#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4m n HIS 10 N 0.00 1.37 -3.91 0.00 -0.00 -1.26 -4.95 115.22 106.46 1p4m n HIS 10 Ca 0.00 -0.90 -0.35 0.00 -0.00 0.00 0.00 57.72 56.47 1p4m n HIS 10 Cb 0.00 -0.41 -0.05 0.00 -0.00 0.00 0.00 29.99 29.53 1p4m n HIS 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1p4m s LEU 11 N -2.86 4.34 0.34 2.41 1.43 -1.26 -3.46 118.68 119.62 1p4m s LEU 11 Ca 0.47 0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 53.68 1p4m s LEU 11 Cb 0.37 -2.36 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 1p4m s LEU 11 CO 0.11 0.32 1.07 -2.16 0.23 0.00 0.00 176.35 175.92 1p4m s PRO 12 N -1.54 4.41 -0.18 1.29 0.04 -1.26 -5.08 135.00 132.67 1p4m s PRO 12 Ca 0.22 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 1p4m s PRO 12 Cb -0.12 -2.87 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1p4m s PRO 12 CO 0.12 0.05 -0.07 -0.47 0.04 0.00 0.00 177.00 176.68 1p4m s TYR 13 N -1.41 2.93 -0.15 0.56 5.04 -0.04 -4.92 117.35 119.36 1p4m s TYR 13 Ca 0.51 -0.72 -0.04 0.00 -2.44 0.00 0.00 57.07 54.38 1p4m s TYR 13 Cb -0.27 -2.00 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 1p4m s TYR 13 CO 0.34 -0.34 -0.01 -0.06 -1.34 0.00 0.00 175.55 174.14 1p4m s PHE 14 N 0.92 3.10 0.14 4.97 0.08 -1.26 -0.24 117.98 125.69 1p4m s PHE 14 Ca -0.01 -0.14 -0.17 0.00 0.12 0.00 0.00 56.93 56.73 1p4m s PHE 14 Cb -0.15 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1p4m s PHE 14 CO 0.01 0.07 0.43 0.00 -0.10 0.00 0.00 175.22 175.63 1p4m s ARG 16 N -3.81 0.27 -0.07 0.00 0.52 -1.26 -0.30 118.95 114.31 1p4m s ARG 16 Ca 0.03 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 1p4m s ARG 16 Cb 0.01 0.05 0.11 0.00 0.52 0.00 0.00 34.95 35.65 1p4m s ARG 16 CO -0.11 -0.03 0.96 0.20 0.02 0.00 0.00 175.30 176.34 1p4m s GLY 17 N -1.19 -0.40 0.34 -3.53 0.00 -0.79 -4.97 107.32 96.79 1p4m s GLY 17 Ca -0.12 1.32 -0.29 0.00 0.00 0.00 0.00 44.72 45.63 1p4m s GLY 17 CO -0.01 0.52 1.38 1.20 0.00 0.00 0.00 173.10 176.19 1p4m s GLN 18 N -2.58 4.26 -0.19 2.90 -0.21 -1.26 -0.36 119.66 122.21 1p4m s GLN 18 Ca 0.04 2.36 -0.26 0.00 0.02 0.00 0.00 55.36 57.52 1p4m s GLN 18 Cb -0.01 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 1p4m s GLN 18 CO -0.06 -0.33 0.86 0.08 -2.12 0.00 0.00 175.29 173.71 1p4m s VAL 19 N -1.06 4.85 0.19 1.09 1.01 -0.40 -3.88 120.40 122.20 1p4m s VAL 19 Ca 0.51 1.66 0.08 0.00 0.00 0.00 0.00 61.98 64.23 1p4m s VAL 19 Cb -0.42 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1p4m s VAL 19 CO 0.56 -0.02 -0.16 0.68 0.00 0.00 0.00 175.10 176.16 1p4m s VAL 20 N 2.45 1.76 0.50 2.92 -7.23 0.09 -0.35 120.40 120.54 1p4m s VAL 20 Ca 0.38 -2.11 -0.19 0.00 -1.81 0.00 0.00 61.98 58.25 1p4m s VAL 20 Cb -0.16 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.74 1p4m s VAL 20 CO 0.10 -0.50 1.02 -0.13 -0.31 0.00 0.00 175.10 175.28 1p4m s ARG 21 N -3.34 3.80 0.00 4.82 0.52 -1.26 -3.72 118.95 119.76 1p4m s ARG 21 Ca 0.20 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1p4m s ARG 21 Cb -0.03 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1p4m s ARG 21 CO 0.07 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 175.38 1p4m n GLY 22 N -0.59 2.91 3.75 -3.53 0.00 -1.26 -4.99 105.19 101.48 1p4m n GLY 22 Ca 0.09 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 1p4m n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p4m s PHE 23 N 0.31 2.00 0.00 1.61 0.08 -1.26 -5.00 117.98 115.72 1p4m s PHE 23 Ca 0.00 -0.87 0.00 0.00 0.12 0.00 0.00 56.93 56.18 1p4m s PHE 23 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1p4m s PHE 23 CO 0.00 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.73 1p4m n GLY 24 N -1.26 0.60 3.74 4.36 0.00 -1.26 -4.67 105.19 106.69 1p4m n GLY 24 Ca -0.14 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1p4m n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p4m s ARG 25 N 0.00 4.31 0.69 1.61 0.52 -1.26 -5.03 118.95 119.79 1p4m s ARG 25 Ca 0.00 0.56 -0.16 0.00 -0.52 0.00 0.00 55.73 55.61 1p4m s ARG 25 Cb 0.00 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 32.08 1p4m s ARG 25 CO 0.00 0.23 1.20 0.20 0.02 0.00 0.00 175.30 176.95 1p4m s GLY 26 N 0.34 2.44 0.00 -3.53 0.00 -1.26 -4.87 107.32 100.44 1p4m s GLY 26 Ca 0.28 0.89 0.26 0.00 0.00 0.00 0.00 44.72 46.15 1p4m s GLY 26 CO 0.13 1.29 1.89 -1.14 0.00 0.00 0.00 173.10 175.27 1p4m n SER 27 N -2.38 0.00 -0.30 1.64 3.41 -1.26 -1.61 113.62 113.12 1p4m n SER 27 Ca 0.13 -0.66 0.28 0.00 -0.26 0.00 0.00 58.87 58.37 1p4m n SER 27 Cb 0.50 -0.06 0.63 0.00 -0.26 0.00 0.00 64.21 65.02 1p4m n SER 27 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1p4m h LYS 28 N 0.00 0.19 0.00 4.33 1.57 -1.90 -0.07 116.57 120.69 1p4m h LYS 28 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1p4m h LYS 28 Cb 0.05 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1p4m h LYS 28 CO 0.00 0.13 -0.01 -0.56 -0.57 0.00 0.00 179.45 178.44 1p4m h GLN 29 N 0.20 0.00 -0.05 3.15 3.07 -1.66 -0.27 115.11 119.56 1p4m h GLN 29 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.30 1p4m h GLN 29 