#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1inn s VAL 7 N 0.00 4.19 0.44 3.44 1.01 -1.26 -4.98 120.40 123.24 1inn s VAL 7 Ca 0.00 -0.90 0.20 0.00 0.00 0.00 0.00 61.98 61.28 1inn s VAL 7 Cb 0.00 -3.31 0.40 0.00 0.00 0.00 0.00 36.38 33.47 1inn s VAL 7 CO 0.00 -0.14 1.86 -0.33 0.00 0.00 0.00 175.10 176.49 1inn h GLU 8 N 8.32 0.33 -0.98 2.72 5.08 -2.02 -2.23 114.58 125.81 1inn h GLU 8 Ca -0.26 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.25 1inn h GLU 8 Cb 1.10 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.19 1inn h GLU 8 CO 0.63 0.22 0.61 0.77 -1.00 0.00 0.00 179.01 180.24 1inn h SER 9 N 0.34 0.75 0.57 1.42 0.02 -1.94 -0.99 113.55 113.72 1inn h SER 9 Ca 0.47 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 1inn h SER 9 Cb 1.27 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1inn h SER 9 CO -0.16 0.32 0.00 0.49 -1.14 0.00 0.00 176.83 176.34 1inn n PHE 10 N -4.66 0.25 0.96 3.45 0.99 -0.84 -3.09 117.46 114.53 1inn n PHE 10 Ca 0.21 0.10 0.13 0.00 -0.00 0.00 0.00 57.45 57.89 1inn n PHE 10 Cb 0.52 -0.66 0.39 0.00 -1.00 0.00 0.00 39.48 38.73 1inn n PHE 10 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1inn n ASP 11 N -1.73 0.33 -4.73 4.37 10.43 -0.37 -4.84 116.55 120.00 1inn n ASP 11 Ca 0.03 0.09 -0.41 0.00 2.57 0.00 0.00 54.79 57.07 1inn n ASP 11 Cb 0.19 -0.08 -0.04 0.00 1.84 0.00 0.00 41.12 43.03 1inn n ASP 11 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1inn s LEU 12 N -3.13 4.50 -0.80 0.64 2.96 -1.18 -0.84 118.68 120.83 1inn s LEU 12 Ca 0.12 1.83 -0.24 0.00 -0.22 0.00 0.00 54.13 55.62 1inn s LEU 12 Cb 0.18 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.34 1inn s LEU 12 CO 0.63 -0.08 1.20 -0.62 -1.32 0.00 0.00 176.35 176.16 1inn s ASP 13 N -0.01 6.29 0.27 3.68 -1.08 0.13 -4.77 116.67 121.20 1inn s ASP 13 Ca 0.47 -1.02 0.21 0.00 -0.52 0.00 0.00 52.55 51.69 1inn s ASP 13 Cb -0.24 -2.50 1.03 0.00 -1.46 0.00 0.00 42.92 39.75 1inn s ASP 13 CO 0.30 -1.56 1.64 1.41 0.52 0.00 0.00 175.17 177.48 1inn n HIS 14 N 8.43 0.70 0.52 -5.34 8.25 -1.26 -1.95 115.22 124.57 1inn n HIS 14 Ca 0.10 0.33 0.12 0.00 -0.26 0.00 0.00 57.72 58.01 1inn n HIS 14 Cb 0.48 -1.03 0.23 0.00 1.12 0.00 0.00 29.99 30.80 1inn n HIS 14 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1inn h THR 15 N 0.00 0.00 0.00 1.59 1.35 -1.94 -3.36 112.91 110.55 1inn h THR 15 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1inn h THR 15 Cb 0.13 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1inn h THR 15 CO 0.00 0.00 -1.33 0.29 -0.25 0.00 0.00 175.52 174.23 1inn n LYS 16 N -2.30 0.34 -1.61 4.72 4.76 -0.82 -4.97 118.16 118.28 1inn n LYS 16 Ca 0.04 -0.06 -0.30 0.00 -2.87 0.00 0.00 58.31 55.12 1inn n LYS 16 Cb 0.45 -1.55 0.07 0.00 -1.84 0.00 0.00 35.03 32.16 1inn n LYS 16 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1inn s VAL 17 N -3.25 3.42 -0.39 -0.18 -7.23 -1.24 -5.05 120.40 106.48 1inn s VAL 17 Ca 0.01 0.46 0.01 0.00 -1.81 0.00 0.00 61.98 60.65 1inn s VAL 17 Cb 0.15 -3.24 0.12 0.00 0.56 0.00 0.00 36.38 33.96 1inn s VAL 17 CO 0.85 -0.60 0.18 -0.54 -0.31 0.00 0.00 175.10 174.68 1inn s LYS 18 N -5.15 1.11 0.63 4.82 -0.14 -1.26 -4.96 119.74 114.79 1inn s LYS 18 Ca 0.60 -1.70 -0.15 0.00 -1.36 0.00 0.00 55.97 53.35 1inn s LYS 18 Cb -0.14 -2.28 -0.01 0.00 -1.68 0.00 0.00 37.83 33.72 1inn s LYS 18 CO 0.54 -1.09 1.09 0.00 -0.76 0.00 0.00 175.35 175.13 1inn s ALA 19 N 0.79 2.58 0.42 5.17 0.00 -1.26 -4.41 121.76 125.05 1inn s ALA 19 Ca 0.15 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1inn s ALA 19 Cb -0.22 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 1inn s ALA 19 CO -0.08 -1.09 0.81 -1.25 0.00 0.00 0.00 175.76 174.15 1inn s PRO 20 N -4.09 3.84 0.31 0.00 0.04 -1.26 -4.83 135.00 129.01 1inn s PRO 20 Ca 0.66 0.59 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 1inn s PRO 20 Cb -0.19 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 32.05 1inn s PRO 20 CO 0.40 -0.06 0.78 1.52 0.04 0.00 0.00 177.00 179.68 1inn s TYR 21 N -2.37 -0.05 -0.05 0.56 -0.85 -0.68 -3.90 117.35 110.01 1inn s TYR 21 Ca 0.53 -0.49 0.06 0.00 -0.52 0.00 0.00 57.07 56.65 1inn s TYR 21 Cb -0.10 0.76 -0.01 0.00 0.38 0.00 0.00 41.96 42.99 1inn s TYR 21 CO 0.29 -1.34 -0.23 0.08 -1.52 0.00 0.00 175.55 172.84 1inn s VAL 22 N -3.14 1.90 -0.08 -3.49 1.01 -0.88 -1.18 120.40 114.55 1inn s VAL 22 Ca 0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1inn s VAL 22 Cb -0.05 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.75 1inn s VAL 22 CO 0.08 0.53 0.18 -0.60 0.00 0.00 0.00 175.10 175.29 1inn s ARG 23 N -0.11 0.14 -0.21 2.72 3.52 -0.21 -1.23 118.95 123.57 1inn s ARG 23 Ca -0.04 0.39 -0.29 0.00 -0.13 0.00 0.00 55.73 55.66 1inn s ARG 23 Cb -0.13 -0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.12 1inn s ARG 23 CO 0.03 -0.14 1.60 -1.17 -0.81 0.00 0.00 175.30 174.82 1inn s LEU 24 N 0.98 3.93 -0.02 -0.88 2.96 -1.26 0.21 118.68 124.60 1inn s LEU 24 Ca -0.07 1.65 0.15 