#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpp s SER 9 N 0.00 6.31 0.15 1.62 1.04 -1.26 -4.79 113.70 116.76 1xpp s SER 9 Ca 0.00 0.95 -0.16 0.00 0.48 0.00 0.00 55.95 57.22 1xpp s SER 9 Cb 0.00 -2.26 0.03 0.00 0.10 0.00 0.00 66.02 63.89 1xpp s SER 9 CO 0.00 -0.54 0.42 -0.94 0.98 0.00 0.00 173.24 173.16 1xpp s SER 10 N -3.93 -0.23 0.11 7.02 1.04 -0.33 -5.00 113.70 112.38 1xpp s SER 10 Ca 0.48 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.49 1xpp s SER 10 Cb -0.10 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 1xpp s SER 10 CO 0.42 -0.91 0.08 -1.48 0.98 0.00 0.00 173.24 172.34 1xpp s LEU 11 N -2.83 1.81 -0.23 2.42 0.05 -1.26 -0.16 118.68 118.47 1xpp s LEU 11 Ca 0.05 -1.04 -0.16 0.00 0.05 0.00 0.00 54.13 53.04 1xpp s LEU 11 Cb 0.01 0.49 0.07 0.00 -2.05 0.00 0.00 46.19 44.71 1xpp s LEU 11 CO -0.09 -0.72 0.59 0.00 -0.55 0.00 0.00 176.35 175.58 1xpp s ARG 12 N -3.98 0.63 -0.04 1.48 3.03 -0.57 -4.99 118.95 114.51 1xpp s ARG 12 Ca 0.16 0.99 -0.30 0.00 2.03 0.00 0.00 55.73 58.61 1xpp s ARG 12 Cb 0.07 0.17 -0.05 0.00 -1.03 0.00 0.00 34.95 34.11 1xpp s ARG 12 CO -0.03 -0.13 1.42 0.08 -1.13 0.00 0.00 175.30 175.50 1xpp s VAL 13 N 1.14 3.81 -0.24 4.99 1.01 -1.26 -0.02 120.40 129.83 1xpp s VAL 13 Ca -0.07 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.07 1xpp s VAL 13 Cb -0.06 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1xpp s VAL 13 CO -0.11 -0.04 0.28 2.30 0.00 0.00 0.00 175.10 177.53 1xpp n ILE 14 N 4.95 0.00 -3.56 2.22 -5.35 0.27 -4.91 119.36 112.97 1xpp n ILE 14 Ca 0.14 -0.45 -0.17 0.00 -0.27 0.00 0.00 62.75 62.01 1xpp n ILE 14 Cb 0.44 1.02 -0.06 0.00 -1.74 0.00 0.00 39.64 39.30 1xpp n ILE 14 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1xpp s SER 15 N -1.02 -0.65 -0.27 7.28 0.15 -1.09 -4.98 113.70 113.13 1xpp s SER 15 Ca 0.02 0.85 -0.03 0.00 0.70 0.00 0.00 55.95 57.49 1xpp s SER 15 Cb 0.03 0.74 0.15 0.00 -1.71 0.00 0.00 66.02 65.23 1xpp s SER 15 CO 0.11 -0.51 0.50 -0.75 1.20 0.00 0.00 173.24 173.79 1xpp s LYS 16 N -0.82 0.46 0.53 5.44 2.47 -1.26 -0.84 119.74 125.72 1xpp s LYS 16 Ca -0.08 0.88 0.01 0.00 -1.56 0.00 0.00 55.97 55.21 1xpp s LYS 16 Cb -0.01 0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.53 1xpp s LYS 16 CO 0.07 -0.54 0.04 -1.21 0.16 0.00 0.00 175.35 173.88 1xpp s GLU 17 N 2.72 2.24 0.00 4.03 8.01 -0.38 -5.00 118.70 130.32 1xpp s GLU 17 Ca 0.12 -2.42 0.00 0.00 0.01 0.00 0.00 54.97 52.69 1xpp s GLU 17 Cb -0.14 -1.57 0.00 0.00 -4.31 0.00 0.00 34.13 28.10 1xpp s GLU 17 CO -0.18 -0.44 0.70 0.36 0.01 0.00 0.00 175.26 175.71 1xpp n LYS 18 N -1.37 0.00 -0.87 1.61 2.85 -1.26 -2.15 118.16 116.97 1xpp n LYS 18 Ca -0.20 0.70 -0.07 0.00 -1.05 0.00 0.00 58.31 57.70 1xpp n LYS 18 Cb 0.67 -1.07 0.20 0.00 -0.65 0.00 0.00 35.03 34.18 1xpp n LYS 18 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1xpp n ASN 19 N -2.59 2.58 -3.79 -5.58 3.02 -1.26 -4.90 115.26 102.75 1xpp n ASN 19 Ca 0.00 -3.78 -0.10 0.00 -0.03 0.00 0.00 54.58 50.67 1xpp n ASN 19 Cb 0.00 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.45 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 -2.41 -0.06 -0.03 6.41 1.04 -0.92 -0.80 113.70 116.94 1xpp s SER 20 Ca 0.46 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 1xpp s SER 20 Cb 0.42 0.44 0.03 0.00 0.10 0.00 0.00 66.02 67.00 1xpp s SER 20 CO 0.01 -0.85 0.34 -0.51 0.98 0.00 0.00 173.24 173.21 1xpp s ILE 21 N -3.87 