -0.06 3.50 5.04 0.28 -0.64 117.35 127.23 1xpp s TYR 64 Ca 0.38 -0.96 0.01 0.00 -2.44 0.00 0.00 57.07 54.06 1xpp s TYR 64 Cb -0.23 -1.64 0.02 0.00 0.35 0.00 0.00 41.96 40.47 1xpp s TYR 64 CO 0.26 -0.38 -0.05 0.08 -1.34 0.00 0.00 175.55 174.12 1xpp s VAL 65 N 0.30 0.66 -0.06 3.14 1.01 -0.54 -1.62 120.40 123.30 1xpp s VAL 65 Ca -0.17 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1xpp s VAL 65 Cb -0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1xpp s VAL 65 CO 0.08 0.27 -0.23 -0.60 0.00 0.00 0.00 175.10 174.62 1xpp s ARG 66 N 1.10 2.55 0.21 2.72 3.52 -0.06 -1.13 118.95 127.87 1xpp s ARG 66 Ca -0.08 -0.86 0.10 0.00 -0.13 0.00 0.00 55.73 54.76 1xpp s ARG 66 Cb -0.14 -2.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.99 1xpp s ARG 66 CO -0.01 0.42 -0.14 0.14 -0.81 0.00 0.00 175.30 174.91 1xpp s VAL 67 N -0.26 2.90 -0.11 7.11 -7.23 0.75 -0.55 120.40 123.02 1xpp s VAL 67 Ca -0.00 -1.90 -0.27 0.00 -1.81 0.00 0.00 61.98 57.99 1xpp s VAL 67 Cb -0.13 -2.45 -0.25 0.00 0.56 0.00 0.00 36.38 34.10 1xpp s VAL 67 CO 0.03 -0.19 0.87 0.11 -0.31 0.00 0.00 175.10 175.61 1xpp h LYS 68 N 2.77 0.05 -4.90 4.82 1.57 -1.31 -3.44 116.57 116.13 1xpp h LYS 68 Ca -0.45 -0.06 -0.35 0.00 -1.87 0.00 0.00 60.65 57.91 1xpp h LYS 68 Cb 1.22 0.02 -0.23 0.00 0.08 0.00 0.00 32.23 33.32 1xpp h LYS 68 CO 0.54 0.95 -0.76 -1.54 -0.57 0.00 0.00 179.45 178.07 1xpp s SER 69 N -6.23 1.22 0.00 0.86 1.04 -1.25 -5.11 113.70 104.23 1xpp s SER 69 Ca -0.18 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1xpp s SER 69 Cb -0.02 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1xpp s SER 69 CO 0.71 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.45 1xpp n GLY 70 N 1.72 -1.78 3.89 7.32 0.00 -1.26 -4.92 105.19 110.16 1xpp n GLY 70 Ca -0.20 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 1xpp n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpp s LYS 71 N 0.00 3.60 0.23 1.61 1.02 -1.26 -4.92 119.74 120.02 1xpp s LYS 71 Ca 0.00 -0.11 -0.02 0.00 0.02 0.00 0.00 55.97 55.85 1xpp s LYS 71 Cb 0.00 -2.95 0.25 0.00 -0.52 0.00 0.00 37.83 34.61 1xpp s LYS 71 CO 0.00 0.54 1.65 -1.00 -0.92 0.00 0.00 175.35 175.63 1xpp h PRO 72 N 3.24 0.68 -0.47 -1.68 0.13 -1.87 -2.87 132.00 129.16 1xpp h PRO 72 Ca -0.47 -0.27 0.08 0.00 -0.87 0.00 0.00 66.00 64.46 1xpp h PRO 72 Cb 1.17 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1xpp h PRO 72 CO 0.71 0.86 0.32 -0.56 -0.23 0.00 0.00 178.00 179.10 1xpp h GLN 73 N 0.59 0.31 -0.58 0.86 -0.00 -1.95 -1.83 115.11 112.51 1xpp h GLN 73 Ca 0.08 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.67 1xpp h GLN 73 Cb 0.73 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.48 28.11 1xpp h GLN 73 CO 0.06 0.20 0.18 0.77 -0.00 0.00 0.00 178.83 180.03 1xpp h SER 74 N 0.32 0.81 -0.39 0.06 0.02 -1.92 0.41 113.55 112.85 1xpp h SER 74 Ca 0.21 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 1xpp h SER 74 Cb 0.44 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1xpp h SER 74 CO -0.05 0.77 -0.24 0.00 -1.14 0.00 0.00 176.83 176.17 1xpp h ALA 75 N 1.34 0.75 0.11 3.77 0.00 -1.36 0.15 119.26 124.02 1xpp h ALA 75 Ca 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1xpp h ALA 75 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xpp h ALA 75 CO -0.01 0.66 -0.06 0.82 0.00 0.00 0.00 179.25 180.67 1xpp h ILE 76 N 0.78 1.03 -0.51 0.00 2.04 -1.13 -2.09 117.51 117.62 1xpp h ILE 76 Ca 0.10 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.48 1xpp h ILE 76 Cb 0.80 1.39 -0.10 0.00 -0.74 0.00 0.00 36.82 38.17 1xpp h ILE 76 CO 0.07 0.14 -0.16 0.11 0.00 0.00 0.00 178.15 178.31 1xpp h LYS 77 N -0.42 -0.03 -0.81 2.37 1.57 -0.77 -0.01 116.57 118.45 1xpp h LYS 77 Ca -0.02 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1xpp h LYS 77 Cb 0.35 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1xpp h LYS 77 CO 0.03 -0.02 0.54 0.00 -0.57 0.00 0.00 179.45 179.42 1xpp h ARG 78 N -0.03 