0.00 -0.22 0.00 0.00 54.13 55.64 1inn s LEU 24 Cb -0.09 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 42.87 1inn s LEU 24 CO -0.05 -1.22 0.67 0.00 -1.32 0.00 0.00 176.35 174.43 1inn n ALA 25 N 8.30 1.68 -3.61 5.97 0.00 0.52 -4.86 120.51 128.50 1inn n ALA 25 Ca 0.18 -0.72 -0.02 0.00 0.00 0.00 0.00 53.44 52.88 1inn n ALA 25 Cb 0.45 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1inn n ALA 25 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1inn s GLY 26 N -5.01 -0.31 -0.02 0.00 0.00 -1.13 -5.00 107.32 95.86 1inn s GLY 26 Ca -0.04 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1inn s GLY 26 CO 0.82 0.46 0.01 0.14 0.00 0.00 0.00 173.10 174.54 1inn s VAL 27 N -2.24 0.06 0.18 1.40 1.01 -1.26 -0.83 120.40 118.72 1inn s VAL 27 Ca 0.12 0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.34 1inn s VAL 27 Cb 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 1inn s VAL 27 CO -0.04 0.11 -0.20 -0.54 0.00 0.00 0.00 175.10 174.43 1inn s LYS 28 N 1.00 1.39 0.02 2.72 1.02 -0.33 -4.95 119.74 120.61 1inn s LYS 28 Ca -0.09 -1.47 0.09 0.00 0.02 0.00 0.00 55.97 54.51 1inn s LYS 28 Cb -0.13 -1.55 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 1inn s LYS 28 CO -0.02 0.32 -0.26 0.99 -0.92 0.00 0.00 175.35 175.46 1inn s THR 29 N -1.94 2.13 0.79 2.17 2.01 -1.26 0.30 115.64 119.83 1inn s THR 29 Ca 0.18 -1.30 -0.12 0.00 0.31 0.00 0.00 61.69 60.77 1inn s THR 29 Cb -0.06 -1.80 0.06 0.00 0.01 0.00 0.00 72.50 70.71 1inn s THR 29 CO 0.08 0.44 1.15 0.42 -0.69 0.00 0.00 174.62 176.02 1inn s THR 30 N -0.74 2.42 0.40 -0.82 -4.23 -0.11 -4.90 115.64 107.66 1inn s THR 30 Ca 0.11 0.14 0.13 0.00 -1.18 0.00 0.00 61.69 60.89 1inn s THR 30 Cb -0.10 -3.12 0.35 0.00 1.34 0.00 0.00 72.50 70.96 1inn s THR 30 CO 0.01 -0.18 1.90 -0.65 -0.54 0.00 0.00 174.62 175.16 1inn h PRO 31 N -0.97 0.50 -0.00 3.99 0.11 -2.00 -1.06 132.00 132.56 1inn h PRO 31 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1inn h PRO 31 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1inn h PRO 31 CO 0.65 0.33 -0.10 1.63 -0.21 0.00 0.00 178.00 180.30 1inn n LYS 32 N -4.51 0.47 0.00 1.05 5.02 -1.26 -4.93 118.16 114.00 1inn n LYS 32 Ca 0.16 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1inn n LYS 32 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1inn n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1inn n GLY 33 N 1.33 0.92 3.74 0.72 0.00 -0.40 -5.09 105.19 106.40 1inn n GLY 33 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1inn n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1inn s ASP 34 N -1.71 7.56 -0.01 1.61 1.01 -1.26 -4.76 116.67 119.11 1inn s ASP 34 Ca 0.00 1.95 -0.19 0.00 0.71 0.00 0.00 52.55 55.02 1inn s ASP 34 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1inn s ASP 34 CO 0.00 0.06 0.54 -1.10 0.21 0.00 0.00 175.17 174.88 1inn s GLN 35 N -0.87 4.24 -0.30 8.23 -0.21 -1.26 -0.94 119.66 128.55 1inn s GLN 35 Ca 0.43 0.63 -0.00 0.00 0.02 0.00 0.00 55.36 56.44 1inn s GLN 35 Cb -0.26 -3.32 0.06 0.00 1.00 0.00 0.00 33.01 30.48 1inn s GLN 35 CO 0.32 0.43 -0.02 0.42 -2.12 0.00 0.00 175.29 174.32 1inn s ILE 36 N -0.34 2.78 -0.10 1.08 -1.09 0.15 -0.67 121.20 123.01 1inn s ILE 36 Ca 0.29 -1.51 -0.11 0.00 -2.23 0.00 0.00 60.65 57.09 1inn s ILE 36 Cb -0.18 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 1inn s ILE 36 CO 0.16 -0.13 0.25 -0.44 -1.23 0.00 0.00 174.94 173.55 1inn s SER 37 N 1.23 6.51 -0.10 3.58 0.01 0.04 -1.19 113.70 123.79 1inn s SER 37 Ca -0.05 0.60 0.02 0.00 1.31 0.00 0.00 55.95 57.83 1inn s SER 37 Cb -0.20 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1inn s SER 37 CO -0.02 0.30 -0.16 -0.54 0.41 0.00 0.00 173.24 173.22 1inn s LYS 38 N -0.59 3.00 -0.00 12.44 1.02 -0.01 0.27 119.74 135.87 1inn s LYS 38 Ca 0.17 -0.74 0.08 0.00 0.02 0.00 0.00 55.97 55.50 1inn s LYS 38 Cb -0.13 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1inn s LYS 38 CO 0.06 0.34 -0.24 0.71 -0.92 0.00 0.00 175.35 175.30 1inn s TYR 39 N -0.00 2.40 -0.46 3.18 2.02 -1.26 -0.36 117.35 122.87 1inn s TYR 39 Ca -0.05 -0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.10 1inn s TYR 39 Cb -0.14 -1.48 0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1inn s TYR 39 CO 0.04 0.06 0.48 0.34 -1.57 0.00 0.00 175.55 174.91 1inn s ASP 40 N -0.87 6.19 -0.58 2.29 -1.08 0.13 -4.34 116.67 118.41 1inn s ASP 40 Ca 0.11 -0.90 -0.14 0.00 -0.52 0.00 0.00 52.55 51.10 1inn s ASP 40 Cb -0.10 -2.23 0.14 0.00 -1.46 0.00 0.00 42.92 39.27 1inn s ASP 40 CO 0.01 -0.69 0.51 -0.76 0.52 0.00 0.00 175.17 174.76 1inn s LEU 41 N 2.16 6.16 -0.31 -1.34 1.43 -1.26 -1.04 118.68 124.47 1inn s LEU 41 Ca 0.11 -2.00 -0.16 0.00 -1.03 0.00 0.00 54.13 51.05 1inn s LEU 41 Cb -0.19 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1inn s LEU 41 CO 0.11 -0.76 0.39 -0.60 0.23 0.00 0.00 176.35 175.72 1inn s ARG 42 N 1.25 3.78 -0.17 1.70 6.06 -0.32 -4.42 118.95 126.83 1inn s ARG 42 Ca 0.07 -0.17 -0.25 0.00 -2.50 0.00 