0.05 -0.06 -1.02 2.07 -0.10 -1.24 121.20 117.03 1xpp s ILE 21 Ca 0.07 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 1xpp s ILE 21 Cb 0.03 -0.63 0.01 0.00 0.13 0.00 0.00 42.46 41.99 1xpp s ILE 21 CO -0.08 -0.22 -0.15 -0.89 -1.91 0.00 0.00 174.94 171.69 1xpp s THR 22 N -1.20 1.31 -0.08 4.00 2.01 -0.02 -1.37 115.64 120.29 1xpp s THR 22 Ca -0.12 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1xpp s THR 22 Cb -0.05 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.31 1xpp s THR 22 CO 0.04 0.39 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.49 1xpp s VAL 23 N 0.42 1.61 -0.04 3.82 1.01 -0.08 -0.57 120.40 126.57 1xpp s VAL 23 Ca -0.11 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 1xpp s VAL 23 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1xpp s VAL 23 CO 0.04 0.46 0.79 -0.70 0.00 0.00 0.00 175.10 175.69 1xpp s GLU 24 N 0.48 4.48 -0.20 2.72 2.12 0.96 -0.66 118.70 128.61 1xpp s GLU 24 Ca -0.17 1.06 0.01 0.00 0.36 0.00 0.00 54.97 56.24 1xpp s GLU 24 Cb -0.17 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.82 1xpp s GLU 24 CO 0.06 0.05 -0.13 -1.64 -0.54 0.00 0.00 175.26 173.06 1xpp s MET 25 N 0.80 2.34 -0.19 4.30 -1.94 -0.04 -1.51 119.30 123.06 1xpp s MET 25 Ca 0.42 -0.92 -0.03 0.00 -1.71 0.00 0.00 55.69 53.45 1xpp s MET 25 Cb -0.19 -2.53 -0.02 0.00 2.01 0.00 0.00 34.83 34.11 1xpp s MET 25 CO 0.22 -0.38 -0.05 0.42 -0.01 0.00 0.00 175.02 175.21 1xpp s ILE 26 N 1.32 3.52 -0.62 2.53 1.01 0.77 -3.67 121.20 126.05 1xpp s ILE 26 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1xpp s ILE 26 Cb -0.16 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1xpp s ILE 26 CO -0.09 0.45 0.00 -3.20 0.00 0.00 0.00 174.94 172.10 1xpp n ASN 27 N 4.30 -3.75 -4.90 3.58 5.15 -1.26 -1.18 115.26 117.19 1xpp n ASN 27 Ca -0.18 0.14 -0.28 0.00 -0.60 0.00 0.00 54.58 53.66 1xpp n ASN 27 Cb 0.52 -1.77 -0.00 0.00 -0.53 0.00 0.00 39.78 37.99 1xpp n ASN 27 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1xpp s TYR 28 N -2.20 3.56 0.16 1.20 1.51 -1.26 -4.61 117.35 115.71 1xpp s TYR 28 Ca 0.00 0.91 -0.30 0.00 -1.01 0.00 0.00 57.07 56.66 1xpp s TYR 28 Cb 0.00 -2.37 -0.08 0.00 -0.11 0.00 0.00 41.96 39.39 1xpp s TYR 28 CO 0.00 -0.30 1.29 0.34 -1.11 0.00 0.00 175.55 175.77 1xpp s ASP 29 N -3.96 6.94 0.44 2.29 2.15 -1.26 -4.92 116.67 118.35 1xpp s ASP 29 Ca 0.49 2.31 0.17 0.00 0.43 0.00 0.00 52.55 55.95 1xpp s ASP 29 Cb -0.10 -2.60 1.10 0.00 -0.30 0.00 0.00 42.92 41.02 1xpp s ASP 29 CO 0.44 -0.52 1.91 0.78 -0.17 0.00 0.00 175.17 177.61 1xpp h ASN 30 N 5.81 0.35 -0.91 -0.34 2.35 -2.00 0.21 115.58 121.06 1xpp h ASN 30 Ca -0.44 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.42 1xpp h ASN 30 Cb 1.21 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 39.47 1xpp h ASN 30 CO 0.79 0.17 0.56 0.74 -1.65 0.00 0.00 177.43 178.04 1xpp h THR 31 N 0.37 1.01 -0.43 2.81 2.02 -1.99 -1.50 112.91 115.20 1xpp h THR 31 Ca 0.39 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1xpp h THR 31 Cb 0.98 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1xpp h THR 31 CO -0.12 0.18 0.26 0.25 0.37 0.00 0.00 175.52 176.46 1xpp h LEU 32 N 0.99 0.44 -0.61 2.58 6.46 -1.33 -0.44 115.31 123.40 1xpp h LEU 32 Ca 0.41 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.16 1xpp h LEU 32 Cb 0.26 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1xpp h LEU 32 CO -0.20 0.31 0.34 -0.07 -0.62 0.00 0.00 