1.04 -0.19 3.15 3.08 -0.61 -0.49 114.38 120.32 1xpp h ARG 78 Ca 0.25 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 1xpp h ARG 78 Cb 0.41 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1xpp h ARG 78 CO -0.55 0.69 -0.27 0.00 -1.07 0.00 0.00 179.97 178.77 1xpp h ALA 79 N 1.50 0.29 -0.40 0.04 0.00 -0.53 -2.05 119.26 118.12 1xpp h ALA 79 Ca 0.31 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1xpp h ALA 79 Cb -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xpp h ALA 79 CO -0.08 0.29 -0.15 0.28 0.00 0.00 0.00 179.25 179.59 1xpp h VAL 80 N 0.18 1.26 -0.22 0.00 2.07 -0.74 -1.37 116.25 117.43 1xpp h VAL 80 Ca 0.02 -1.20 -0.17 0.00 0.82 0.00 0.00 66.70 66.17 1xpp h VAL 80 Cb 0.85 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1xpp h VAL 80 CO 0.06 0.41 -0.55 -0.09 0.02 0.00 0.00 177.57 177.42 1xpp h ARG 81 N 0.66 0.66 -0.56 1.57 9.65 -1.06 0.28 114.38 125.58 1xpp h ARG 81 Ca 0.11 -0.42 -0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1xpp h ARG 81 Cb 0.62 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 1xpp h ARG 81 CO 0.04 1.04 0.35 0.87 2.80 0.00 0.00 179.97 185.07 1xpp h LYS 82 N 0.50 0.75 -0.27 0.20 1.57 -1.12 -0.73 116.57 117.48 1xpp h LYS 82 Ca 0.01 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1xpp h LYS 82 Cb 1.12 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1xpp h LYS 82 CO 0.11 0.53 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.21 1xpp h LEU 83 N 0.76 0.68 -0.68 2.94 3.38 -0.82 -0.14 115.31 121.42 1xpp h LEU 83 Ca 0.20 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1xpp h LEU 83 Cb -0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1xpp h LEU 83 CO -0.04 1.00 0.26 0.77 0.09 0.00 0.00 178.44 180.53 1xpp h SER 84 N 0.37 0.95 -0.53 -0.43 4.64 -0.90 -2.49 113.55 115.16 1xpp h SER 84 Ca 0.05 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 1xpp h SER 84 Cb 0.80 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 1xpp h SER 84 CO 0.06 0.87 0.11 0.50 -0.87 0.00 0.00 176.83 177.50 1xpp h LYS 85 N 0.97 0.92 -0.33 4.77 1.63 -0.91 -0.71 116.57 122.91 1xpp h LYS 85 Ca 0.23 -0.21 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 1xpp h LYS 85 Cb 0.22 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1xpp h LYS 85 CO -0.02 0.84 0.16 1.25 -3.45 0.00 0.00 179.45 178.24 1xpp h LEU 86 N 0.87 0.24 -0.19 5.20 5.85 -0.75 0.19 115.31 126.72 1xpp h LEU 86 Ca 0.18 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.72 1xpp h LEU 86 Cb 0.36 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1xpp h LEU 86 CO 0.01 0.18 -0.93 1.88 -0.34 0.00 0.00 178.44 179.23 1xpp h TYR 87 N 0.34 0.19 -0.51 1.25 0.05 -1.21 -0.89 116.97 116.17 1xpp h TYR 87 Ca 0.14 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1xpp h TYR 87 Cb 0.05 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1xpp h TYR 87 CO -0.10 0.98 0.29 0.93 -1.05 0.00 0.00 178.16 179.21 1xpp h GLU 88 N 0.06 0.70 -0.51 4.88 5.08 -0.87 -1.87 114.58 122.04 1xpp h GLU 88 Ca -0.04 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1xpp h GLU 88 Cb 1.60 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1xpp h GLU 88 CO 0.13 0.53 -0.18 -0.44 -1.00 0.00 0.00 179.01 178.06 1xpp h ASP 89 N 0.68 1.04 -1.00 1.42 3.32 -0.54 -2.02 116.42 119.32 1xpp h ASP 89 Ca 0.18 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 56.91 1xpp h ASP 89 Cb 0.02 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.22 1xpp h ASP 89 CO -0.03 1.18 0.65 0.25 -1.72 0.00 0.00 179.24 179.57 1xpp h LEU 90 N 0.88 1.04 -0.48 1.55 5.85 -1.05 -0.37 115.31 122.74 1xpp h LEU 90 Ca 0.12 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1xpp h LEU 90 Cb 0.75 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1xpp h LEU 90 CO 0.06 0.67 0.24 1.23 -0.34 0.00 0.00 178.44 180.30 1xpp h GLY 91 N 1.18 0.73 1.00 3.75 0.00 -0.88 0.02 103.07 108.88 1xpp h GLY 91 Ca 0.43 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1xpp