0.00 55.73 52.87 1inn s ARG 42 Cb -0.26 -3.74 -0.22 0.00 0.06 0.00 0.00 34.95 30.79 1inn s ARG 42 CO -0.00 -0.43 0.51 0.74 -2.50 0.00 0.00 175.30 173.62 1inn h PHE 43 N 8.33 0.00 -3.21 5.12 0.04 -1.30 -1.80 116.94 124.12 1inn h PHE 43 Ca -0.30 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 59.83 1inn h PHE 43 Cb 1.15 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.15 1inn h PHE 43 CO 0.73 1.19 -0.73 -0.51 -0.60 0.00 0.00 178.31 178.38 1inn s LEU 44 N -8.07 2.98 0.13 1.54 1.43 -0.33 -4.34 118.68 112.01 1inn s LEU 44 Ca -0.23 -0.52 -0.31 0.00 -1.03 0.00 0.00 54.13 52.04 1inn s LEU 44 Cb 0.01 -1.71 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 1inn s LEU 44 CO 0.63 0.13 1.54 -1.58 0.23 0.00 0.00 176.35 177.30 1inn s GLN 45 N -2.61 4.24 0.04 1.70 2.00 -1.26 -4.82 119.66 118.95 1inn s GLN 45 Ca 0.23 2.27 -0.37 0.00 -2.00 0.00 0.00 55.36 55.50 1inn s GLN 45 Cb -0.10 -3.29 -0.16 0.00 0.80 0.00 0.00 33.01 30.27 1inn s GLN 45 CO 0.14 -0.59 1.44 -2.30 -0.50 0.00 0.00 175.29 173.48 1inn n PRO 46 N 4.36 1.28 -1.38 1.67 -0.02 -1.26 -2.11 135.00 137.54 1inn n PRO 46 Ca 0.14 0.46 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1inn n PRO 46 Cb 0.40 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1inn n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1inn n ASN 47 N 3.14 -4.69 -0.52 2.55 3.02 -1.26 -4.86 115.26 112.64 1inn n ASN 47 Ca 0.20 0.33 0.06 0.00 -0.03 0.00 0.00 54.58 55.13 1inn n ASN 47 Cb 0.19 -3.35 0.15 0.00 -0.61 0.00 0.00 39.78 36.16 1inn n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1inn n GLN 48 N -2.48 2.72 0.00 3.52 1.13 -0.90 -5.06 117.38 116.31 1inn n GLN 48 Ca -0.13 -2.24 0.00 0.00 -1.94 0.00 0.00 57.00 52.69 1inn n GLN 48 Cb 0.45 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.39 1inn n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1inn n GLY 49 N -0.21 3.78 3.12 1.08 0.00 -1.26 -4.97 105.19 106.73 1inn n GLY 49 Ca 0.13 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 1inn n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1inn s ALA 50 N -2.08 0.71 0.15 4.61 0.00 -1.26 -4.84 121.76 119.04 1inn s ALA 50 Ca 0.00 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.41 1inn s ALA 50 Cb 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.27 1inn s ALA 50 CO 0.00 -0.30 0.94 0.42 0.00 0.00 0.00 175.76 176.82 1inn s ILE 51 N -3.71 4.38 0.34 0.00 1.01 0.33 -5.00 121.20 118.56 1inn s ILE 51 Ca 0.08 2.04 -0.28 0.00 0.00 0.00 0.00 60.65 62.49 1inn s ILE 51 Cb 0.06 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 38.10 1inn s ILE 51 CO -0.07 0.38 1.37 -0.67 0.00 0.00 0.00 174.94 175.94 1inn n ASP 52 N 2.37 3.08 -0.34 3.58 2.03 -1.26 -4.75 116.55 121.26 1inn n ASP 52 Ca 0.01 1.20 0.16 0.00 0.52 0.00 0.00 54.79 56.68 1inn n ASP 52 Cb 0.49 -1.52 0.37 0.00 -0.72 0.00 0.00 41.12 39.74 1inn n ASP 52 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1inn h PRO 53 N 2.93 0.62 -0.38 -0.67 0.11 -1.98 -0.56 132.00 132.08 1inn h PRO 53 Ca -0.47 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1inn h PRO 53 Cb 1.27 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1inn h PRO 53 CO 0.65 0.41 -0.09 0.00 -0.21 0.00 0.00 178.00 178.76 1inn h ALA 54 N 1.67 0.52 -0.53 -0.75 0.00 -1.90 -1.78 119.26 116.49 1inn h ALA 54 Ca 0.60 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1inn h ALA 54 Cb 1.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1inn h ALA 54 CO -0.39 0.38 0.05 0.00 0.00 0.00 0.00 179.25 179.29 1inn h ALA 55 N 0.83 0.71 0.00 0.00 0.00 -1.49 -1.89 119.26 117.42 1inn h ALA 55 Ca 0.09 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1inn h ALA 55 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1inn h ALA 55 CO 0.04 0.48 -0.34 0.97 0.00 0.00 0.00 179.25 180.40 1inn h ILE 56 N 0.79 0.84 -0.36 0.00 2.10 -1.09 -1.00 117.51 118.79 1inn h ILE 56 Ca 0.16 -1.40 -0.10 0.00 1.08 0.00 0.00 64.86 64.60 1inn h ILE 56 Cb 0.46 1.86 -0.01 0.00 -1.09 0.00 0.00 36.82 38.04 1inn h ILE 56 CO 0.02 0.33 -0.15 -0.74 -1.08 0.00 0.00 178.15 176.53 1inn h HIS 57 N 0.00 0.84 -0.50 2.19 2.76 -1.08 -1.11 115.15 118.25 1inn h HIS 57 Ca -0.00 -0.20 -0.11 0.00 -2.20 0.00 0.00 60.37 57.86 1inn h HIS 57 Cb 0.84 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1inn h HIS 57 CO 0.00 0.92 -0.11 1.15 -1.30 0.00 0.00 177.93 178.59 1inn h THR 58 N 0.52 1.27 -0.84 6.26 2.02 -0.93 -2.49 112.91 118.72 1inn h THR 58 Ca 0.08 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 1inn h THR 58 Cb 0.69 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1inn h THR 58 CO 0.05 0.43 0.45 -0.07 0.37 0.00 0.00 175.52 176.76 1inn h LEU 59 N 0.84 1.05 -0.12 2.58 3.38 -0.96 -0.66 115.31 121.41 1inn h LEU 59 Ca 0.13 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1inn h LEU 59 Cb 0.65 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1inn h LEU 59 CO 0.05 0.84 0.04 -0.08 0.09 0.00 0.00 178.44 179.38 1inn h GLU 60 N 1.17 0.09 -0.57 1.13 