178.44 178.21 1xpp h LEU 33 N 0.53 0.75 -0.53 2.25 3.38 -1.29 -0.32 115.31 120.07 1xpp h LEU 33 Ca 0.17 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1xpp h LEU 33 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1xpp h LEU 33 CO -0.06 0.61 -0.20 0.03 0.09 0.00 0.00 178.44 178.91 1xpp h ARG 34 N 0.82 0.98 -0.54 1.13 3.08 -1.09 -2.23 114.38 116.53 1xpp h ARG 34 Ca 0.21 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 1xpp h ARG 34 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1xpp h ARG 34 CO -0.04 1.08 0.08 1.15 -1.07 0.00 0.00 179.97 181.17 1xpp h THR 35 N 0.85 1.25 -0.33 2.04 2.02 -0.88 -0.54 112.91 117.32 1xpp h THR 35 Ca 0.11 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1xpp h THR 35 Cb 0.77 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1xpp h THR 35 CO 0.06 0.35 0.21 0.25 0.37 0.00 0.00 175.52 176.77 1xpp h LEU 36 N 0.78 0.37 -0.50 2.58 5.85 -0.94 -1.29 115.31 122.16 1xpp h LEU 36 Ca 0.16 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1xpp h LEU 36 Cb 0.42 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1xpp h LEU 36 CO 0.01 0.27 -0.04 0.58 -0.34 0.00 0.00 178.44 178.92 1xpp h VAL 37 N 0.44 1.27 -0.80 1.05 2.07 -1.16 0.13 116.25 119.24 1xpp h VAL 37 Ca 0.12 -1.14 0.08 0.00 0.82 0.00 0.00 66.70 66.58 1xpp h VAL 37 Cb -0.04 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 1xpp h VAL 37 CO -0.03 0.40 0.47 -0.08 0.02 0.00 0.00 177.57 178.35 1xpp h GLU 38 N 0.77 0.80 -0.33 1.57 4.81 -0.88 -1.22 114.58 120.10 1xpp h GLU 38 Ca 0.14 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 1xpp h GLU 38 Cb 0.57 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1xpp h GLU 38 CO 0.03 0.53 -0.16 1.49 -0.73 0.00 0.00 179.01 180.17 1xpp h GLU 39 N 0.82 0.69 -0.48 1.92 4.57 -0.76 -3.03 114.58 118.31 1xpp h GLU 39 Ca 0.37 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1xpp h GLU 39 Cb 0.26 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1xpp h GLU 39 CO -0.21 0.90 0.28 0.82 -1.18 0.00 0.00 179.01 179.62 1xpp h ILE 40 N 0.46 1.14 0.00 2.32 2.04 -0.43 -1.88 117.51 121.16 1xpp h ILE 40 Ca 0.07 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1xpp h ILE 40 Cb 0.70 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1xpp h ILE 40 CO 0.05 0.15 0.00 -0.07 0.00 0.00 0.00 178.15 178.28 1xpp h LEU 41 N 0.66 0.00 -0.36 1.44 3.38 -1.12 -2.05 115.31 117.26 1xpp h LEU 41 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xpp h LEU 41 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1xpp h LEU 41 CO -0.03 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.61 1xpp h LYS 42 N 0.00 0.00 -6.22 1.13 1.57 -1.33 -3.45 116.57 108.27 1xpp h LYS 42 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1xpp h LYS 42 Cb 0.26 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1xpp h LYS 42 CO 0.00 0.00 0.68 0.34 -0.57 0.00 0.00 179.45 179.90 1xpp s ASP 43 N -5.15 7.14 0.09 0.86 3.68 -0.77 -4.94 116.67 117.58 1xpp s ASP 43 Ca 0.07 1.57 0.18 0.00 2.13 0.00 0.00 52.55 56.50 1xpp s ASP 43 Cb 0.09 -2.55 0.77 0.00 -1.45 0.00 0.00 42.92 39.78 1xpp s ASP 43 CO 0.57 -0.56 1.58 -0.90 0.13 0.00 0.00 175.17 175.99 1xpp n ASP 44 N 5.50 0.23 -0.05 -0.34 5.68 -1.26 -1.76 116.55 124.56 1xpp n ASP 44 Ca 0.10 0.55 0.13 0.00 -0.50 0.00 0.00 54.79 55.08 1xpp n ASP 44 Cb 0.47 -0.60 0.48 0.00 -1.14 0.00 0.00 41.12 40.33 1xpp n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xpp