#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k s SER 2 N 0.00 -0.50 0.21 1.61 0.01 -1.26 -5.16 113.70 108.60 2d8k s SER 2 Ca 0.00 0.89 -0.21 0.00 1.31 0.00 0.00 55.95 57.93 2d8k s SER 2 Cb 0.00 0.79 0.07 0.00 0.21 0.00 0.00 66.02 67.09 2d8k s SER 2 CO 0.00 -0.18 1.02 -0.94 0.41 0.00 0.00 173.24 173.54 2d8k s SER 3 N 1.18 0.02 -0.67 2.44 1.04 -1.26 -5.06 113.70 111.38 2d8k s SER 3 Ca -0.08 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.62 2d8k s SER 3 Cb -0.07 0.54 0.38 0.00 0.10 0.00 0.00 66.02 66.96 2d8k s SER 3 CO -0.10 -1.07 1.59 0.61 0.98 0.00 0.00 173.24 175.25 2d8k n GLY 4 N -0.70 5.76 3.58 7.32 0.00 -1.26 -5.00 105.19 114.88 2d8k n GLY 4 Ca -0.03 -2.62 -0.41 0.00 0.00 0.00 0.00 46.02 42.96 2d8k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k s SER 5 N -2.23 5.72 -0.29 1.61 0.01 -1.26 -4.90 113.70 112.37 2d8k s SER 5 Ca 0.50 0.74 -0.17 0.00 1.31 0.00 0.00 55.95 58.32 2d8k s SER 5 Cb 0.41 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 64.29 2d8k s SER 5 CO -0.30 -1.94 1.17 -0.55 0.41 0.00 0.00 173.24 172.02 2d8k s SER 6 N 6.43 -0.23 0.31 2.44 0.15 -1.26 -5.18 113.70 116.37 2d8k s SER 6 Ca 0.69 0.38 0.03 0.00 0.70 0.00 0.00 55.95 57.75 2d8k s SER 6 Cb -0.16 1.00 -0.02 0.00 -1.71 0.00 0.00 66.02 65.13 2d8k s SER 6 CO 0.27 -0.06 0.47 -0.83 1.20 0.00 0.00 173.24 174.29 2d8k s GLY 7 N 1.02 1.35 -0.12 9.45 0.00 -1.26 -5.11 107.32 112.64 2d8k s GLY 7 Ca -0.07 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.20 2d8k s GLY 7 CO -0.12 -1.11 1.01 -1.35 0.00 0.00 0.00 173.10 171.54 2d8k s SER 8 N -4.05 -0.32 0.18 1.64 1.04 -1.26 -5.18 113.70 105.75 2d8k s SER 8 Ca 0.39 0.21 0.07 0.00 0.48 0.00 0.00 55.95 57.10 2d8k s SER 8 Cb -0.09 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2d8k s SER 8 CO 0.32 -0.40 0.02 -0.60 0.98 0.00 0.00 173.24 173.57 2d8k s ARG 9 N -1.90 2.46 0.08 4.02 3.52 -1.26 -4.72 118.95 121.16 2d8k s ARG 9 Ca 0.02 -1.11 -0.03 0.00 -0.13 0.00 0.00 55.73 54.48 2d8k s ARG 9 Cb -0.01 -2.37 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 2d8k s ARG 9 CO -0.03 0.45 0.05 -1.21 -0.81 0.00 0.00 175.30 173.75 2d8k s GLU 10 N -3.05 0.76 -1.00 5.12 0.41 -1.26 -5.01 118.70 114.66 2d8k s GLU 10 Ca 0.28 -1.20 -0.04 0.00 -0.41 0.00 0.00 54.97 53.60 2d8k s GLU 10 Cb -0.09 0.26 0.15 0.00 -1.78 0.00 0.00 34.13 32.67 2d8k s GLU 10 CO 0.19 -0.19 2.38 -1.71 -0.49 0.00 0.00 175.26 175.44 2d8k n ASN 11 N 0.01 7.47 -1.53 -0.19 5.15 -1.26 -4.66 115.26 120.26 2d8k n ASN 11 Ca -0.12 -3.30 -0.09 0.00 -0.60 