4.81 -0.92 0.22 114.58 120.52 1inn h GLU 60 Ca 0.30 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1inn h GLU 60 Cb 0.03 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1inn h GLU 60 CO -0.05 0.06 0.34 0.45 -0.73 0.00 0.00 179.01 179.09 1inn h HIS 61 N 0.09 0.75 -0.18 0.92 3.86 -1.00 -2.06 115.15 117.53 1inn h HIS 61 Ca 0.05 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 1inn h HIS 61 Cb 0.03 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1inn h HIS 61 CO -0.11 0.51 -0.38 -0.07 0.86 0.00 0.00 177.93 178.75 1inn h LEU 62 N 0.77 0.65 -0.95 2.43 3.38 -0.87 -3.24 115.31 117.48 1inn h LEU 62 Ca 0.20 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1inn h LEU 62 Cb -0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1inn h LEU 62 CO -0.04 1.08 -0.13 -0.07 0.09 0.00 0.00 178.44 179.37 1inn h LEU 63 N 0.24 0.00 -0.34 1.67 3.38 -0.56 -1.63 115.31 118.06 1inn h LEU 63 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1inn h LEU 63 Cb 0.98 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1inn h LEU 63 CO 0.08 0.13 0.14 0.00 0.09 0.00 0.00 178.44 178.89 1inn h ALA 64 N 1.87 0.41 0.13 1.53 0.00 -1.40 -3.12 119.26 118.68 1inn h ALA 64 Ca -0.00 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1inn h ALA 64 Cb 0.76 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.57 1inn h ALA 64 CO 0.02 -0.25 -0.88 0.78 0.00 0.00 0.00 179.25 178.91 1inn h GLY 65 N 0.29 0.32 -2.36 0.00 0.00 -1.63 -3.28 103.07 96.42 1inn h GLY 65 Ca 0.15 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1inn h GLY 65 CO -0.14 0.72 0.00 -1.72 0.00 0.00 0.00 176.54 175.40 1inn n TYR 66 N -4.11 0.00 0.00 5.60 0.53 -0.62 -1.48 117.16 117.08 1inn n TYR 66 Ca -0.15 -0.17 0.00 0.00 -1.02 0.00 0.00 57.90 56.55 1inn n TYR 66 Cb 0.82 -0.18 0.00 0.00 -1.03 0.00 0.00 39.34 38.95 1inn n TYR 66 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 1inn n ARG 68 N 1.07 0.00 0.17 -0.72 1.74 -1.24 -2.83 116.66 114.85 1inn n ARG 68 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1inn n ARG 68 Cb 0.14 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 31.87 1inn n ARG 68 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1inn h ASP 69 N 0.00 0.00 -0.01 0.55 3.32 -1.58 -3.28 116.42 115.42 1inn h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1inn h ASP 69 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1inn h ASP 69 CO 0.00 0.46 -0.07 1.41 -1.72 0.00 0.00 179.24 179.32 1inn n HIS 70 N -3.92 0.00 -3.77 4.55 8.25 -1.13 -5.00 115.22 114.21 1inn n HIS 70 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1inn n HIS 70 Cb 0.49 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.49 1inn n HIS 70 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1inn s LEU 71 N -1.23 0.83 0.30 2.41 2.96 -1.24 -4.76 118.68 117.95 1inn s LEU 71 Ca 0.13 0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 54.53 1inn s LEU 71 Cb 0.10 0.86 -0.05 0.00 0.50 0.00 0.00 46.19 47.60 1inn s LEU 71 CO 0.19 -0.11 0.55 -1.61 -1.32 0.00 0.00 176.35 174.05 1inn s GLU 72 N 0.46 3.60 -0.14 1.98 2.02 -1.26 -4.38 118.70 120.97 1inn s GLU 72 Ca -0.03 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1inn s GLU 72 Cb -0.04 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1inn s GLU 72 CO -0.02 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1inn n GLY 73 N -1.09 0.51 3.71 -1.39 0.00 -1.26 -4.72 105.19 100.95 1inn n GLY 73 Ca -0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1inn n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1inn s VAL 74 N -1.98 2.69 -0.14 1.61 1.01 -1.26 0.52 120.40 122.85 1inn s VAL 74 Ca 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 1inn s VAL 74 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 1inn s VAL 74 CO 0.00 0.02 0.09 0.58 0.00 0.00 0.00 175.10 175.79 1inn h VAL 75 N 4.33 0.46 -2.22 2.92 2.07 -1.05 -3.47 116.25 119.29 1inn h VAL 75 Ca -0.43 -1.45 0.13 0.00 0.82 0.00 0.00 66.70 65.77 1inn h VAL 75 Cb 1.20 0.98 -0.15 0.00 -1.52 0.00 0.00 31.29 31.81 1inn h VAL 75 CO 0.93 0.16 0.52 1.51 0.02 0.00 0.00 177.57 180.70 1inn s ASP 76 N -6.00 -0.33 -0.17 0.57 -4.77 -1.22 -5.01 116.67 99.74 1inn s ASP 76 Ca -0.14 -0.04 0.01 0.00 -3.30 0.00 0.00 52.55 49.08 1inn s ASP 76 Cb 0.02 0.37 0.03 0.00 -1.09 0.00 0.00 42.92 42.24 1inn s ASP 76 CO 0.31 -0.61 -0.15 -0.69 0.70 0.00 0.00 175.17 174.73 1inn s VAL 77 N -3.08 1.70 0.09 2.11 1.01 -1.26 -2.75 120.40 118.22 1inn s VAL 77 Ca 0.06 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1inn s VAL 77 Cb -0.01 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1inn s VAL 77 CO -0.08 0.42 -0.22 -0.44 0.00 0.00 0.00 175.10 174.78 1inn s SER 78 N 1.42 2.69 0.00 3.32 0.01 0.26 -4.89 113.70 116.51 1inn s SER 78 Ca 0.04 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1inn s SER 78 Cb -0.14 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1inn s SER 78 CO -0.11 0.12 0.00 -0.81 0.41 0.00 0.00 173.24 172.85 