n GLN 45 N -1.75 0.25 -3.29 0.11 6.02 -1.26 -4.87 117.38 112.58 1xpp n GLN 45 Ca 0.03 -0.09 -0.38 0.00 -0.01 0.00 0.00 57.00 56.55 1xpp n GLN 45 Cb 0.21 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.82 5.17 -0.20 5.09 1.01 -0.72 0.64 120.40 128.58 1xpp s VAL 46 Ca 0.18 0.99 -0.16 0.00 0.00 0.00 0.00 61.98 62.99 1xpp s VAL 46 Cb 0.19 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.53 1xpp s VAL 46 CO 0.57 0.32 0.18 -0.67 0.00 0.00 0.00 175.10 175.50 1xpp n ASP 47 N 3.66 1.94 -3.80 3.32 -0.08 0.10 -4.76 116.55 116.93 1xpp n ASP 47 Ca -0.07 0.34 -0.13 0.00 -1.51 0.00 0.00 54.79 53.43 1xpp n ASP 47 Cb 0.52 -0.91 -0.11 0.00 2.34 0.00 0.00 41.12 42.96 1xpp n ASP 47 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1xpp s GLU 48 N -2.43 0.36 -0.15 -0.67 2.12 -0.49 -4.99 118.70 112.45 1xpp s GLU 48 Ca -0.29 0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.15 1xpp s GLU 48 Cb 0.07 0.17 0.07 0.00 0.26 0.00 0.00 34.13 34.69 1xpp s GLU 48 CO 0.63 -0.06 0.32 0.00 -0.54 0.00 0.00 175.26 175.60 1xpp s ALA 49 N -0.27 -0.76 0.02 6.30 0.00 -1.26 -0.94 121.76 124.85 1xpp s ALA 49 Ca -0.04 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1xpp s ALA 49 Cb -0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1xpp s ALA 49 CO 0.01 -0.53 -0.06 1.03 0.00 0.00 0.00 175.76 176.21 1xpp s ARG 50 N 2.10 0.46 0.09 0.00 1.81 -0.19 -4.95 118.95 118.28 1xpp s ARG 50 Ca -0.03 -0.46 0.05 0.00 -1.72 0.00 0.00 55.73 53.57 1xpp s ARG 50 Cb -0.11 -0.33 -0.04 0.00 -0.45 0.00 0.00 34.95 34.01 1xpp s ARG 50 CO -0.10 0.08 0.02 1.52 -0.68 0.00 0.00 175.30 176.13 1xpp s TYR 51 N -0.74 3.02 -0.21 -0.53 -0.85 -1.26 -1.42 117.35 115.36 1xpp s TYR 51 Ca -0.04 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 1xpp s TYR 51 Cb -0.06 -1.54 0.05 0.00 0.38 0.00 0.00 41.96 40.79 1xpp s TYR 51 CO 0.00 0.49 -0.06 0.71 -1.52 0.00 0.00 175.55 175.17 1xpp s TYR 52 N -1.35 2.12 0.00 -3.49 1.51 0.27 -4.99 117.35 111.41 1xpp s TYR 52 Ca 0.27 -1.49 0.00 0.00 -1.01 0.00 0.00 57.07 54.83 1xpp s TYR 52 Cb -0.12 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1xpp s TYR 52 CO 0.19 -0.72 0.00 -0.89 -1.11 0.00 0.00 175.55 173.02 1xpp n ILE 53 N 4.75 0.00 0.09 2.71 5.41 -1.26 -1.80 119.36 129.26 1xpp n ILE 53 Ca -0.12 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.59 1xpp n ILE 53 Cb 0.46 -0.69 -0.03 0.00 -0.71 0.00 0.00 39.64 38.67 1xpp n ILE 53 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1xpp h LYS 54 N 0.00 0.00 -3.89 0.38 1.57 -1.98 -3.45 116.57 109.20 1xpp h LYS 54 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1xpp h LYS 54 Cb 0.00 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.01 1xpp h LYS 54 CO 0.00 0.84 -0.74 -1.01 -0.57 0.00 0.00 179.45 177.97 1xpp s HIS 55 N -2.94 0.23 0.00 -1.35 3.76 -1.26 -4.58 115.29 109.15 1xpp s HIS 55 Ca 0.01 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 1xpp s HIS 55 Cb 0.10 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.57 1xpp s HIS 55 CO 0.79 -0.04 0.00 -0.35 -0.85 0.00 0.00 174.74 174.29 1xpp n PRO 56 N 3.39 0.75 -2.52 8.40 -0.04 -1.26 -4.61 135.00 139.11 1xpp n PRO 56 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 1xpp n PRO 56 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1xpp n PRO 56 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xpp s VAL 57 N -0.22 4.05 0.08 0.52 1.01 -1.26 -4.83 120.40 119.75 