h GLY 91 CO -0.17 0.34 0.51 -0.84 0.00 0.00 0.00 176.54 176.38 1xpp h THR 92 N 0.63 1.19 -0.18 4.70 2.02 -0.76 -0.43 112.91 120.09 1xpp h THR 92 Ca 0.17 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1xpp h THR 92 Cb 0.10 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1xpp h THR 92 CO -0.02 0.19 0.07 1.56 0.37 0.00 0.00 175.52 177.68 1xpp h GLN 93 N 1.03 0.27 -0.50 6.66 4.20 -0.75 -1.54 115.11 124.48 1xpp h GLN 93 Ca 0.28 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1xpp h GLN 93 Cb -0.12 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1xpp h GLN 93 CO -0.06 0.36 0.20 0.74 -0.67 0.00 0.00 178.83 179.40 1xpp h PHE 94 N 0.13 0.77 -0.44 2.96 0.04 -0.86 -1.02 116.94 118.51 1xpp h PHE 94 Ca 0.06 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1xpp h PHE 94 Cb 0.20 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 1xpp h PHE 94 CO -0.01 0.64 0.29 0.37 -0.60 0.00 0.00 178.31 178.99 1xpp h GLN 95 N 0.67 0.58 -0.46 1.51 4.15 -0.95 0.11 115.11 120.72 1xpp h GLN 95 Ca 0.17 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 1xpp h GLN 95 Cb 0.19 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1xpp h GLN 95 CO -0.01 0.39 -0.13 0.87 -1.93 0.00 0.00 178.83 178.01 1xpp h LYS 96 N 0.59 0.90 -0.46 1.69 1.57 -1.17 -2.06 116.57 117.64 1xpp h LYS 96 Ca 0.16 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1xpp h LYS 96 Cb -0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1xpp h LYS 96 CO -0.03 1.01 -0.02 1.49 -0.57 0.00 0.00 179.45 181.33 1xpp h GLU 97 N 0.75 0.83 -0.64 3.15 4.57 -0.71 -1.03 114.58 121.50 1xpp h GLU 97 Ca 0.11 -0.27 -0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1xpp h GLU 97 Cb 0.68 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1xpp h GLU 97 CO 0.05 0.89 0.17 0.74 -1.18 0.00 0.00 179.01 179.68 1xpp h PHE 98 N 0.68 1.05 0.00 0.92 0.04 -0.73 0.83 116.94 119.73 1xpp h PHE 98 Ca 0.13 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1xpp h PHE 98 Cb 0.52 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1xpp h PHE 98 CO 0.04 0.87 -0.45 -0.56 -0.60 0.00 0.00 178.31 177.61 1xpp h GLN 99 N 0.93 0.00 -0.02 1.51 3.07 -1.24 -1.03 115.11 118.33 1xpp h GLN 99 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.93 1xpp h GLN 99 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.89 1xpp h GLN 99 CO -0.00 0.45 -0.04 0.00 0.09 0.00 0.00 178.83 179.33 1xpp h ARG 100 N 0.00 0.07 -0.14 0.06 3.08 -0.74 -1.29 114.38 115.41 1xpp h ARG 100 Ca -0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.04 1xpp h ARG 100 Cb 0.84 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1xpp h ARG 100 CO 0.06 0.58 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.58 1xpp h TYR 101 N -0.45 -0.09 -0.27 3.04 5.03 -0.70 0.66 116.97 124.19 1xpp h TYR 101 Ca 0.00 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.24 1xpp h TYR 101 Cb 0.58 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1xpp h TYR 101 CO 0.11 -0.07 -0.21 0.93 -1.32 0.00 0.00 178.16 177.60 1xpp h GLU 102 N -0.01 0.50 -0.19 1.82 5.08 -1.30 -1.57 114.58 118.92 1xpp h GLU 102 Ca 0.07 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xpp h GLU 102 Cb 0.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xpp h GLU 102 CO -0.15 0.69 0.09 0.77 -1.00 0.00 0.00 179.01 179.41 1xpp h SER 103 N 0.45 0.14 -0.62 1.42 0.02 -0.56 -2.51 113.55 111.88 1xpp h SER 103 Ca 0.07 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1xpp h SER 103 Cb 0.62 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 1xpp h SER 103 CO 0.04 0.11 0.33 0.44 -1.14 0.00 0.00 176.83 176.61 1xpp h ASP 104 N 0.20 0.48 -0.01 3.07 3.45 -0.60 -3.51 116.42 119.50 1xpp h ASP 104 Ca 0.08 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1xpp h ASP 104 Cb 0.02 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 1xpp h ASP 104 CO -0.05 0.31 0.00 1.41 -1.57 0.00 0.00 179.24 179.34