1inn n PRO 79 N 1.29 3.82 -0.08 12.44 -0.04 -1.26 -0.44 135.00 150.74 1inn n PRO 79 Ca -0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.19 1inn n PRO 79 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 1inn n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1inn n GLY 81 N 4.56 -0.74 0.00 0.55 0.00 -1.26 -4.78 105.19 103.52 1inn n GLY 81 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1inn n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1inn n ARG 83 N -1.34 -3.99 0.00 0.00 1.74 -1.26 -4.78 116.66 107.03 1inn n ARG 83 Ca 0.09 0.64 0.03 0.00 -0.77 0.00 0.00 57.85 57.85 1inn n ARG 83 Cb 0.20 -5.41 0.01 0.00 -1.02 0.00 0.00 32.46 26.24 1inn n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1inn n THR 84 N -4.16 0.00 0.00 0.55 -2.24 -1.26 -0.51 114.28 106.66 1inn n THR 84 Ca -0.05 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1inn n THR 84 Cb 0.57 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1inn n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1inn n GLY 85 N 0.47 0.81 2.23 3.38 0.00 -1.26 -0.87 105.19 109.94 1inn n GLY 85 Ca 0.03 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1inn n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1inn n TYR 87 N 0.00 -0.81 -3.67 1.61 4.01 0.42 -4.72 117.16 114.00 1inn n TYR 87 Ca 0.00 -1.76 -0.13 0.00 -0.16 0.00 0.00 57.90 55.84 1inn n TYR 87 Cb 0.00 0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 39.23 1inn n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1inn s ALA 89 N -2.68 -1.46 -0.02 -0.72 0.00 -1.11 -0.57 121.76 115.20 1inn s ALA 89 Ca 0.24 1.68 0.02 0.00 0.00 0.00 0.00 51.96 53.89 1inn s ALA 89 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1inn s ALA 89 CO 0.17 -0.28 -0.06 0.08 0.00 0.00 0.00 175.76 175.66 1inn s VAL 90 N 0.35 0.57 -0.49 0.00 1.01 0.14 -0.35 120.40 121.63 1inn s VAL 90 Ca -0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 1inn s VAL 90 Cb -0.04 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1inn s VAL 90 CO 0.00 0.18 0.98 -0.63 0.00 0.00 0.00 175.10 175.64 1inn s ILE 91 N 0.15 4.38 0.00 2.22 1.01 0.18 -0.78 121.20 128.36 1inn s ILE 91 Ca -0.02 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1inn s ILE 91 Cb -0.06 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.90 1inn s ILE 91 CO -0.00 -0.95 0.00 0.61 0.00 0.00 0.00 174.94 174.60 1inn n GLY 92 N 4.96 2.94 3.75 6.18 0.00 0.15 -4.59 105.19 118.58 1inn n GLY 92 Ca 0.07 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 1inn n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1inn s GLU 93 N -2.12 2.36 0.27 1.61 1.03 -1.26 -3.76 118.70 116.82 1inn s GLU 93 Ca 0.00 1.50 -0.31 0.00 0.03 0.00 0.00 54.97 56.20 1inn s GLU 93 Cb 0.00 -1.89 -0.13 0.00 -0.80 0.00 0.00 34.13 31.32 1inn s GLU 93 CO 0.00 -1.61 1.43 -2.30 -1.33 0.00 0.00 175.26 171.45 1inn n PRO 94 N -2.80 2.20 -2.78 -4.83 -0.02 -1.26 -4.93 135.00 120.57 1inn n PRO 94 Ca 0.11 0.78 -0.07 0.00 -2.02 0.00 0.00 63.50 62.31 1inn n PRO 94 Cb 0.51 -2.46 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1inn n PRO 94 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1inn n ASP 95 N 1.97 -3.10 -0.31 2.55 2.03 -1.26 -5.02 116.55 113.42 1inn n ASP 95 Ca 0.10 -3.04 -0.02 0.00 0.52 0.00 0.00 54.79 52.35 1inn n ASP 95 Cb 0.33 1.67 0.15 0.00 -0.72 0.00 0.00 41.12 42.56 1inn n ASP 95 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1inn h GLU 96 N 4.63 1.19 -0.21 -0.67 5.08 -1.98 -1.57 114.58 121.04 1inn h GLU 96 Ca -0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1inn h GLU 96 Cb 1.07 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1inn h GLU 96 CO 0.15 0.81 0.10 0.37 -1.00 0.00 0.00 179.01 179.44 1inn h GLN 97 N 1.22 0.31 -0.49 2.33 5.75 -1.98 -2.89 115.11 119.36 1inn h GLN 97 Ca 0.32 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.70 1inn h GLN 97 Cb -0.09 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 1inn h GLN 97 CO -0.06 0.34 0.00 0.78 -2.65 0.00 0.00 178.83 177.24 1inn h GLY 98 N 0.20 0.89 -2.29 2.39 0.00 -1.94 -2.17 103.07 100.15 1inn h GLY 98 Ca 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1inn h GLY 98 CO -0.01 0.55 0.00 -0.62 0.00 0.00 0.00 176.54 176.46 1inn n VAL 99 N -4.21 0.41 0.00 4.60 0.31 -0.61 -1.72 118.33 117.11 1inn n VAL 99 Ca 0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1inn n VAL 99 Cb 0.30 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1inn n VAL 99 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1inn n LYS 101 N 1.00 0.00 -0.19 5.55 4.76 -0.82 -0.61 118.16 127.86 1inn n LYS 101 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1inn n LYS 101 Cb 0.18 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.38 1inn n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1inn h ALA 102 N 0.00 0.75 -0.57 7.82 0.00 -1.62 -1.45 119.26 124.18 1inn h ALA 102 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1inn h ALA 102 