1xpp s VAL 57 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.03 1xpp s VAL 57 Cb 0.00 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1xpp s VAL 57 CO 0.00 -1.05 -0.07 0.27 0.00 0.00 0.00 175.10 174.25 1xpp s ILE 58 N 4.97 0.70 0.16 2.22 -4.36 -1.26 -5.07 121.20 118.56 1xpp s ILE 58 Ca 0.50 -1.66 -0.10 0.00 -0.26 0.00 0.00 60.65 59.13 1xpp s ILE 58 Cb -0.09 -1.35 0.02 0.00 1.25 0.00 0.00 42.46 42.30 1xpp s ILE 58 CO 0.30 -0.69 1.59 0.44 0.24 0.00 0.00 174.94 176.81 1xpp h ASP 59 N 3.47 0.99 -5.08 4.36 3.32 -1.96 -3.45 116.42 118.06 1xpp h ASP 59 Ca -0.36 -0.35 -0.14 0.00 0.02 0.00 0.00 57.03 56.20 1xpp h ASP 59 Cb 1.18 -0.27 -0.18 0.00 0.22 0.00 0.00 39.33 40.28 1xpp h ASP 59 CO 0.56 1.11 -0.61 0.20 -1.72 0.00 0.00 179.24 178.78 1xpp s ASN 60 N -6.58 0.25 0.69 6.45 0.01 -1.26 -5.13 114.94 109.36 1xpp s ASN 60 Ca -0.12 -0.60 -0.17 0.00 -0.71 0.00 0.00 52.86 51.26 1xpp s ASN 60 Cb 0.12 0.18 -0.02 0.00 0.41 0.00 0.00 41.25 41.95 1xpp s ASN 60 CO 0.85 -0.46 0.85 -2.65 -1.51 0.00 0.00 177.10 174.19 1xpp n PRO 61 N 0.92 0.54 -4.12 -0.60 -0.02 -1.24 -4.81 135.00 125.68 1xpp n PRO 61 Ca -0.20 0.23 -0.15 0.00 -2.02 0.00 0.00 63.50 61.37 1xpp n PRO 61 Cb 0.58 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.84 1xpp n PRO 61 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xpp s GLN 62 N -3.03 0.62 0.05 -0.52 -0.21 -0.74 -0.86 119.66 114.96 1xpp s GLN 62 Ca 0.72 -0.76 0.08 0.00 0.02 0.00 0.00 55.36 55.42 1xpp s GLN 62 Cb -0.37 -0.47 -0.03 0.00 1.00 0.00 0.00 33.01 33.14 1xpp s GLN 62 CO 0.51 0.10 -0.21 0.96 -2.12 0.00 0.00 175.29 174.53 1xpp s ILE 63 N -1.23 2.59 -0.05 1.08 -4.36 0.17 -0.57 121.20 118.84 1xpp s ILE 63 Ca -0.06 -1.28 0.03 0.00 -0.26 0.00 0.00 60.65 59.08 1xpp s ILE 63 Cb -0.09 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.54 1xpp s ILE 63 CO 0.01 0.33 -0.14 -0.47 0.24 0.00 0.00 174.94 174.91 1xpp s TYR 64 N -0.91 1.48 -0.04 1.37 5.04 -0.50 -0.90 117.35 122.88 1xpp s TYR 64 Ca 0.14 -0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 1xpp s TYR 64 Cb -0.10 -1.04 0.02 0.00 0.35 0.00 0.00 41.96 41.19 1xpp s TYR 64 CO 0.05 -0.21 -0.02 0.08 -1.34 0.00 0.00 175.55 174.11 1xpp s VAL 65 N 0.34 0.36 -0.09 3.14 1.01 -0.47 -1.02 120.40 123.67 1xpp s VAL 65 Ca -0.09 0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1xpp s VAL 65 Cb -0.13 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 1xpp s VAL 65 CO 0.03 0.20 -0.24 -0.60 0.00 0.00 0.00 175.10 174.49 1xpp s ARG 66 N 1.14 2.97 0.12 2.72 3.52 -0.11 -0.93 118.95 128.38 1xpp s ARG 66 Ca -0.08 -0.88 0.05 0.00 -0.13 0.00 0.00 55.73 54.70 1xpp s ARG 66 Cb -0.14 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 1xpp s ARG 66 CO -0.01 0.22 0.03 0.14 -0.81 0.00 0.00 175.30 174.86 1xpp s VAL 67 N 0.25 4.09 0.09 7.11 -7.23 0.02 0.00 120.40 124.74 1xpp s VAL 67 Ca -0.16 -1.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.83 1xpp s VAL 67 Cb -0.17 -3.00 -0.20 0.00 0.56 0.00 0.00 36.38 33.57 1xpp s VAL 67 CO 0.08 0.04 1.25 0.11 -0.31 0.00 0.00 175.10 176.26 1xpp h LYS 68 N 3.10 0.66 -3.87 4.82 1.57 -0.10 -3.43 116.57 119.32 1xpp h LYS 68 Ca -0.47 -0.66 -0.10 0.00 -1.87 0.00 0.00 60.65 57.54 1xpp h LYS 68 Cb 1.18 0.18 -0.13 0.00 0.08 0.00 0.00 32.23 33.54 1xpp h LYS 68 CO 0.61 1.26 -0.33 -1.54 -0.57 0.00 0.00 179.45 178.87 1xpp s SER 69 N -7.21 0.06 0.57 0.86 1.04 -1.21 -5.09 113.70 102.73 1xpp s SER 