0.00 0.00 54.58 50.47 2d8k n ASN 11 Cb 0.62 -1.27 0.11 0.00 -0.53 0.00 0.00 39.78 38.70 2d8k n ASN 11 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2d8k n LEU 12 N 1.04 4.56 0.00 1.20 4.77 -1.26 -4.86 117.00 122.45 2d8k n LEU 12 Ca 0.56 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 2d8k n LEU 12 Cb 0.33 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2d8k n LEU 12 CO 0.55 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 2d8k n GLY 13 N -0.19 0.23 3.30 -0.72 0.00 -1.04 -4.39 105.19 102.37 2d8k n GLY 13 Ca 0.26 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 2d8k n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d8k s ARG 14 N 0.00 1.05 -0.02 1.61 1.70 -1.07 -2.48 118.95 119.74 2d8k s ARG 14 Ca 0.00 -0.99 0.02 0.00 -0.47 0.00 0.00 55.73 54.30 2d8k s ARG 14 Cb 0.00 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 2d8k s ARG 14 CO 0.00 -0.38 -0.08 -1.50 -1.08 0.00 0.00 175.30 172.26 2d8k s ILE 15 N -3.89 0.70 -0.10 4.99 2.07 -0.59 -2.85 121.20 121.52 2d8k s ILE 15 Ca 0.10 -0.33 -0.00 0.00 -1.41 0.00 0.00 60.65 59.00 2d8k s ILE 15 Cb 0.03 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.98 2d8k s ILE 15 CO -0.06 0.22 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.51 2d8k s GLN 16 N 0.09 3.11 -0.07 3.50 0.74 -1.13 -3.46 119.66 122.45 2d8k s GLN 16 Ca -0.01 -0.60 -0.26 0.00 0.05 0.00 0.00 55.36 54.54 2d8k s GLN 16 Cb -0.07 -2.65 0.06 0.00 1.10 0.00 0.00 33.01 31.45 2d8k s GLN 16 CO 0.00 0.43 0.58 -0.59 -0.55 0.00 0.00 175.29 175.16 2d8k s PHE 17 N -0.19 -0.54 -0.10 1.67 -0.71 -1.21 -2.36 117.98 114.53 2d8k s PHE 17 Ca 0.02 0.99 -0.03 0.00 -1.04 0.00 0.00 56.93 56.86 2d8k s PHE 17 Cb -0.13 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 2d8k s PHE 17 CO 0.03 -0.51 0.03 -1.54 -1.34 0.00 0.00 175.22 171.88 2d8k s SER 18 N -1.00 5.45 -0.05 1.98 1.04 0.77 -2.51 113.70 119.37 2d8k s SER 18 Ca -0.10 0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.57 2d8k s SER 18 Cb -0.02 -1.64 -0.01 0.00 0.10 0.00 0.00 66.02 64.46 2d8k s SER 18 CO 0.07 0.36 -0.24 -0.69 0.98 0.00 0.00 173.24 173.72 2d8k s VAL 19 N -0.74 1.93 -0.30 5.02 1.01 -0.97 -2.24 120.40 124.10 2d8k s VAL 19 Ca 0.12 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 2d8k s VAL 19 Cb -0.12 -1.64 0.17 0.00 0.00 0.00 0.00 36.38 34.80 2d8k s VAL 19 CO 0.02 0.54 1.09 -0.83 0.00 0.00 0.00 175.10 175.92 2d8k s GLY 20 N -0.13 0.09 -0.14 4.51 0.00 -1.08 -2.27 107.32 108.30 2d8k s GLY 20 Ca -0.03 3.33 -0.05 0.00 0.00 0.00 0.00 