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.38 1p4m h GLN 29 CO -0.15 0.01 0.00 1.28 0.09 0.00 0.00 178.83 180.06 1p4m n LEU 30 N -3.59 2.41 -0.07 0.06 4.77 -0.08 -4.92 117.00 115.57 1p4m n LEU 30 Ca -0.03 -0.83 -0.01 0.00 -0.03 0.00 0.00 56.01 55.12 1p4m n LEU 30 Cb 0.10 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1p4m n LEU 30 CO 0.25 0.41 -0.01 0.61 -1.33 0.00 0.00 177.39 177.33 1p4m n GLY 31 N 1.28 0.49 2.63 -0.72 0.00 -0.11 -4.99 105.19 103.78 1p4m n GLY 31 Ca 0.16 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1p4m n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1p4m n ILE 32 N -2.89 0.50 -2.09 -0.61 5.41 -0.93 -4.98 119.36 113.77 1p4m n ILE 32 Ca -0.01 -4.31 -0.40 0.00 1.00 0.00 0.00 62.75 59.03 1p4m n ILE 32 Cb 0.07 -1.97 -0.01 0.00 -0.71 0.00 0.00 39.64 37.02 1p4m n ILE 32 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1p4m s PRO 33 N -0.97 4.14 -0.18 0.38 0.04 -1.25 -4.10 135.00 133.06 1p4m s PRO 33 Ca 0.30 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1p4m s PRO 33 Cb 0.02 -2.89 0.04 0.00 0.04 0.00 0.00 34.50 31.70 1p4m s PRO 33 CO -0.17 -0.35 -0.09 0.95 0.04 0.00 0.00 177.00 177.38 1p4m s THR 34 N -1.22 1.41 -0.01 1.26 -4.23 -1.26 -4.32 115.64 107.27 1p4m s THR 34 Ca 0.53 -0.78 -0.22 0.00 -1.18 0.00 0.00 61.69 60.04 1p4m s THR 34 Cb -0.39 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 1p4m s THR 34 CO 0.50 0.20 0.65 0.00 -0.54 0.00 0.00 174.62 175.44 1p4m s ALA 35 N 1.51 3.43 0.13 3.99 0.00 0.79 -4.73 121.76 126.88 1p4m s ALA 35 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1p4m s ALA 35 Cb -0.15 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1p4m s ALA 35 CO -0.08 0.08 0.34 -0.80 0.00 0.00 0.00 175.76 175.29 1p4m s ASN 36 N 0.09 6.45 0.15 0.00 0.01 -1.24 -0.86 114.94 119.54 1p4m s ASN 36 Ca 0.34 0.50 0.05 0.00 -0.71 0.00 0.00 52.86 53.04 1p4m s ASN 36 Cb -0.18 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1p4m s ASN 36 CO 0.18 0.07 0.09 -0.36 -1.51 0.00 0.00 177.10 175.58 1p4m s PHE 37 N -1.64 3.08 0.70 2.20 0.08 -1.26 -0.73 117.98 120.41 1p4m s PHE 37 Ca 0.40 -0.03 -0.17 0.00 0.12 0.00 0.00 56.93 57.25 1p4m s PHE 37 Cb -0.12 -1.50 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 1p4m s PHE 37 CO 0.26 0.52 1.27 -2.14 -0.10 0.00 0.00 175.22 175.02 1p4m s PRO 38 N -2.93 2.27 0.37 0.24 0.02 -1.25 -4.85 135.00 128.87 1p4m s PRO 38 Ca 0.30 1.96 0.22 0.00 0.02 0.00 0.00 61.00 63.50 1p4m s PRO 38 Cb -0.10 -1.82 1.32 0.00 0.02 0.00 0.00 34.50 33.91 1p4m s PRO 38 CO 0.22 -1.78 1.52 -1.91 -0.33 0.00 0.00 177.00 174.72 1p4m n GLU 39 N -2.34 -0.05 -0.31 5.54 2.13 -1.26 -1.44 120.64 122.91 1p4m n GLU 39 Ca 0.15 1.31 0.05 0.00 0.66 0.00 0.00 57.16 59.33 1p4m n GLU 39 Cb 0.49 -2.39 0.24 0.00 0.27 0.00 0.00 31.44 30.05 1p4m n GLU 39 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 1p4m h GLN 40 N 0.00 0.99 0.00 5.31 3.07 -1.99 0.23 115.11 122.72 1p4m h GLN 40 Ca 0.82 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 59.50 1p4m h GLN 40 Cb 2.25 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 29.59 1p4m h GLN 40 CO -0.70 0.65 -0.00 0.28 0.09 0.00 0.00 178.83 179.15 1p4m h VAL 41 N 1.02 1.48 -0.87 1.86 2.07 -1.59 -3.17 116.25 117.03 1p4m h VAL 41 Ca 0.40 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1p4m h VAL 41 Cb 0.25 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 1p4m h VAL 41 CO -0.16 0.37 0.58 0.58 0.02 0.00 0.00 177.57 178.96 1p4m h VAL 42 N -0.62 1.23 0.00 2.57 2.07 -1.44 -2.10 116.25 117.96 1p4m h VAL 42 Ca -0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1p4m h VAL 42 Cb 0.61 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1p4m h VAL 42 CO 0.00 0.22 0.00 0.44 0.02 0.00 0.00 177.57 178.25 1p4m h ASP 43 N 1.19 0.00 -0.15 0.57 3.32 -0.98 -2.17 116.42 118.21 1p4m h ASP 43 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1p4m h ASP 43 Cb -0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1p4m h ASP 43 CO -0.07 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.04 1p4m n ASN 44 N -2.67 2.81 -4.77 6.45 3.02 -0.79 -4.89 115.26 114.41 1p4m n ASN 44 Ca -0.02 -1.90 -0.40 0.00 -0.03 0.00 0.00 54.58 52.23 1p4m n ASN 44 Cb 0.09 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1p4m n ASN 44 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1p4m s LEU 45 N -1.81 4.25 0.62 3.41 1.43 -0.82 -4.98 118.68 120.79 1p4m s LEU 45 Ca 0.33 2.88 -0.18 0.00 -1.03 0.00 0.00 54.13 56.13 1p4m s LEU 45 Cb 0.21 -3.79 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 1p4m s LEU 45 CO 0.31 -0.91 1.24 -2.84 0.23 0.00 0.00 176.35 174.38 1p4m s PRO 46 N -2.19 2.78 0.60 1.29 0.02 -1.26 -4.91 135.00 131.33 1p4m s PRO 46 Ca 0.55 1.93 0.31 0.00 0.02 0.00 0.00 61.00 63.82 1p4m s PRO 46 Cb -0.43 -1.89 1.90 0.00 0.02 0.00 0.00 34.50 34.09 1p4m s PRO 46 CO 0.57 -1.38 2.27 0.00 -0.33 0.00 0.00 177.00 178.13 1p4m h ALA 47 N 0.72 1.47 0.00 -1.55 0.00 -1.97 -2.53 119.26 115.41 1p4m h ALA 47 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1p4m h ALA 47 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1p4m h ALA 47 CO 0.54 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 1p4m n ASP 48 N -3.76 0.07 -4.52 0.00 5.68 -1.26 -3.96 116.55 108.80 1p4m n ASP 48 Ca -0.03 0.51 -0.43 0.00 -0.50 0.00 0.00 54.79 54.34 1p4m n ASP 48 Cb 0.08 -0.53 -0.02 0.00 -1.14 0.00 0.00 41.12 39.52 1p4m n ASP 48 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1p4m s ILE 49 N -3.01 4.36 1.07 2.12 1.01 -0.95 -4.90 121.20 120.89 1p4m s ILE 49 Ca 0.13 -1.