69 Ca -0.09 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1xpp s SER 69 Cb 0.08 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1xpp s SER 69 CO 0.91 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1xpp n GLY 70 N -0.18 -0.06 3.67 7.32 0.00 -1.26 -4.85 105.19 109.83 1xpp n GLY 70 Ca -0.09 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 2.75 0.24 1.61 1.02 -1.26 -4.96 119.74 119.14 1xpp s LYS 71 Ca 0.00 -0.62 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 1xpp s LYS 71 Cb 0.00 -2.64 0.26 0.00 -0.52 0.00 0.00 37.83 34.92 1xpp s LYS 71 CO 0.00 0.62 1.69 -1.00 -0.92 0.00 0.00 175.35 175.75 1xpp h PRO 72 N 4.42 0.78 -0.45 -1.68 0.13 -1.89 -2.51 132.00 130.79 1xpp h PRO 72 Ca -0.49 -0.26 0.01 0.00 -0.87 0.00 0.00 66.00 64.39 1xpp h PRO 72 Cb 1.18 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1xpp h PRO 72 CO 0.56 0.86 0.30 -0.56 -0.23 0.00 0.00 178.00 178.94 1xpp h GLN 73 N 0.70 0.56 -0.52 0.86 -0.00 -1.94 -2.09 115.11 112.68 1xpp h GLN 73 Ca 0.12 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.66 1xpp h GLN 73 Cb 0.60 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.48 27.93 1xpp h GLN 73 CO 0.04 0.37 0.02 0.77 -0.00 0.00 0.00 178.83 180.03 1xpp h SER 74 N 0.57 0.83 -0.54 0.06 0.02 -1.87 -1.37 113.55 111.25 1xpp h SER 74 Ca 0.17 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1xpp h SER 74 Cb -0.01 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 1xpp h SER 74 CO -0.04 0.88 0.27 0.00 -1.14 0.00 0.00 176.83 176.81 1xpp h ALA 75 N 1.21 0.70 -0.22 3.77 0.00 -1.16 0.42 119.26 123.98 1xpp h ALA 75 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xpp h ALA 75 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xpp h ALA 75 CO 0.02 0.24 0.13 0.82 0.00 0.00 0.00 179.25 180.47 1xpp h ILE 76 N 0.73 1.09 -0.24 0.00 2.04 -1.28 -2.54 117.51 117.31 1xpp h ILE 76 Ca 0.19 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1xpp h ILE 76 Cb 0.09 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1xpp h ILE 76 CO -0.03 0.09 0.00 0.50 0.00 0.00 0.00 178.15 178.71 1xpp h LYS 77 N 0.27 0.08 -0.93 2.37 3.64 -0.92 -0.92 116.57 120.16 1xpp h LYS 77 Ca 0.08 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 1xpp h LYS 77 Cb 0.02 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 1xpp h LYS 77 CO -0.01 0.05 0.53 0.00 -2.27 0.00 0.00 179.45 177.75 1xpp h ARG 78 N 0.08 0.73 -0.18 1.90 3.08 -0.78 -0.24 114.38 118.97 1xpp h ARG 78 Ca 0.11 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.96 1xpp h ARG 78 Cb 0.14 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1xpp h ARG 78 CO -0.19 0.48 -0.52 0.00 -1.07 0.00 0.00 179.97 178.68 1xpp h ALA 79 N 1.58 0.31 -0.42 0.04 0.00 -0.96 -1.07 119.26 118.74 1xpp h ALA 79 Ca 0.50 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xpp h ALA 79 Cb 0.68 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1xpp h ALA 79 CO -0.34 0.50 0.06 0.28 0.00 0.00 0.00 179.25 179.75 1xpp h VAL 80 N 0.37 1.25 -0.37 0.00 2.07 -0.71 -0.48 116.25 118.38 1xpp h VAL 80 Ca -0.01 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1xpp h VAL 80 Cb 1.14 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1xpp h VAL 80 CO 0.11 0.31 -0.15 0.03 0.02 0.00 0.00 177.57 177.89 1xpp h ARG 81 N 0.55 0.67 -0.44 1.57 2.47 -1.01 -0.88 114.38 117.31 1xpp h ARG 81 Ca 0.13 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.60 1xpp h ARG 