44.72 47.97 2d8k s GLY 20 CO 0.03 3.03 0.02 -0.47 0.00 0.00 0.00 173.10 175.72 2d8k s TYR 21 N 1.86 3.19 -0.00 1.90 6.14 -1.16 -1.36 117.35 127.92 2d8k s TYR 21 Ca -0.04 0.07 -0.18 0.00 0.64 0.00 0.00 57.07 57.55 2d8k s TYR 21 Cb -0.04 -1.94 -0.06 0.00 0.42 0.00 0.00 41.96 40.35 2d8k s TYR 21 CO -0.15 0.27 0.52 1.21 0.64 0.00 0.00 175.55 178.03 2d8k s ASN 22 N -0.19 6.91 -0.08 4.32 3.84 0.51 -4.49 114.94 125.76 2d8k s ASN 22 Ca 0.06 1.08 -0.00 0.00 0.21 0.00 0.00 52.86 54.20 2d8k s ASN 22 Cb -0.12 -2.32 -0.00 0.00 -0.55 0.00 0.00 41.25 38.26 2d8k s ASN 22 CO 0.02 0.19 -0.00 -0.26 -2.79 0.00 0.00 177.10 174.25 2d8k h PHE 23 N 5.29 0.00 -0.35 0.43 0.04 -1.95 -0.39 116.94 120.00 2d8k h PHE 23 Ca -0.47 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.37 2d8k h PHE 23 Cb 1.21 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.27 2d8k h PHE 23 CO 0.67 0.00 -0.32 1.96 -0.60 0.00 0.00 178.31 180.02 2d8k h GLN 24 N -0.84 -0.26 0.00 1.51 7.50 -1.99 0.17 115.11 121.21 2d8k h GLN 24 Ca 0.00 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.17 2d8k h GLN 24 Cb 0.01 0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.60 2d8k h GLN 24 CO 0.00 -0.17 0.00 0.39 -1.50 0.00 0.00 178.83 177.55 2d8k n GLU 25 N -5.41 0.21 -4.00 1.46 -0.58 -1.26 -4.93 120.64 106.13 2d8k n GLU 25 Ca 0.00 0.23 -0.27 0.00 -0.42 0.00 0.00 57.16 56.71 2d8k n GLU 25 Cb 0.33 -1.77 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 2d8k n GLU 25 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2d8k n SER 26 N -2.13 -0.32 -4.07 1.62 7.64 0.61 -4.93 113.62 112.04 2d8k n SER 26 Ca 0.05 -1.05 -0.13 0.00 1.01 0.00 0.00 58.87 58.75 2d8k n SER 26 Cb 0.37 -2.84 -0.11 0.00 -1.01 0.00 0.00 64.21 60.62 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2d8k s THR 27 N -4.00 0.58 -0.09 0.44 2.01 -0.92 -4.40 115.64 109.26 2d8k s THR 27 Ca 0.02 -1.08 -0.13 0.00 0.31 0.00 0.00 61.69 60.81 2d8k s THR 27 Cb -0.01 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 2d8k s THR 27 CO 0.90 -0.36 0.31 -0.22 -0.69 0.00 0.00 174.62 174.56 2d8k s LEU 28 N -1.57 4.37 -0.14 4.42 2.96 -1.17 -0.36 118.68 127.19 2d8k s LEU 28 Ca -0.09 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 2d8k s LEU 28 Cb -0.10 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.20 2d8k s LEU 28 CO 0.01 0.25 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.19 2d8k s THR 29 N -0.47 2.12 -0.22 3.68 2.01 -0.47 -2.21 115.64 120.08 2d8k s THR 29 Ca 0.19 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 