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.05 1p4m s ILE 49 Cb 0.17 -5.01 0.23 0.00 0.01 0.00 0.00 42.46 37.86 1p4m s ILE 49 CO 0.51 -1.81 1.06 -0.94 0.00 0.00 0.00 174.94 173.76 1p4m s SER 50 N 4.07 1.83 0.76 3.58 1.04 -1.25 -4.93 113.70 118.80 1p4m s SER 50 Ca 0.45 1.60 -0.11 0.00 0.48 0.00 0.00 55.95 58.37 1p4m s SER 50 Cb -0.00 -2.29 0.05 0.00 0.10 0.00 0.00 66.02 63.88 1p4m s SER 50 CO -0.03 -3.68 1.09 0.42 0.98 0.00 0.00 173.24 172.02 1p4m s THR 51 N -2.62 3.30 -3.85 2.02 -4.23 -1.26 -4.89 115.64 104.12 1p4m s THR 51 Ca 0.67 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 1p4m s THR 51 Cb -0.23 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1p4m s THR 51 CO 0.62 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1p4m n GLY 52 N -1.12 0.83 3.47 3.99 0.00 0.38 -4.51 105.19 108.23 1p4m n GLY 52 Ca 0.09 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 1p4m n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p4m s ILE 53 N -1.69 3.60 0.36 -0.61 -1.09 0.20 -0.79 121.20 121.18 1p4m s ILE 53 Ca 0.00 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 57.99 1p4m s ILE 53 Cb 0.00 -2.54 -0.06 0.00 -1.58 0.00 0.00 42.46 38.28 1p4m s ILE 53 CO 0.00 0.52 0.05 -0.31 -1.23 0.00 0.00 174.94 173.97 1p4m s TYR 54 N 0.14 2.06 0.05 3.97 1.51 0.91 0.07 117.35 126.06 1p4m s TYR 54 Ca -0.03 -0.93 -0.01 0.00 -1.01 0.00 0.00 57.07 55.09 1p4m s TYR 54 Cb -0.14 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1p4m s TYR 54 CO 0.03 0.08 -0.03 1.52 -1.11 0.00 0.00 175.55 176.04 1p4m s TYR 55 N -3.15 0.55 -0.40 2.71 1.13 -0.19 -0.75 117.35 117.25 1p4m s TYR 55 Ca 0.33 -1.03 0.00 0.00 -1.41 0.00 0.00 57.07 54.96 1p4m s TYR 55 Cb 0.08 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 1p4m s TYR 55 CO 0.15 -0.35 0.00 0.41 -2.51 0.00 0.00 175.55 173.26 1p4m n GLY 56 N 0.15 -0.88 3.19 5.49 0.00 -0.51 -0.94 105.19 111.69 1p4m n GLY 56 Ca -0.14 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 1p4m n GLY 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1p4m s TRP 57 N -4.00 1.35 -0.04 1.61 0.52 -0.36 -0.69 118.94 117.33 1p4m s TRP 57 Ca 0.00 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.59 1p4m s TRP 57 Cb 0.00 -0.77 0.02 0.00 -1.15 0.00 0.00 33.47 31.57 1p4m s TRP 57 CO 0.00 0.08 0.25 0.00 0.02 0.00 0.00 176.95 177.29 1p4m s ALA 58 N -1.11 -0.61 0.15 0.98 0.00 0.24 -0.85 121.76 120.56 1p4m s ALA 58 Ca 0.01 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.37 1p4m s ALA 58 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1p4m s ALA 58 CO 0.02 -0.20 -0.08 -1.54 0.00 0.00 0.00 175.76 173.97 1p4m s SER 59 N -0.79 1.64 -0.14 0.00 1.04 -0.54 -0.52 113.70 114.39 1p4m s SER 59 Ca -0.09 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.28 1p4m s SER 59 Cb -0.05 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1p4m s SER 59 CO 0.02 -0.39 -0.10 -0.69 0.98 0.00 0.00 173.24 173.06 1p4m s VAL 60 N -3.41 3.32 0.00 5.02 1.01 -1.26 -0.77 120.40 124.30 1p4m s VAL 60 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1p4m s VAL 60 Cb 0.04 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1p4m s VAL 60 CO 0.01 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1p4m n GLY 61 N 3.53 2.69 1.14 4.51 0.00 0.29 -0.60 105.19 116.75 1p4m n GLY 61 Ca -0.18 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1p4m n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p4m n SER 62 N 3.26 3.33 -3.32 1.61 3.41 -1.25 -4.74 113.62 115.91 1p4m n SER 62 Ca 0.00 -1.98 -0.22 0.00 -0.26 0.00 0.00 58.87 56.41 1p4m n SER 62 Cb 0.00 -0.36 0.18 0.00 -0.26 0.00 0.00 64.21 63.77 1p4m n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p4m n GLY 63 N 1.49 -2.42 3.80 5.00 0.00 0.23 -4.61 105.19 108.68 1p4m n GLY 63 Ca 0.21 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1p4m n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p4m s ASP 64 N -3.91 4.76 -0.11 1.61 1.01 -1.26 -4.64 116.67 114.13 1p4m s ASP 64 Ca 0.54 1.44 -0.18 0.00 0.71 0.00 0.00 52.55 55.06 1p4m s ASP 64 Cb -0.04 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1p4m s ASP 64 CO 0.40 -1.82 0.48 -0.69 0.21 0.00 0.00 175.17 173.76 1p4m s VAL 65 N -3.10 5.18 0.20 -1.27 1.01 -1.26 -4.36 120.40 116.79 1p4m s VAL 65 Ca 0.60 0.97 0.05 0.00 0.00 0.00 0.00 61.98 63.60 1p4m s VAL 65 Cb -0.14 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1p4m s VAL 65 CO 0.55 0.33 -0.07 -1.00 0.00 0.00 0.00 175.10 174.91 1p4m s HIS 66 N 0.57 1.49 0.54 5.22 3.76 0.32 -4.92 115.29 122.27 1p4m s HIS 66 Ca 0.26 -0.79 -0.19 0.00 -0.15 0.00 0.00 55.06 54.19 1p4m s HIS 