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1inn h ALA 102 CO 0.00 0.63 0.04 0.35 0.00 0.00 0.00 179.25 180.27 1inn h PHE 103 N 0.89 1.06 -0.43 0.00 3.57 -1.12 0.39 116.94 121.30 1inn h PHE 103 Ca 0.15 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1inn h PHE 103 Cb 0.63 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1inn h PHE 103 CO 0.04 0.94 0.27 1.49 -2.23 0.00 0.00 178.31 178.82 1inn h GLU 104 N 0.88 0.52 -0.34 1.11 4.81 -1.74 0.75 114.58 120.56 1inn h GLU 104 Ca 0.17 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.22 1inn h GLU 104 Cb 0.49 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1inn h GLU 104 CO 0.02 0.35 -0.38 0.00 -0.73 0.00 0.00 179.01 178.26 1inn h ALA 105 N 1.17 0.67 -0.12 2.92 0.00 -1.01 -2.32 119.26 120.57 1inn h ALA 105 Ca 0.16 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1inn h ALA 105 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1inn h ALA 105 CO -0.06 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.63 1inn h ALA 106 N 0.89 1.39 -0.03 0.00 0.00 -0.61 -2.22 119.26 118.68 1inn h ALA 106 Ca 0.06 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1inn h ALA 106 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1inn h ALA 106 CO 0.09 0.43 -0.66 -0.07 0.00 0.00 0.00 179.25 179.04 1inn h LEU 107 N 0.19 0.17 -0.47 0.00 3.38 -0.57 -0.87 115.31 117.14 1inn h LEU 107 Ca 0.03 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1inn h LEU 107 Cb 0.52 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1inn h LEU 107 CO 0.04 0.78 -0.01 0.11 0.09 0.00 0.00 178.44 179.44 1inn h LYS 108 N 0.10 0.85 -0.58 1.13 1.57 -1.04 0.11 116.57 118.71 1inn h LYS 108 Ca -0.01 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1inn h LYS 108 Cb 1.17 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 1inn h LYS 108 CO 0.10 0.90 0.25 -0.44 -0.57 0.00 0.00 179.45 179.69 1inn h ASP 109 N 0.70 0.79 -0.22 0.86 3.45 -1.25 -2.19 116.42 118.57 1inn h ASP 109 Ca 0.13 -0.16 -0.02 0.00 0.43 0.00 0.00 57.03 57.42 1inn h ASP 109 Cb 0.53 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 1inn h ASP 109 CO 0.03 0.73 0.06 0.74 -1.57 0.00 0.00 179.24 179.23 1inn h THR 110 N 0.80 1.20 -0.02 0.35 2.02 -0.91 -2.31 112.91 114.05 1inn h THR 110 Ca 0.20 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 1inn h THR 110 Cb 0.17 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1inn h THR 110 CO -0.02 0.20 -0.15 0.00 0.37 0.00 0.00 175.52 175.92 1inn h ALA 111 N 0.88 1.72 -0.64 6.16 0.00 -0.68 -2.31 119.26 124.39 1inn h ALA 111 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1inn h ALA 111 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1inn h ALA 111 CO -0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1inn n GLY 112 N -1.08 2.49 3.57 0.00 0.00 -0.83 -4.88 105.19 104.46 1inn n GLY 112 Ca -0.02 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1inn n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1inn s HIS 113 N -1.63 2.26 -0.83 1.61 2.46 -0.87 -4.81 115.29 113.48 1inn s HIS 113 Ca 0.48 0.41 0.08 0.00 0.47 0.00 0.00 55.06 56.51 1inn s HIS 113 Cb 0.30 -4.42 0.17 0.00 -0.13 0.00 0.00 32.58 28.50 1inn s HIS 113 CO 0.26 -1.99 1.04 -0.40 -2.47 0.00 0.00 174.74 171.18 1inn n ASP 114 N 9.68 2.34 -4.91 9.88 5.68 -1.26 -5.00 116.55 132.96 1inn n ASP 114 Ca 0.11 -1.76 -0.22 0.00 -0.50 0.00 0.00 54.79 52.42 1inn n ASP 114 Cb 0.49 -0.11 0.05 0.00 -1.14 0.00 0.00 41.12 40.42 1inn n ASP 114 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1inn s GLN 115 N -0.89 2.34 0.80 0.11 -0.21 -1.26 -5.05 119.66 115.49 1inn s GLN 115 Ca 0.15 -0.86 -0.14 0.00 0.02 0.00 0.00 55.36 54.53 1inn s GLN 115 Cb 0.08 -2.45 0.08 0.00 1.00 0.00 0.00 33.01 31.72 1inn s GLN 115 CO 0.11 -0.90 1.22 -2.14 -2.12 0.00 0.00 175.29 171.46 1inn s PRO 116 N -4.86 1.67 -0.02 2.91 0.02 -1.26 -4.89 135.00 128.57 1inn s PRO 116 Ca 0.59 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 1inn s PRO 116 Cb -0.09 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 1inn s PRO 116 CO 0.40 -2.20 1.32 0.42 -0.33 0.00 0.00 177.00 176.61 1inn s ILE 117 N -2.08 3.93 0.33 2.83 1.01 -1.26 -4.96 121.20 121.00 1inn s ILE 117 Ca 0.74 1.29 -0.29 0.00 0.00 0.00 0.00 60.65 62.40 1inn s ILE 117 Cb -0.30 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 1inn s ILE 117 CO 0.50 0.00 1.37 -2.16 0.00 0.00 0.00 174.94 174.65 1inn s PRO 118 N 2.28 4.28 -0.36 2.79 0.04 -1.26 -3.26 135.00 139.51 1inn s PRO 118 Ca 0.61 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1inn s PRO 118 Cb -0.29 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1inn s PRO 118 CO 0.25 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1inn n GLY 119 N 0.90 0.60 3.30 0.56 0.00 -1.26 -4.85 105.19 104.43 1inn n GLY 119 Ca 0.01 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1inn n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1inn s VAL 120 N -2.14 4.27 -0.16 1.61 1.01 -1.20 -3.88 120.40 119.91 1inn