2d8k s THR 29 Cb -0.14 -1.85 0.06 0.00 0.01 0.00 0.00 72.50 70.57 2d8k s THR 29 CO 0.08 0.55 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.82 2d8k s VAL 30 N 0.82 1.31 -0.30 3.82 1.01 -1.23 -2.63 120.40 123.20 2d8k s VAL 30 Ca -0.07 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 2d8k s VAL 30 Cb -0.15 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 2d8k s VAL 30 CO -0.02 -0.08 0.11 -0.75 0.00 0.00 0.00 175.10 174.36 2d8k s LYS 31 N 1.50 3.29 -1.05 2.72 2.20 -0.95 -3.13 119.74 124.31 2d8k s LYS 31 Ca -0.04 -0.74 -0.15 0.00 -0.36 0.00 0.00 55.97 54.69 2d8k s LYS 31 Cb -0.18 -3.45 0.18 0.00 -1.51 0.00 0.00 37.83 32.87 2d8k s LYS 31 CO -0.07 -0.39 1.20 0.42 -0.36 0.00 0.00 175.35 176.15 2d8k s ILE 32 N 1.57 5.15 0.00 5.43 -1.09 -1.17 -0.17 121.20 130.92 2d8k s ILE 32 Ca 0.04 -2.38 0.00 0.00 -2.23 0.00 0.00 60.65 56.08 2d8k s ILE 32 Cb -0.17 -4.77 0.00 0.00 -1.58 0.00 0.00 42.46 35.94 2d8k s ILE 32 CO 0.04 -1.45 0.51 0.23 -1.23 0.00 0.00 174.94 173.05 2d8k n MET 33 N 5.30 0.00 -3.80 2.79 2.81 -0.99 -1.17 117.12 122.07 2d8k n MET 33 Ca 0.28 0.51 0.02 0.00 -1.81 0.00 0.00 57.70 56.70 2d8k n MET 33 Cb 0.45 -0.89 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 2d8k n MET 33 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2d8k s LYS 34 N -1.73 0.41 0.29 0.03 0.00 -1.24 -1.16 119.74 116.33 2d8k s LYS 34 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 55.97 55.81 2d8k s LYS 34 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 37.83 37.91 2d8k s LYS 34 CO 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 175.35 175.21 2d8k s ALA 35 N -2.21 3.29 0.07 0.59 0.00 -1.16 -2.82 121.76 119.52 2d8k s ALA 35 Ca 0.22 -1.71 -0.15 0.00 0.00 0.00 0.00 51.96 50.32 2d8k s ALA 35 Cb 0.02 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.40 2d8k s ALA 35 CO -0.02 0.19 0.35 -0.65 0.00 0.00 0.00 175.76 175.62 2d8k s GLN 36 N -3.74 0.92 -1.30 0.00 -0.21 -1.13 -4.32 119.66 109.89 2d8k s GLN 36 Ca 0.33 -0.58 -0.04 0.00 0.02 0.00 0.00 55.36 55.10 2d8k s GLN 36 Cb -0.05 0.40 -0.00 0.00 1.00 0.00 0.00 33.01 34.36 2d8k s GLN 36 CO 0.21 -0.32 0.64 0.39 -2.12 0.00 0.00 175.29 174.08 2d8k n GLU 37 N 0.24 -3.75 -3.54 2.91 -0.58 -1.26 -2.60 120.64 112.05 2d8k n GLU 37 Ca -0.17 0.54 -0.37 0.00 -0.42 0.00 0.00 57.16 56.74 2d8k n GLU 37 Cb 0.61 -4.84 -0.07 0.00 -0.57 0.00 0.00 31.44 26.57 2d8k n GLU 37 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2d8k s LEU 38 N -6.68 4.26 0.72 -4.62 1.43 -1.26 -2.51 118.68 110.03 