66 Cb -0.15 -0.80 -0.06 0.00 1.11 0.00 0.00 32.58 32.68 1p4m s HIS 66 CO 0.11 0.09 1.10 0.15 -0.85 0.00 0.00 174.74 175.33 1p4m s LYS 67 N -3.78 3.41 0.10 1.40 1.02 -1.26 -0.59 119.74 120.04 1p4m s LYS 67 Ca 0.23 1.50 -0.13 0.00 0.02 0.00 0.00 55.97 57.59 1p4m s LYS 67 Cb 0.03 -2.02 0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1p4m s LYS 67 CO 0.05 -0.78 0.30 0.00 -0.92 0.00 0.00 175.35 174.00 1p4m s MET 68 N -3.41 0.94 0.02 1.68 0.23 0.13 -1.09 119.30 117.80 1p4m s MET 68 Ca 0.70 -0.79 0.06 0.00 -1.03 0.00 0.00 55.69 54.63 1p4m s MET 68 Cb -0.21 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 1p4m s MET 68 CO 0.27 -0.33 -0.16 0.14 -2.03 0.00 0.00 175.02 172.91 1p4m s VAL 69 N -3.66 2.91 -0.07 5.16 -7.23 -0.61 -1.42 120.40 115.47 1p4m s VAL 69 Ca 0.03 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.18 1p4m s VAL 69 Cb 0.03 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.75 1p4m s VAL 69 CO -0.10 0.39 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.17 1p4m s VAL 70 N -0.90 1.80 -0.27 1.32 1.01 0.07 -0.64 120.40 122.79 1p4m s VAL 70 Ca 0.14 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1p4m s VAL 70 Cb -0.11 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1p4m s VAL 70 CO 0.05 0.50 0.22 -0.55 0.00 0.00 0.00 175.10 175.32 1p4m s SER 71 N 0.20 6.09 -0.22 3.32 0.15 -0.10 -0.06 113.70 123.07 1p4m s SER 71 Ca -0.11 0.08 -0.05 0.00 0.70 0.00 0.00 55.95 56.57 1p4m s SER 71 Cb -0.15 -2.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1p4m s SER 71 CO 0.05 -0.05 -0.01 -0.63 1.20 0.00 0.00 173.24 173.80 1p4m s ILE 72 N 1.66 3.69 0.37 6.45 1.01 0.03 -1.81 121.20 132.59 1p4m s ILE 72 Ca 0.09 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.41 1p4m s ILE 72 Cb -0.15 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 1p4m s ILE 72 CO 0.09 0.41 0.22 0.61 0.00 0.00 0.00 174.94 176.28 1p4m n GLY 73 N 4.66 3.04 3.79 6.18 0.00 -0.32 -0.47 105.19 122.07 1p4m n GLY 73 Ca -0.18 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 1p4m n GLY 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1p4m s TRP 74 N -3.26 3.70 -0.32 1.61 0.52 -1.26 -0.17 118.94 119.75 1p4m s TRP 74 Ca 0.32 1.07 -0.24 0.00 0.02 0.00 0.00 56.10 57.27 1p4m s TRP 74 Cb 0.02 -2.44 0.00 0.00 -1.15 0.00 0.00 33.47 29.90 1p4m s TRP 74 CO 0.22 0.49 0.83 1.21 0.02 0.00 0.00 176.95 179.72 1p4m s ASN 75 N -0.60 6.68 0.00 2.95 3.84 0.47 -4.69 114.94 123.59 1p4m s ASN 75 Ca 0.27 0.67 0.00 0.00 0.21 0.00 0.00 52.86 54.01 1p4m s ASN 75 Cb -0.17 -2.42 0.01 0.00 -0.55 0.00 0.00 41.25 38.12 1p4m s ASN 75 CO 0.15 -0.67 0.97 -2.65 -2.79 0.00 0.00 177.10 172.11 1p4m n PRO 76 N 6.33 0.00 -0.01 0.43 -0.02 -1.26 -4.21 135.00 136.26 1p4m n PRO 76 Ca 0.05 0.47 0.01 0.00 -2.02 0.00 0.00 63.50 62.00 1p4m n PRO 76 Cb 0.48 -1.54 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 1p4m n PRO 76 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1p4m n TYR 77 N -1.47 0.00 -3.69 6.00 4.01 -1.26 -5.00 117.16 115.74 1p4m n TYR 77 Ca -0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1p4m n TYR 77 Cb 0.04 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 38.86 1p4m n TYR 77 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1p4m s TYR 78 N -2.28 3.48 0.62 -0.72 2.02 -1.26 -5.07 117.35 114.14 1p4m s TYR 78 Ca -0.02 0.46 -0.19 0.00 -0.37 0.00 0.00 57.07 56.95 1p4m s TYR 78 Cb 0.03 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1p4m s TYR 78 CO 0.22 0.42 1.26 -1.59 -1.57 0.00 0.00 175.55 174.28 1p4m s LYS 79 N -2.90 2.79 1.38 -0.62 -2.85 -1.26 -4.53 119.74 111.74 1p4m s LYS 79 Ca 0.40 1.96 0.00 0.00 -1.00 0.00 0.00 55.97 57.33 1p4m s LYS 79 Cb -0.12 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1p4m s LYS 79 CO 0.27 -1.39 0.00 0.09 0.10 0.00 0.00 175.35 174.42 1p4m n ASN 80 N -1.70 -3.90 -4.15 0.03 3.02 -1.26 -4.59 115.26 102.71 1p4m n ASN 80 Ca 0.15 0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 54.46 1p4m n ASN 80 Cb 0.49 -0.44 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 1p4m n ASN 80 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1p4m s THR 81 N -0.28 4.17 0.18 3.41 -4.23 -1.26 -5.00 115.64 112.62 1p4m s THR 81 Ca 0.00 -2.89 -0.08 0.00 -1.18 0.00 0.00 61.69 57.54 1p4m s THR 81 Cb 0.00 -3.67 -0.06 0.00 1.34 0.00 0.00 72.50 70.11 1p4m s THR 81 CO 0.00 -0.92 0.47 -0.54 -0.54 0.00 0.00 174.62 173.09 1p4m s LYS 82 N -0.07 3.73 0.58 3.99 -0.14 -1.26 -4.97 119.74 121.59 1p4m s LYS 82 Ca 0.18 0.12 0.02 0.00 -1.36 0.00 0.00 55.97 54.92 1p4m s LYS 82 Cb -0.18 -2.76 0.05 0.00 -1.68 0.00 0.00 37.83 33.26 1p4m s LYS 82 CO -0.05 0.40 0.81 0.15 -0.76 0.00 0.00 175.35 175.90 1p4m s LYS 83 N -2.67 2.37 0.14 1.68 1.02 -1.26 -0.40 119.74 120.63 1p4m s LYS 83 Ca 0.43 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.55 1p4m s LYS 83 Cb -0.12 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1p4m s LYS 83 CO 0.22 -0.84 -0.13 -1.54 -0.92 0.00 0.00 175.35 172.15 1p4m s SER 84 N -4.50 2.02 -0.09 2.83 1.04 0.76 -4.48 113.70 111.27 1p4m s SER 84 Ca 0.59 -0.91 -0.07 0.00 