81 Cb 0.39 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 1xpp h ARG 81 CO 0.01 0.79 0.21 0.87 0.56 0.00 0.00 179.97 182.40 1xpp h LYS 82 N 0.60 0.64 -0.68 0.04 1.57 -0.89 -1.87 116.57 115.99 1xpp h LYS 82 Ca 0.10 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1xpp h LYS 82 Cb 0.60 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1xpp h LYS 82 CO 0.04 0.56 0.32 -0.07 -0.57 0.00 0.00 179.45 179.73 1xpp h LEU 83 N 0.57 0.89 -0.50 2.94 3.38 -0.72 -0.35 115.31 121.52 1xpp h LEU 83 Ca 0.15 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1xpp h LEU 83 Cb 0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1xpp h LEU 83 CO -0.02 0.78 0.26 0.28 0.09 0.00 0.00 178.44 179.84 1xpp h SER 84 N 0.94 0.39 -0.55 -0.43 0.02 -1.02 -2.45 113.55 110.46 1xpp h SER 84 Ca 0.23 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1xpp h SER 84 Cb 0.13 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1xpp h SER 84 CO -0.03 0.27 0.15 0.50 -1.14 0.00 0.00 176.83 176.59 1xpp h LYS 85 N 0.52 0.87 -0.41 3.45 3.64 -0.96 -0.91 116.57 122.77 1xpp h LYS 85 Ca 0.21 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1xpp h LYS 85 Cb 0.10 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1xpp h LYS 85 CO -0.14 0.81 0.21 -0.07 -2.27 0.00 0.00 179.45 178.00 1xpp h LEU 86 N 0.78 0.33 -0.32 5.20 3.38 -0.72 0.19 115.31 124.14 1xpp h LEU 86 Ca 0.18 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 1xpp h LEU 86 Cb 0.32 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1xpp h LEU 86 CO -0.00 0.24 -0.82 1.88 0.09 0.00 0.00 178.44 179.82 1xpp h TYR 87 N 0.44 0.48 -0.33 1.13 -1.99 -1.36 -0.98 116.97 114.35 1xpp h TYR 87 Ca 0.17 -0.24 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 1xpp h TYR 87 Cb 0.05 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1xpp h TYR 87 CO -0.09 1.02 0.07 0.93 -0.00 0.00 0.00 178.16 180.09 1xpp h GLU 88 N 0.21 0.55 -0.63 4.88 5.08 -0.82 -1.56 114.58 122.28 1xpp h GLU 88 Ca -0.05 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1xpp h GLU 88 Cb 1.43 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 1xpp h GLU 88 CO 0.14 0.62 0.10 -0.44 -1.00 0.00 0.00 179.01 178.42 1xpp h ASP 89 N 0.38 0.99 -0.48 1.42 3.32 -0.59 -0.61 116.42 120.85 1xpp h ASP 89 Ca 0.10 -0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.00 1xpp h ASP 89 Cb 0.33 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 1xpp h ASP 89 CO 0.00 0.99 0.13 0.25 -1.72 0.00 0.00 179.24 178.89 1xpp h LEU 90 N 0.97 0.07 -0.53 1.55 5.85 -0.94 -0.68 115.31 121.60 1xpp h LEU 90 Ca 0.19 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1xpp h LEU 90 Cb 0.43 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1xpp h LEU 90 CO 0.01 0.07 0.33 1.23 -0.34 0.00 0.00 178.44 179.75 1xpp h GLY 91 N 0.28 0.77 0.59 3.75 0.00 -0.59 -1.10 103.07 106.77 1xpp h GLY 91 Ca 0.24 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.32 1xpp h GLY 91 CO -0.28 0.30 0.16 -0.84 0.00 0.00 0.00 176.54 175.88 1xpp h THR 92 N 0.72 0.86 -0.26 4.70 2.02 -0.77 -0.39 112.91 119.79 1xpp h THR 92 Ca 0.19 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1xpp h THR 92 Cb -0.04 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1xpp h THR 92 CO -0.04 0.06 0.01 1.56 0.37 0.00 0.00 175.52 177.48 1xpp h GLN 93 N 0.34 0.46 -0.89 6.66 4.20 -0.88 0.22 115.11 125.22 1xpp h GLN 93 Ca 0.21 -0.14 0.09 0.00 0.06 0.00 0.00 58.65 