2d8k s LEU 38 Ca 0.09 0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 53.61 2d8k s LEU 38 Cb -0.03 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2d8k s LEU 38 CO 0.84 0.12 1.10 -2.16 0.23 0.00 0.00 176.35 176.48 2d8k s PRO 39 N 0.32 2.49 -0.88 1.29 0.04 -1.26 -4.89 135.00 132.10 2d8k s PRO 39 Ca 0.17 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 2d8k s PRO 39 Cb -0.13 -1.92 0.23 0.00 0.04 0.00 0.00 34.50 32.72 2d8k s PRO 39 CO 0.05 -1.48 0.83 0.00 0.04 0.00 0.00 177.00 176.44 2d8k s ALA 40 N -2.67 4.21 0.40 8.56 0.00 -1.26 -4.77 121.76 126.23 2d8k s ALA 40 Ca 0.64 -3.45 0.15 0.00 0.00 0.00 0.00 51.96 49.30 2d8k s ALA 40 Cb -0.19 -3.49 1.01 0.00 0.00 0.00 0.00 23.12 20.45 2d8k s ALA 40 CO 0.50 -2.26 1.85 0.87 0.00 0.00 0.00 175.76 176.72 2d8k h LYS 41 N 7.48 0.47 -7.35 0.00 1.79 -1.92 -3.41 116.57 113.64 2d8k h LYS 41 Ca 0.12 -0.03 -0.51 0.00 -2.18 0.00 0.00 60.65 58.05 2d8k h LYS 41 Cb 1.00 -0.11 0.06 0.00 -1.58 0.00 0.00 32.23 31.60 2d8k h LYS 41 CO 0.81 0.31 0.41 0.34 -1.08 0.00 0.00 179.45 180.24 2d8k s ASP 42 N -5.63 6.16 0.04 0.86 2.15 -1.26 -5.00 116.67 113.99 2d8k s ASP 42 Ca -0.09 1.45 -0.09 0.00 0.43 0.00 0.00 52.55 54.25 2d8k s ASP 42 Cb 0.23 -2.47 -0.32 0.00 -0.30 0.00 0.00 42.92 40.06 2d8k s ASP 42 CO 0.79 -0.92 1.01 -0.26 -0.17 0.00 0.00 175.17 175.62 2d8k h PHE 43 N -0.30 0.71 -0.98 -5.34 0.04 -1.89 -3.34 116.94 105.84 2d8k h PHE 43 Ca -0.44 -0.52 0.18 0.00 2.80 0.00 0.00 57.97 59.99 2d8k h PHE 43 Cb 1.19 -0.03 -0.18 0.00 2.20 0.00 0.00 35.95 39.14 2d8k h PHE 43 CO 0.65 1.44 -0.29 0.77 -0.60 0.00 0.00 178.31 180.28 2d8k h SER 44 N 0.11 -1.07 0.00 2.17 0.02 -1.94 -3.45 113.55 109.39 2d8k h SER 44 Ca -0.21 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2d8k h SER 44 Cb 2.07 0.65 0.00 0.00 0.14 0.00 0.00 62.40 65.26 2d8k h SER 44 CO 0.23 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.21 2d8k n GLY 45 N -1.57 2.12 3.31 -3.77 0.00 -1.25 -5.14 105.19 98.89 2d8k n GLY 45 Ca 0.14 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 2d8k n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d8k s THR 46 N 0.00 1.52 0.36 2.61 -1.32 -1.26 -4.66 115.64 112.89 2d8k s THR 46 Ca 0.00 -2.15 0.04 0.00 -1.21 0.00 0.00 61.69 58.37 2d8k s THR 46 Cb 0.00 -2.00 -0.03 0.00 -1.51 0.00 0.00 72.50 68.96 2d8k s THR 46 CO 0.00 -0.63 0.14 -0.44 -2.21 0.00 0.00 174.62 171.48 2d8k s SER 47 N -3.27 2.24 -0.95 8.08 0.01 -1.26 -4.56 113.70 113.99 2d8k s SER 47 Ca 0.21 -1.61 -0.04 0.00 1.31 0.00 0.00 55.95 55.81 