0.48 0.00 0.00 55.95 56.04 1p4m s SER 84 Cb -0.09 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.00 1p4m s SER 84 CO 0.39 -0.21 0.24 -0.32 0.98 0.00 0.00 173.24 174.32 1p4m s MET 85 N -3.20 0.24 -0.12 4.02 1.75 -1.26 -1.18 119.30 119.56 1p4m s MET 85 Ca 0.14 0.42 -0.11 0.00 -1.25 0.00 0.00 55.69 54.88 1p4m s MET 85 Cb -0.02 0.01 0.03 0.00 2.84 0.00 0.00 34.83 37.70 1p4m s MET 85 CO 0.03 -0.09 0.32 -1.83 -0.65 0.00 0.00 175.02 172.79 1p4m s GLU 86 N 0.66 0.37 -0.09 4.11 -1.05 -0.75 -4.23 118.70 117.71 1p4m s GLU 86 Ca -0.04 0.45 0.04 0.00 -0.15 0.00 0.00 54.97 55.27 1p4m s GLU 86 Cb -0.06 0.17 -0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1p4m s GLU 86 CO -0.04 -0.05 -0.23 0.99 0.95 0.00 0.00 175.26 176.88 1p4m s THR 87 N 0.21 1.97 -0.20 1.83 2.01 -0.04 -0.93 115.64 120.49 1p4m s THR 87 Ca -0.00 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1p4m s THR 87 Cb -0.02 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1p4m s THR 87 CO 0.00 0.54 -0.02 -2.28 -0.69 0.00 0.00 174.62 172.17 1p4m s HIS 88 N 0.30 3.01 -0.13 4.92 5.04 0.18 -0.15 115.29 128.47 1p4m s HIS 88 Ca -0.16 -0.53 -0.14 0.00 -1.54 0.00 0.00 55.06 52.68 1p4m s HIS 88 Cb -0.17 -2.06 -0.05 0.00 0.04 0.00 0.00 32.58 30.34 1p4m s HIS 88 CO 0.08 -0.27 0.34 0.42 -2.34 0.00 0.00 174.74 172.96 1p4m s ILE 89 N 0.98 5.26 -1.29 0.89 1.01 -1.26 -1.58 121.20 125.21 1p4m s ILE 89 Ca 0.01 0.65 -0.14 0.00 0.00 0.00 0.00 60.65 61.17 1p4m s ILE 89 Cb -0.14 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.78 1p4m s ILE 89 CO 0.01 0.41 1.72 0.23 0.00 0.00 0.00 174.94 177.32 1p4m n MET 90 N 3.29 3.30 -3.64 2.79 2.81 -0.25 -4.77 117.12 120.64 1p4m n MET 90 Ca -0.12 -3.45 -0.09 0.00 -1.81 0.00 0.00 57.70 52.23 1p4m n MET 90 Cb 0.52 -3.18 -0.07 0.00 -0.71 0.00 0.00 33.22 29.78 1p4m n MET 90 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1p4m s HIS 91 N 2.31 -0.74 -0.33 2.03 5.04 -1.26 -4.47 115.29 117.86 1p4m s HIS 91 Ca 0.46 1.65 -0.25 0.00 -1.54 0.00 0.00 55.06 55.38 1p4m s HIS 91 Cb 0.04 0.40 0.01 0.00 0.04 0.00 0.00 32.58 33.06 1p4m s HIS 91 CO 0.01 -0.36 0.88 0.99 -2.34 0.00 0.00 174.74 173.92 1p4m s THR 92 N 0.79 4.67 0.03 0.89 2.01 -1.26 -5.04 115.64 117.73 1p4m s THR 92 Ca -0.03 1.25 -0.12 0.00 0.31 0.00 0.00 61.69 63.10 1p4m s THR 92 Cb -0.05 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 1p4m s THR 92 CO -0.09 -0.40 0.39 -0.36 -0.69 0.00 0.00 174.62 173.47 1p4m s PHE 93 N 3.26 3.65 0.11 4.92 0.40 -1.26 -4.99 117.98 124.07 1p4m s PHE 93 Ca 0.36 0.87 0.14 0.00 -0.60 0.00 0.00 56.93 57.71 1p4m s PHE 93 Cb -0.13 -2.21 0.34 0.00 0.51 0.00 0.00 43.02 41.53 1p4m s PHE 93 CO 0.15 0.59 1.58 -0.22 0.70 0.00 0.00 175.22 178.02 1p4m h LYS 94 N 4.25 0.00 -3.57 0.44 3.64 -2.07 -3.46 116.57 115.80 1p4m h LYS 94 Ca -0.51 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.83 1p4m h LYS 94 Cb 1.21 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 1p4m h LYS 94 CO 0.64 0.55 -0.09 -1.83 -2.27 0.00 0.00 179.45 176.44 1p4m s GLU 95 N -3.33 1.47 0.94 1.90 -1.05 -1.26 -5.16 118.70 112.21 1p4m s GLU 95 Ca 0.01 -1.14 -0.11 0.00 -0.15 0.00 0.00 54.97 53.58 1p4m s GLU 95 Cb 0.10 0.48 0.16 0.00 -0.44 0.00 0.00 34.13 34.43 1p4m s GLU 95 CO 0.74 -0.61 1.09 -0.51 0.95 0.00 0.00 175.26 176.92 1p4m s ASP 96 N -2.97 2.95 -0.28 0.83 1.01 -1.26 -5.00 116.67 111.95 1p4m s ASP 96 Ca 0.18 1.72 0.19 0.00 0.71 0.00 0.00 52.55 55.35 1p4m s ASP 96 Cb -0.01 -2.34 0.49 0.00 1.01 0.00 0.00 42.92 42.07 1p4m s ASP 96 CO 0.05 -3.00 1.11 2.22 0.21 0.00 0.00 175.17 175.76 1p4m n PHE 97 N -4.14 1.61 -1.73 4.23 1.16 -1.26 -5.08 117.46 112.25 1p4m n PHE 97 Ca 0.08 -2.26 -0.42 0.00 -1.87 0.00 0.00 57.45 52.98 1p4m n PHE 97 Cb 0.54 -0.26 -0.01 0.00 -1.61 0.00 0.00 39.48 38.13 1p4m n PHE 97 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1p4m n TYR 98 N -0.56 2.64 0.00 2.97 4.01 -1.26 -2.31 117.16 122.65 1p4m n TYR 98 Ca 0.15 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.25 1p4m n TYR 98 Cb 0.83 -2.53 0.00 0.00 -0.31 0.00 0.00 39.34 37.33 1p4m n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1p4m n GLY 99 N 1.77 2.92 3.86 2.72 0.00 0.53 -4.93 105.19 112.06 1p4m n GLY 99 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1p4m n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p4m s GLU 100 N -0.43 2.84 -0.19 1.61 0.41 -0.98 -4.56 118.70 117.41 1p4m s GLU 100 Ca 0.00 0.56 -0.20 0.00 -0.41 0.00 0.00 54.97 54.92 1p4m s GLU 100 Cb 0.00 -2.01 -0.03 0.00 -1.78 0.00 0.00 34.13 30.31 1p4m s GLU 100 CO 0.00 -1.07 0.59 0.42 -0.49 0.00 0.00 175.26 174.71 1p4m s ILE 101 N -3.28 5.06 -0.20 -1.63 -1.09 -1.26 -1.28 121.20 117.52 1p4m s ILE 101 Ca 0.58 1.11 -0.15 0.00 -2.23 0.00 0.00 60.65 59.96 1p4m s ILE 101 Cb -0.12 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1p4m s ILE 101 CO 0.53 0.15 0.37 -0.22 -1.23 0.00 0.00 174.94 174.53 1p4m s LEU 102 N 1.70 4.17 -0.24 2.97 2.96 0.51 -0.55 118.68 130.19 1p4m s LEU 102 Ca 0.28 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 54.59 1p4m s LEU 102 Cb -0.16 