s VAL 120 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 61.98 60.40 1inn s VAL 120 Cb 0.00 -3.54 0.14 0.00 0.00 0.00 0.00 36.38 32.98 1inn s VAL 120 CO 0.00 -0.40 1.25 -0.94 0.00 0.00 0.00 175.10 175.00 1inn s SER 121 N 1.89 -0.11 0.56 3.32 1.04 -1.26 -4.98 113.70 114.18 1inn s SER 121 Ca 0.02 -0.03 0.34 0.00 0.48 0.00 0.00 55.95 56.76 1inn s SER 121 Cb -0.22 0.13 1.62 0.00 0.10 0.00 0.00 66.02 67.66 1inn s SER 121 CO 0.03 -0.22 2.09 -0.08 0.98 0.00 0.00 173.24 176.05 1inn h GLU 122 N 2.00 0.00 0.15 4.02 4.81 -1.94 -0.84 114.58 122.77 1inn h GLU 122 Ca -0.13 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.81 1inn h GLU 122 Cb 1.17 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.57 1inn h GLU 122 CO 0.24 0.05 -1.27 -0.07 -0.73 0.00 0.00 179.01 177.23 1inn h LEU 123 N 0.00 0.61 -0.49 1.64 3.38 -1.96 -3.37 115.31 115.12 1inn h LEU 123 Ca -0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1inn h LEU 123 Cb 0.36 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1inn h LEU 123 CO 0.01 1.47 -0.67 -0.62 0.09 0.00 0.00 178.44 178.71 1inn n GLU 124 N -3.64 0.97 -3.77 1.13 1.02 -1.01 -4.98 120.64 110.36 1inn n GLU 124 Ca -0.11 -0.48 -0.13 0.00 -0.02 0.00 0.00 57.16 56.42 1inn n GLU 124 Cb 1.02 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 30.88 1inn n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1inn n GLY 126 N 3.81 -0.75 2.65 0.00 0.00 -1.26 -3.43 105.19 106.19 1inn n GLY 126 Ca -0.22 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1inn n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1inn n ASN 127 N -1.66 -1.63 0.25 1.61 5.15 -1.26 -5.03 115.26 112.69 1inn n ASN 127 Ca 0.01 -3.27 0.17 0.00 -0.60 0.00 0.00 54.58 50.89 1inn n ASN 127 Cb 0.07 1.26 0.81 0.00 -0.53 0.00 0.00 39.78 41.39 1inn n ASN 127 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1inn h TYR 128 N 2.77 0.00 0.00 1.20 -0.00 -1.82 -0.51 116.97 118.61 1inn h TYR 128 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.61 1inn h TYR 128 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.86 1inn h TYR 128 CO 0.31 0.00 -0.44 0.00 -0.00 0.00 0.00 178.16 178.03 1inn h ARG 129 N 0.00 0.00 -3.28 0.10 3.08 -1.95 -3.41 114.38 108.92 1inn h ARG 129 Ca 0.07 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.37 1inn h ARG 129 Cb 0.76 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.67 1inn h ARG 129 CO -0.00 0.00 2.12 -3.47 -1.07 0.00 0.00 179.97 177.55 1inn n ASP 130 N -2.45 5.80 -4.21 7.04 2.03 -0.20 -4.93 116.55 119.64 1inn n ASP 130 Ca 0.03 -3.12 -0.16 0.00 0.52 0.00 0.00 54.79 52.07 1inn n ASP 130 Cb 0.48 -1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 39.32 1inn n ASP 130 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1inn s HIS 131 N 0.01 1.22 -0.46 -0.67 3.76 -1.26 -4.48 115.29 113.40 1inn s HIS 131 Ca 0.43 -0.64 0.06 0.00 -0.15 0.00 0.00 55.06 54.76 1inn s HIS 131 Cb 0.12 -0.64 0.18 0.00 1.11 0.00 0.00 32.58 33.34 1inn s HIS 131 CO -0.02 0.07 0.58 0.34 -0.85 0.00 0.00 174.74 174.87 1inn s ASP 132 N -2.59 -0.48 0.18 1.40 -1.08 -1.17 -4.84 116.67 108.09 1inn s ASP 132 Ca 0.09 -1.91 -0.13 0.00 -0.52 0.00 0.00 52.55 50.08 1inn s ASP 132 Cb -0.03 1.21 0.10 0.00 -1.46 0.00 0.00 42.92 42.74 1inn s ASP 132 CO 0.01 -0.12 1.84 0.25 0.52 0.00 0.00 175.17 177.67 1inn h LEU 133 N 5.65 0.63 -0.46 -1.34 5.85 -1.93 -1.34 115.31 122.36 1inn h LEU 133 Ca 0.11 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1inn h LEU 133 Cb 1.07 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 1inn h LEU 133 CO 0.13 0.45 0.14 0.00 -0.34 0.00 0.00 178.44 178.82 1inn h ALA 134 N 1.22 0.55 -0.56 1.25 0.00 -1.95 0.10 119.26 119.87 1inn h ALA 134 Ca 0.22 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1inn h ALA 134 Cb -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1inn h ALA 134 CO -0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 179.25 178.86 1inn h ALA 135 N 1.32 0.79 -0.36 0.00 0.00 -1.91 -2.10 119.26 117.00 1inn h ALA 135 Ca 0.22 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1inn h ALA 135 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1inn h ALA 135 CO -0.25 0.67 0.10 0.00 0.00 0.00 0.00 179.25 179.78 1inn h ALA 136 N 0.96 0.47 -0.87 0.00 0.00 -0.75 -1.04 119.26 118.03 1inn h ALA 136 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1inn h ALA 136 Cb 0.64 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1inn h ALA 136 CO 0.04 0.12 0.50 0.00 0.00 0.00 0.00 179.25 179.91 1inn h ARG 137 N 0.42 1.19 -0.41 0.00 3.08 -0.73 -1.80 114.38 116.14 1inn h ARG 137 Ca 0.11 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1inn h ARG 137 Cb 0.27 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1inn h ARG 137 CO -0.00 0.85 -0.16 0.37 -1.07 0.00 0.00 179.97 179.97 1inn h GLN 138 N 1.20 0.77 -0.60 0.04 5.75 -1.16 -0.67 115.11 120.44 1inn h GLN 138 Ca 0.31 -0.27 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1inn h GLN 138 Cb -0.01 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1inn h GLN 138 CO -0.05 0.88 0.20 0.45 -2.65 0.00 0.00 178.83 177.66 1inn h HIS 139 N 0.68 0.90 -0.43 3.99 3.86 -0.69 0.18 115.15 123.65 1inn h HIS 139 Ca 0.11 -0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1inn h HIS 139 Cb 0.64 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1inn h HIS 139 CO 0.03 0.72 -0.05 0.00 0.86 0.00 0.00 177.93 179.49 1inn h ALA 140 N 1.36 0.58 -0.88 2.45 0.00 -0.96 -2.25 119.26 119.55 1inn h ALA 140 Ca 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1inn h ALA 140 Cb 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1inn h ALA 140 CO -0.01 0.42 0.48 -0.09 0.00 0.00 0.00 179.25 180.04 1inn h ARG 141 N 0.62 1.23 -0.67 0.00 2.43 -0.61 -2.34 114.38 115.04 1inn h ARG 141 Ca 0.12 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1inn h ARG 141 Cb 0.56 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1inn h ARG 141 CO 0.03 0.90 0.25 -0.44 -1.51 0.00 0.00 179.97 179.20 1inn h ASP 142 N 1.23 0.93 -0.46 -3.80 3.32 -0.40 0.50 116.42 117.75 1inn h ASP 142 Ca 0.31 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1inn h ASP 142 Cb 0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1inn h ASP 142 CO -0.05 0.86 0.18 0.58 -1.72 0.00 0.00 179.24 179.09 1inn h VAL 143 N 0.95 1.21 -0.60 -1.35 2.07 -1.20 -0.69 116.25 116.65 1inn h VAL 143 Ca 0.22 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1inn h VAL 143 Cb 0.23 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1inn h VAL 143 CO -0.01 0.24 0.05 -0.07 0.02 0.00 0.00 177.57 177.80 1inn h LEU 144 N 0.60 0.96 -0.83 2.57 3.38 -1.21 0.18 115.31 120.96 1inn h LEU 144 Ca 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1inn h LEU 144 Cb 0.21 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1inn h LEU 144 CO -0.01 0.99 0.43 0.44 0.09 0.00 0.00 178.44 180.37 1inn h ASP 145 N 0.93 1.06 0.34 -0.43 3.32 -0.52 -2.97 116.42 118.14 1inn h ASP 145 Ca 0.18 -0.12 -0.23 0.00 0.02 0.00 0.00 57.03 56.88 1inn h ASP 145 Cb 0.47 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1inn h ASP 145 CO 0.02 0.87 -0.98 1.56 -1.72 0.00 0.00 179.24 178.99 1inn h GLN 146 N 1.16 0.42 -0.06 3.56 4.20 -0.75 -3.50 115.11 120.14 1inn h GLN 146 Ca 0.29 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1inn h GLN 146 Cb 0.07 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1inn h GLN 146 CO -0.04 1.13 0.00 0.41 -0.67 0.00 0.00 178.83 179.66 1inn n GLY 147 N 1.01 0.41 3.91 3.46 0.00 0.60 -4.99 105.19 109.59 1inn n GLY 147 Ca -0.07 -1.24 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1inn n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1inn s LEU 148 N -0.18 3.39 0.20 0.99 1.43 -1.26 -4.51 118.68 118.74 1inn s LEU 148 Ca 0.00 0.90 -0.22 0.00 -1.03 0.00 0.00 54.13 53.78 1inn s LEU 148 Cb 0.00 -3.81 0.05 0.00 0.03 0.00 0.00 46.19 42.46 1inn s LEU 148 CO 0.00 -0.84 0.64 -1.59 0.23 0.00 0.00 176.35 174.79 1inn s LYS 149 N -4.92 1.46 -0.18 1.70 0.00 -1.25 -5.03 119.74 111.52 1inn s LYS 149 Ca 0.51 -0.66 -0.23 0.00 0.00 0.00 0.00 55.97 55.60 1inn s LYS 149 Cb -0.10 0.60 -0.02 0.00 0.00 0.00 0.00 37.83 38.30 1inn s LYS 149 CO 0.46 -0.65 0.72 0.08 0.00 0.00 0.00 175.35 175.96 1inn s VAL 150 N -3.81 4.96 -0.18 1.79 1.01 -1.26 -2.07 120.40 120.84 1inn s VAL 150 Ca 0.05 1.38 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 1inn s VAL 150 Cb -0.03 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1inn s VAL 150 CO -0.06 0.08 0.34 -1.58 0.00 0.00 0.00 175.10 173.88 1inn s GLN 151 N 1.96 4.22 0.39 2.72 2.00 -0.37 -4.94 119.66 125.64 1inn s GLN 151 Ca 0.33 0.14 -0.23 0.00 -2.00 0.00 0.00 55.36 53.59 1inn s GLN 151 Cb -0.16 -3.48 -0.10 0.00 0.80 0.00 0.00 33.01 30.07 1inn s GLN 151 CO 0.11 0.11 0.97 -1.83 -0.50 0.00 0.00 175.29 174.16 1inn s GLU 152 N 0.84 4.32 -0.13 1.67 -1.05 -1.26 -4.60 118.70 118.50 1inn s GLU 152 Ca 0.18 1.28 -0.29 0.00 -0.15 0.00 0.00 54.97 55.98 1inn s GLU 152 Cb -0.14 -2.47 -0.01 0.00 -0.44 0.00 0.00 34.13 31.07 1inn s GLU 152 CO 0.06 0.04 1.05 0.99 0.95 0.00 0.00 175.26 178.35 1inn s THR 153 N -1.87 4.67 -0.32 1.83 2.01 -1.26 -4.97 115.64 115.74 1inn s THR 153 Ca 0.57 1.96 -0.07 0.00 0.31 0.00 0.00 61.69 64.47 1inn s THR 153 Cb -0.15 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.12 1inn s THR 153 CO 0.20 -0.04 0.10 -0.63 -0.69 0.00 0.00 174.62 173.55 1inn s ILE 154 N 2.34 3.89 0.42 1.82 -1.09 -1.26 -5.07 121.20 122.25 1inn s ILE 154 Ca 0.49 -0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 57.82 1inn s ILE 154 Cb -0.19 -3.11 -0.09 0.00 -1.58 0.00 0.00 42.46 37.49 1inn s ILE 154 CO 0.16 -0.06 0.88 -0.76 -1.23 0.00 0.00 174.94 173.94 1inn s LEU 155 N 1.45 3.89 0.00 2.97 1.43 -1.26 -0.69 118.68 126.47 1inn s LEU 155 Ca 0.01 1.50 0.30 0.00 -1.03 0.00 0.00 54.13 54.90 1inn s LEU 155 Cb -0.18 -4.36 1.78 0.00 0.03 0.00 0.00 46.19 43.46 1inn s LEU 155 CO 0.03 -0.37 2.12 0.18 0.23 0.00 0.00 176.35 178.53