2d8k s SER 47 Cb 0.01 0.41 0.24 0.00 0.21 0.00 0.00 66.02 66.89 2d8k s SER 47 CO 0.05 -0.90 0.87 -0.62 0.41 0.00 0.00 173.24 173.06 2d8k s ASP 48 N -3.50 6.40 0.36 2.44 -1.08 -1.26 -2.45 116.67 117.58 2d8k s ASP 48 Ca 0.30 -3.65 -0.27 0.00 -0.52 0.00 0.00 52.55 48.42 2d8k s ASP 48 Cb 0.04 -2.00 -0.09 0.00 -1.46 0.00 0.00 42.92 39.40 2d8k s ASP 48 CO 0.17 -0.23 1.21 -2.16 0.52 0.00 0.00 175.17 174.68 2d8k s PRO 49 N -1.27 4.23 -0.14 4.34 0.04 -1.26 0.57 135.00 141.52 2d8k s PRO 49 Ca 0.28 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 2d8k s PRO 49 Cb -0.08 -2.88 0.04 0.00 0.04 0.00 0.00 34.50 31.61 2d8k s PRO 49 CO -0.11 -0.21 0.41 -0.59 0.04 0.00 0.00 177.00 176.54 2d8k s PHE 50 N -1.28 -0.44 0.22 0.56 -0.71 0.66 -4.27 117.98 112.73 2d8k s PHE 50 Ca 0.53 1.05 -0.11 0.00 -1.04 0.00 0.00 56.93 57.35 2d8k s PHE 50 Cb -0.34 0.15 -0.07 0.00 -1.21 0.00 0.00 43.02 41.55 2d8k s PHE 50 CO 0.44 -0.23 0.57 0.08 -1.34 0.00 0.00 175.22 174.74 2d8k s VAL 51 N 0.10 4.88 -0.13 -2.49 1.01 -1.26 -1.62 120.40 120.89 2d8k s VAL 51 Ca -0.01 0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 2d8k s VAL 51 Cb -0.03 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.75 2d8k s VAL 51 CO 0.01 -0.00 0.02 -0.54 0.00 0.00 0.00 175.10 174.59 2d8k s LYS 52 N -2.61 0.60 0.10 2.72 1.02 -0.29 -1.09 119.74 120.19 2d8k s LYS 52 Ca 0.46 -0.13 -0.24 0.00 0.02 0.00 0.00 55.97 56.08 2d8k s LYS 52 Cb -0.12 -1.51 -0.07 0.00 -0.52 0.00 0.00 37.83 35.61 2d8k s LYS 52 CO 0.20 -0.47 0.74 0.42 -0.92 0.00 0.00 175.35 175.33 2d8k s ILE 53 N 1.93 4.56 -0.07 2.17 1.01 0.36 -2.51 121.20 128.65 2d8k s ILE 53 Ca 0.02 1.60 -0.03 0.00 0.00 0.00 0.00 60.65 62.25 2d8k s ILE 53 Cb -0.14 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.27 2d8k s ILE 53 CO -0.07 0.46 0.15 -0.31 0.00 0.00 0.00 174.94 175.18 2d8k s TYR 54 N -0.70 -0.16 -1.06 3.97 2.02 -0.26 -2.43 117.35 118.73 2d8k s TYR 54 Ca 0.36 0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 57.46 2d8k s TYR 54 Cb -0.22 -0.20 0.19 0.00 -0.40 0.00 0.00 41.96 41.33 2d8k s TYR 54 CO 0.24 -0.22 1.20 -0.51 -1.57 0.00 0.00 175.55 174.68 2d8k s LEU 55 N 1.83 5.53 0.51 -1.29 1.43 -1.26 -1.64 118.68 123.80 2d8k s LEU 55 Ca -0.02 -2.80 -0.19 0.00 -1.03 0.00 0.00 54.13 50.09 2d8k s LEU 55 Cb -0.12 -2.34 -0.07 0.00 0.03 0.00 0.00 46.19 43.69 2d8k s LEU 55 CO -0.06 -0.73 1.04 -0.76 0.23 0.00 0.00 176.35 176.08 2d8k s LEU 56 N 1.17 3.76 0.25 1.79 1.43 -1.10 -1.74 118.68 124.23 2d8k s LEU 56 Ca 0.34 