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1p4m s LEU 102 CO 0.10 -0.04 0.11 0.20 -1.32 0.00 0.00 176.35 175.41 1p4m s ASN 103 N 0.96 5.59 0.01 3.68 0.01 0.05 -1.88 114.94 123.36 1p4m s ASN 103 Ca 0.18 -0.06 0.05 0.00 -0.71 0.00 0.00 52.86 52.32 1p4m s ASN 103 Cb -0.14 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 1p4m s ASN 103 CO 0.07 0.02 -0.15 0.68 -1.51 0.00 0.00 177.10 176.21 1p4m s VAL 104 N 1.33 1.21 -0.26 1.60 -7.23 0.59 -1.47 120.40 116.16 1p4m s VAL 104 Ca 0.06 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.41 1p4m s VAL 104 Cb -0.15 -1.04 0.06 0.00 0.56 0.00 0.00 36.38 35.80 1p4m s VAL 104 CO 0.05 0.19 -0.09 0.00 -0.31 0.00 0.00 175.10 174.94 1p4m s ALA 105 N -0.59 2.60 -0.30 1.32 0.00 -0.03 -1.31 121.76 123.45 1p4m s ALA 105 Ca 0.04 -1.73 -0.19 0.00 0.00 0.00 0.00 51.96 50.08 1p4m s ALA 105 Cb -0.07 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 1p4m s ALA 105 CO 0.00 -1.16 0.57 0.42 0.00 0.00 0.00 175.76 175.59 1p4m s ILE 106 N 1.14 4.99 -0.10 0.00 1.01 0.67 -1.22 121.20 127.70 1p4m s ILE 106 Ca -0.07 0.74 0.11 0.00 0.00 0.00 0.00 60.65 61.43 1p4m s ILE 106 Cb -0.20 -3.94 -0.16 0.00 0.01 0.00 0.00 42.46 38.18 1p4m s ILE 106 CO -0.05 -0.09 0.09 1.33 0.00 0.00 0.00 174.94 176.22 1p4m n VAL 107 N 5.33 0.66 -3.75 2.92 0.24 -0.11 -0.86 118.33 122.77 1p4m n VAL 107 Ca -0.03 -0.47 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 1p4m n VAL 107 Cb 0.49 -0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 32.31 1p4m n VAL 107 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1p4m s GLY 108 N -4.29 -0.04 -0.17 7.63 0.00 -0.96 -4.68 107.32 104.81 1p4m s GLY 108 Ca -0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 44.72 44.28 1p4m s GLY 108 CO 0.51 -0.41 0.07 -0.47 0.00 0.00 0.00 173.10 172.80 1p4m s TYR 109 N -3.87 3.29 -0.18 1.90 5.04 -1.26 -1.02 117.35 121.24 1p4m s TYR 109 Ca 0.08 0.15 -0.15 0.00 -2.44 0.00 0.00 57.07 54.71 1p4m s TYR 109 Cb 0.01 -2.05 -0.08 0.00 0.35 0.00 0.00 41.96 40.19 1p4m s TYR 109 CO -0.06 0.24 -0.20 1.28 -1.34 0.00 0.00 175.55 175.47 1p4m n LEU 110 N 3.30 1.88 -3.45 6.97 4.77 0.11 -4.95 117.00 125.63 1p4m n LEU 110 Ca -0.17 0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 1p4m n LEU 110 Cb 0.52 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 1p4m n LEU 110 CO 0.35 -0.14 0.51 0.00 -1.33 0.00 0.00 177.39 176.78 1p4m s ARG 111 N -2.52 1.10 0.97 3.23 1.70 -1.16 -5.00 118.95 117.26 1p4m s ARG 111 Ca -0.25 -0.39 -0.12 0.00 -0.47 0.00 0.00 55.73 54.50 1p4m s ARG 111 Cb 0.05 0.51 0.17 0.00 -0.57 0.00 0.00 34.95 35.11 1p4m s ARG 111 CO 0.38 -0.48 1.08 -1.25 -1.08 0.00 0.00 175.30 173.96 1p4m s PRO 112 N -3.46 0.65 0.65 3.89 0.04 -1.26 -0.63 135.00 134.89 1p4m s PRO 112 Ca 0.02 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 61.71 1p4m s PRO 112 Cb -0.01 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.79 1p4m s PRO 112 CO -0.11 -2.65 1.15 -1.21 0.04 0.00 0.00 177.00 174.22 1p4m s GLU 113 N -4.83 2.72 0.08 4.56 2.02 -1.26 -4.63 118.70 117.34 1p4m s GLU 113 Ca 0.65 1.57 0.02 0.00 0.02 0.00 0.00 54.97 57.24 1p4m s GLU 113 Cb -0.20 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 1p4m s GLU 113 CO 0.59 -1.35 -0.07 0.15 0.02 0.00 0.00 175.26 174.59 1p4m s LYS 114 N -3.84 0.72 -0.12 1.61 1.02 -1.26 -5.03 119.74 112.84 1p4m s LYS 114 Ca 0.71 -1.11 -0.14 0.00 0.02 0.00 0.00 55.97 55.45 1p4m s LYS 114 Cb -0.24 -0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 36.75 1p4m s LYS 114 CO 0.39 0.02 0.32 -0.80 -0.92 0.00 0.00 175.35 174.36 1p4m s ASN 115 N -2.45 6.53 0.08 2.83 0.01 -1.26 -5.09 114.94 115.59 1p4m s ASN 115 Ca 0.03 0.62 0.07 0.00 -0.71 0.00 0.00 52.86 52.87 1p4m s ASN 115 Cb -0.01 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1p4m s ASN 115 CO -0.02 0.16 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.24 1p4m s PHE 116 N 0.03 2.68 -2.53 2.20 0.08 -1.26 -5.03 117.98 114.15 1p4m s PHE 116 Ca 0.19 -0.18 0.24 0.00 0.12 0.00 0.00 56.93 57.29 1p4m s PHE 116 Cb -0.14 -1.45 0.65 0.00 -0.57 0.00 0.00 43.02 41.51 1p4m s PHE 116 CO 0.06 0.37 1.51 -0.40 -0.10 0.00 0.00 175.22 176.66 1p4m n ASP 117 N 1.05 2.27 -3.62 1.36 5.68 -1.26 -4.95 116.55 117.09 1p4m n ASP 117 Ca -0.15 -1.77 -0.08 0.00 -0.50 0.00 0.00 54.79 52.28 1p4m n ASP 117 Cb 0.52 -0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.40 1p4m n ASP 117 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1p4m s SER 118 N -1.75 -0.37 0.29 -1.12 1.04 -1.26 -5.02 113.70 105.50 1p4m s SER 118 Ca 0.34 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.54 1p4m s SER 118 Cb 0.20 0.58 0.43 0.00 0.10 0.00 0.00 66.02 67.32 1p4m s SER 118 CO 0.30 -1.00 1.79 -0.07 0.98 0.00 0.00 173.24 175.25 1p4m h LEU 119 N 2.00 0.65 -0.51 2.42 3.38 -1.99 -1.64 115.31 119.63 1p4m h LEU 119 Ca -0.26 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.63 1p4m h LEU 119 Cb 1.27 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 1p4m h LEU 119 CO 0.30 0.73 0.20 -0.08 0.09 0.00 0.00 178.44 179.68 1p4m h GLU 120 N 0.63 0.37 0.01 1.13 4.81 -1.99 0.11 