58.87 1xpp h GLN 93 Cb 0.21 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 1xpp h GLN 93 CO -0.21 0.61 0.54 0.74 -0.67 0.00 0.00 178.83 179.84 1xpp h PHE 94 N 0.24 0.99 -0.38 2.96 0.04 -1.05 -0.79 116.94 118.95 1xpp h PHE 94 Ca 0.08 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.81 1xpp h PHE 94 Cb 0.40 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1xpp h PHE 94 CO 0.03 0.43 -0.02 1.96 -0.60 0.00 0.00 178.31 180.12 1xpp h GLN 95 N 0.92 0.68 0.04 1.51 1.08 -0.56 -2.16 115.11 116.61 1xpp h GLN 95 Ca 0.42 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1xpp h GLN 95 Cb 0.33 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1xpp h GLN 95 CO -0.23 0.79 -0.02 -0.22 -0.95 0.00 0.00 178.83 178.21 1xpp h LYS 96 N 0.50 -0.05 -0.75 1.46 3.64 -0.21 -3.05 116.57 118.11 1xpp h LYS 96 Ca 0.11 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1xpp h LYS 96 Cb 0.49 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1xpp h LYS 96 CO 0.02 0.47 0.47 1.49 -2.27 0.00 0.00 179.45 179.63 1xpp h GLU 97 N -0.59 1.01 -0.92 1.90 4.57 -1.23 -1.45 114.58 117.88 1xpp h GLU 97 Ca -0.00 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1xpp h GLU 97 Cb 0.54 -0.22 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 1xpp h GLU 97 CO 0.01 0.70 0.61 0.74 -1.18 0.00 0.00 179.01 179.88 1xpp h PHE 98 N 1.03 1.15 0.03 0.92 0.04 -1.42 0.90 116.94 119.59 1xpp h PHE 98 Ca 0.27 0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.84 1xpp h PHE 98 Cb -0.06 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 37.70 1xpp h PHE 98 CO 0.00 0.72 -0.98 0.37 -0.60 0.00 0.00 178.31 177.82 1xpp h GLN 99 N 1.24 0.31 0.11 1.51 4.15 -1.30 -2.01 115.11 119.12 1xpp h GLN 99 Ca 0.34 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1xpp h GLN 99 Cb -0.13 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1xpp h GLN 99 CO -0.08 1.08 -0.05 -0.09 -1.93 0.00 0.00 178.83 177.76 1xpp h ARG 100 N 0.16 -0.15 0.01 1.69 2.43 -1.06 -2.88 114.38 114.59 1xpp h ARG 100 Ca -0.08 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1xpp h ARG 100 Cb 1.63 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.17 1xpp h ARG 100 CO 0.16 0.15 -0.23 -0.92 -1.51 0.00 0.00 179.97 177.62 1xpp h TYR 101 N -0.45 -0.61 -0.95 2.20 3.20 -0.83 -1.99 116.97 117.54 1xpp h TYR 101 Ca -0.02 0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.13 1xpp h TYR 101 Cb 0.37 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 1xpp h TYR 101 CO 0.02 -0.32 0.66 0.93 -1.64 0.00 0.00 178.16 177.81 1xpp h GLU 102 N -0.37 0.18 0.10 1.82 5.08 -1.38 0.63 114.58 120.64 1xpp h GLU 102 Ca 0.06 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1xpp h GLU 102 Cb 0.44 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.67 1xpp h GLU 102 CO -0.20 0.12 -0.68 0.77 -1.00 0.00 0.00 179.01 178.01 1xpp h SER 103 N 0.18 0.42 0.00 1.42 0.02 -1.15 -3.41 113.55 111.03 1xpp h SER 103 Ca 0.48 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1xpp h SER 103 Cb 1.58 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1xpp h SER 103 CO -0.10 1.32 -0.79 0.47 -1.14 0.00 0.00 176.83 176.58 1xpp n ASP 104 N -4.20 2.01 0.00 3.07 9.92 -0.52 -5.13 116.55 121.69 1xpp n ASP 104 Ca -0.13 -0.31 0.00 0.00 -0.53 0.00 0.00 54.79 53.82 1xpp n ASP 104 Cb 0.76 1.14 0.00 0.00 -0.64 0.00 0.00 41.12 42.38 1xpp n ASP 104 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33