114.58 119.66 1p4m h GLU 120 Ca 0.13 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.11 1p4m h GLU 120 Cb 0.43 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1p4m h GLU 120 CO 0.02 0.25 -0.95 0.66 -0.73 0.00 0.00 179.01 178.26 1p4m h SER 121 N 0.38 0.49 0.03 1.04 4.64 -1.90 -2.01 113.55 116.22 1p4m h SER 121 Ca 0.24 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1p4m h SER 121 Cb 0.24 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1p4m h SER 121 CO -0.23 1.20 -0.01 0.25 -0.87 0.00 0.00 176.83 177.17 1p4m h LEU 122 N 0.20 -0.03 -0.48 5.97 5.85 -0.97 -0.42 115.31 125.44 1p4m h LEU 122 Ca -0.08 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1p4m h LEU 122 Cb 1.59 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 1p4m h LEU 122 CO 0.16 -0.01 0.07 0.40 -0.34 0.00 0.00 178.44 178.72 1p4m h ILE 123 N -0.05 1.25 -0.91 4.05 2.04 -0.73 -1.45 117.51 121.72 1p4m h ILE 123 Ca -0.00 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 64.94 1p4m h ILE 123 Cb 0.04 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1p4m h ILE 123 CO 0.01 0.33 0.60 -1.28 0.00 0.00 0.00 178.15 177.81 1p4m h SER 124 N 0.67 1.04 -0.13 1.72 0.87 -1.31 -1.69 113.55 114.71 1p4m h SER 124 Ca 0.14 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1p4m h SER 124 Cb 0.40 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1p4m h SER 124 CO 0.01 0.75 0.08 0.00 -0.53 0.00 0.00 176.83 177.14 1p4m h ALA 125 N 1.34 0.17 -0.34 6.23 0.00 -0.42 -0.80 119.26 125.43 1p4m h ALA 125 Ca 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1p4m h ALA 125 Cb -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1p4m h ALA 125 CO -0.08 -0.32 0.21 0.82 0.00 0.00 0.00 179.25 179.88 1p4m h ILE 126 N 0.15 1.11 -0.89 0.00 2.04 -1.03 0.09 117.51 118.99 1p4m h ILE 126 Ca 0.05 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1p4m h ILE 126 Cb 0.02 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 1p4m h ILE 126 CO -0.01 0.11 0.57 1.56 0.00 0.00 0.00 178.15 180.38 1p4m h GLN 127 N 0.45 1.06 -0.50 2.37 4.20 -1.19 -0.26 115.11 121.24 1p4m h GLN 127 Ca 0.12 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1p4m h GLN 127 Cb -0.01 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1p4m h GLN 127 CO -0.02 0.70 -0.07 0.78 -0.67 0.00 0.00 178.83 179.55 1p4m h GLY 128 N 1.09 0.97 0.98 3.46 0.00 -0.31 -1.23 103.07 108.02 1p4m h GLY 128 Ca 0.36 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1p4m h GLY 128 CO -0.13 0.67 0.20 -0.55 0.00 0.00 0.00 176.54 176.73 1p4m h ASP 129 N 0.81 0.41 -0.19 0.19 3.32 -0.36 0.19 116.42 120.79 1p4m h ASP 129 Ca 0.14 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1p4m h ASP 129 Cb 0.58 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1p4m h ASP 129 CO 0.04 0.35 0.06 0.40 -1.72 0.00 0.00 179.24 178.37 1p4m h ILE 130 N 0.44 0.95 -0.57 0.35 2.04 -0.84 0.14 117.51 120.03 1p4m h ILE 130 Ca 0.12 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 1p4m h ILE 130 Cb 0.02 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1p4m h ILE 130 CO -0.02 0.03 0.17 -0.33 0.00 0.00 0.00 178.15 177.99 1p4m h GLU 131 N 0.15 0.89 -0.53 2.37 4.39 -1.03 -1.22 114.58 119.61 1p4m h GLU 131 Ca 0.08 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1p4m h GLU 131 Cb 0.05 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1p4m h GLU 131 CO -0.08 0.81 0.23 1.49 -1.16 0.00 0.00 179.01 180.30 1p4m h GLU 132 N 0.80 0.78 -0.53 2.33 4.57 -0.74 -2.84 114.58 118.94 1p4m h GLU 132 Ca 0.18 -0.13 0.06 0.00 -1.18 0.00 0.00 59.36 58.29 1p4m h GLU 132 Cb 0.30 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 1p4m h GLU 132 CO -0.00 0.67 0.25 0.00 -1.18 0.00 0.00 179.01 178.74 1p4m h ALA 133 N 1.07 0.68 -0.93 2.92 0.00 -0.32 -1.63 119.26 121.05 1p4m h ALA 133 Ca 0.18 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1p4m h ALA 133 Cb 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1p4m h ALA 133 CO -0.02 -0.11 0.60 0.87 0.00 0.00 0.00 179.25 180.59 1p4m h LYS 134 N 0.48 1.07 -0.18 0.00 1.57 -1.07 -0.85 116.57 117.59 1p4m h LYS 134 Ca 0.24 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1p4m h LYS 134 Cb 0.19 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1p4m h LYS 134 CO -0.19 0.71 -0.12 0.87 -0.57 0.00 0.00 179.45 180.15 1p4m h LYS 135 N 1.11 0.40 -0.03 3.15 1.57 -1.18 -3.22 116.57 118.37 1p4m h LYS 135 Ca 0.39 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1p4m h LYS 135 Cb 0.11 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1p4m h LYS 135 CO -0.13 0.73 -0.39 0.00 -0.57 0.00 0.00 179.45 179.09 1p4m h ARG 136 N 0.08 0.07 0.00 3.15 3.08 -0.82 -2.32 114.38 117.61 1p4m h ARG 136 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1p4m h ARG 136 Cb 0.63 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1p4m h ARG 136 CO 0.03 0.45 0.00 1.28 -1.07 0.00 0.00 179.97 180.66 1p4m n LEU 137 N -4.07 0.00 0.02 3.04 4.77 -0.37 -2.07 117.00 118.32 1p4m n LEU 137 Ca -0.02 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 1p4m n LEU 137 Cb 0.43 -0.48 0.48 0.00 -2.33 0.00 0.00 43.42 41.53 1p4m n LEU 137 CO 0.40 -0.17 0.81 -0.62 -1.33 0.00 0.00 177.39 176.48 1p4m n GLU 138 N -1.48 0.06 -2.14 3.23 -0.58 -0.87 -2.99 120.64 115.87 1p4m n GLU 138 Ca 0.05 0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.42 1p4m n GLU 138 Cb 0.21 -1.56 -0.02 0.00 -0.57 0.00 0.00 31.44 29.50 1p4m n GLU 138 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1p4m s LEU 139 N -3.32 4.42 0.35 -4.62 1.43 -0.88 -4.72 118.68 111.33 1p4m s LEU 139 Ca 0.12 2.58 0.10 0.00 -1.03 0.00 0.00 54.13 55.91 1p4m s LEU 139 Cb 0.17 -3.63 0.87 0.00 0.03 0.00 0.00 46.19 43.63 1p4m s LEU 139 CO 0.59 -0.56 1.81 -0.65 0.23 0.00 0.00 176.35 177.77 1p4m h PRO 140 N 4.40 0.62 0.00 1.29 0.11 -1.90 0.77 132.00 137.29 1p4m h PRO 140 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1p4m h PRO 140 Cb 1.22 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1p4m h PRO 140 CO 0.72 0.41 -0.02 1.05 -0.21 0.00 0.00 178.00 179.95 1p4m h GLU 141 N 0.63 0.00 0.00 1.05 4.11 -1.95 -3.00 114.58 115.43 1p4m h GLU 141 Ca 0.53 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.65 1p4m h GLU 141 Cb 0.99 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 1p4m h GLU 141 CO -0.29 0.02 -2.18 0.66 0.07 0.00 0.00 179.01 177.29 1p4m n TYR 142 N -3.16 0.00 -0.28 2.06 4.01 -0.04 -4.48 117.16 115.27 1p4m n TYR 142 Ca -0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.80 1p4m n TYR 142 Cb 0.20 -0.82 0.30 0.00 -0.31 0.00 0.00 39.34 38.71 1p4m n TYR 142 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1p4m h LEU 143 N 0.00 0.80 -1.95 7.72 5.85 -0.84 -1.78 115.31 125.10 1p4m h LEU 143 Ca -0.46 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1p4m h LEU 143 Cb 1.87 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 1p4m h LEU 143 CO -0.03 0.47 -0.10 0.07 -0.34 0.00 0.00 178.44 178.51 1p4m h LYS 144 N 0.89 0.00 0.00 1.25 2.10 -1.75 -2.77 116.57 116.29 1p4m h LYS 144 Ca 0.41 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1p4m h LYS 144 Cb 0.39 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1p4m h LYS 144 CO -0.17 0.10 -0.00 0.82 -2.00 0.00 0.00 179.45 178.20 1p4m h ILE 145 N 0.00 0.00 -0.21 0.07 2.04 -1.56 -1.35 117.51 116.51 1p4m h ILE 145 Ca -0.00 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.40 1p4m h ILE 145 Cb 0.32 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1p4m h ILE 145 CO 0.01 0.00 0.16 0.50 0.00 0.00 0.00 178.15 178.83 1p4m h LYS 146 N 0.00 0.00 -0.33 2.37 3.64 -1.62 -1.38 116.57 119.24 1p4m h LYS 146 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1p4m h LYS 146 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1p4m h LYS 146 CO 0.00 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 1p4m n GLU 147 N -4.31 2.24 -1.80 1.90 -0.58 -0.51 -4.87 120.64 112.71 1p4m n GLU 147 Ca 0.02 -1.87 -0.38 0.00 -0.42 0.00 0.00 57.16 54.50 1p4m n GLU 147 Cb 0.30 -1.47 0.04 0.00 -0.57 0.00 0.00 31.44 29.74 1p4m n GLU 147 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1p4m s ASP 148 N -1.47 5.30 0.61 1.62 -1.08 -0.52 -4.84 116.67 116.29 1p4m s ASP 148 Ca 0.36 2.75 0.32 0.00 -0.52 0.00 0.00 52.55 55.47 1p4m s ASP 148 Cb 0.21 -2.63 1.88 0.00 -1.46 0.00 0.00 42.92 40.92 1p4m s ASP 148 CO 0.29 -1.55 2.22 0.78 0.52 0.00 0.00 175.17 177.43 1p4m h ASN 149 N 1.49 0.00 -0.70 -0.34 2.35 -1.93 -1.35 115.58 115.09 1p4m h ASN 149 Ca -0.51 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.39 1p4m h ASN 149 Cb 1.30 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.55 1p4m h ASN 149 CO 0.57 0.00 0.01 0.15 -1.65 0.00 0.00 177.43 176.51 1p4m h PHE 150 N 0.00 -0.04 0.00 1.19 3.57 -1.94 0.70 116.94 120.42 1p4m h PHE 150 Ca 0.02 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.40 1p4m h PHE 150 Cb 0.17 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1p4m h PHE 150 CO 0.00 -0.20 -0.86 0.74 -2.23 0.00 0.00 178.31 175.76 1p4m h PHE 151 N 0.12 0.00 -0.15 0.41 0.04 -1.58 -3.31 116.94 112.47 1p4m h PHE 151 Ca 0.37 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.05 1p4m h PHE 151 Cb 0.63 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1p4m h PHE 151 CO -0.39 0.86 -0.32 1.96 -0.60 0.00 0.00 178.31 179.81 1p4m h GLN 152 N 0.00 0.29 -0.82 1.51 7.50 -0.86 -3.01 115.11 119.72 1p4m h GLN 152 Ca -0.01 -0.12 0.04 0.00 0.50 0.00 0.00 58.65 59.07 1p4m h GLN 152 Cb 1.52 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 28.98 1p4m h GLN 152 CO 0.11 0.59 0.54 -0.24 -1.50 0.00 0.00 178.83 178.33 1p4m h VAL 153 N 0.26 1.11 0.00 -0.54 3.04 -1.04 -2.37 116.25 116.72 1p4m h VAL 153 Ca 0.03 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1p4m h VAL 153 Cb 0.69 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 1p4m h VAL 153 CO 0.05 0.18 0.00 0.28 -1.01 0.00 0.00 177.57 177.07 1p4m h SER 154 N 0.99 0.00 -0.03 3.17 0.02 -1.66 -3.52 113.55 112.52 1p4m h SER 154 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1p4m h SER 154 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1p4m h SER 154 CO -0.10 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.88