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 2d8k s LEU 56 Cb -0.06 -4.55 0.29 0.00 0.03 0.00 0.00 46.19 41.90 2d8k s LEU 56 CO -0.05 -0.87 1.62 1.55 0.23 0.00 0.00 176.35 178.82 2d8k h PRO 57 N 1.27 0.41 -3.59 1.29 0.13 -1.90 -1.74 132.00 127.87 2d8k h PRO 57 Ca -0.49 -0.22 -0.49 0.00 -0.87 0.00 0.00 66.00 63.94 2d8k h PRO 57 Cb 1.22 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.38 2d8k h PRO 57 CO 0.59 0.78 0.13 -0.25 -0.23 0.00 0.00 178.00 179.02 2d8k n ASP 58 N -4.00 0.18 -1.04 1.44 8.00 -0.71 -4.85 116.55 115.57 2d8k n ASP 58 Ca -0.02 0.70 0.04 0.00 0.71 0.00 0.00 54.79 56.22 2d8k n ASP 58 Cb 0.52 -0.54 0.13 0.00 -0.02 0.00 0.00 41.12 41.21 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2d8k n LYS 59 N 1.28 1.07 0.00 -1.24 5.02 -1.26 -4.11 118.16 118.92 2d8k n LYS 59 Ca 0.14 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 2d8k n LYS 59 Cb 0.03 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2d8k n LYS 59 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2d8k n LYS 60 N -0.49 0.00 -2.75 1.97 3.00 -1.26 -4.87 118.16 113.76 2d8k n LYS 60 Ca 0.15 0.07 -0.43 0.00 -0.00 0.00 0.00 58.31 58.10 2d8k n LYS 60 Cb 0.87 -0.47 -0.04 0.00 0.00 0.00 0.00 35.03 35.40 2d8k n LYS 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2d8k s HIS 61 N -0.77 2.80 0.14 5.64 2.46 -1.26 -5.02 115.29 119.28 2d8k s HIS 61 Ca 0.00 0.28 0.10 0.00 0.47 0.00 0.00 55.06 55.91 2d8k s HIS 61 Cb 0.00 -4.18 -0.04 0.00 -0.13 0.00 0.00 32.58 28.24 2d8k s HIS 61 CO 0.00 -1.31 -0.23 -1.59 -2.47 0.00 0.00 174.74 169.14 2d8k s LYS 62 N 4.16 1.31 0.16 2.88 -2.85 -1.26 -4.54 119.74 119.60 2d8k s LYS 62 Ca 0.37 -1.34 0.02 0.00 -1.00 0.00 0.00 55.97 54.02 2d8k s LYS 62 Cb -0.10 -1.61 -0.05 0.00 -2.06 0.00 0.00 37.83 34.02 2d8k s LYS 62 CO 0.24 0.36 -0.03 -1.17 0.10 0.00 0.00 175.35 174.85 2d8k s LEU 63 N -2.28 2.27 0.27 2.77 2.96 -1.02 -5.03 118.68 118.63 2d8k s LEU 63 Ca 0.13 -1.12 -0.09 0.00 -0.22 0.00 0.00 54.13 52.83 2d8k s LEU 63 Cb -0.09 -0.13 -0.00 0.00 0.50 0.00 0.00 46.19 46.47 2d8k s LEU 63 CO 0.06 -0.50 0.45 -1.83 -1.32 0.00 0.00 176.35 173.22 2d8k s GLU 64 N -3.86 1.61 0.47 1.98 1.03 -1.26 0.13 118.70 118.80 2d8k s GLU 64 Ca 0.21 -1.41 0.08 0.00 0.03 0.00 0.00 54.97 53.89 2d8k s GLU 64 Cb 0.05 0.45 0.04 0.00 -0.80 0.00 0.00 34.13 33.87 2d8k s GLU 64 CO 0.02 -0.66 0.65 0.95 -1.33 0.00 0.00 175.26 174.89 2d8k s THR 65 N -3.77 2.72 1.14 1.83 -4.23 -0.25 -4.92 115.64 108.15 2d8k s THR 65 Ca 0.26 -0.99 -0.18 0.00 -1.18 0.00 0.00 61.69 59.60 2d8k s THR 65 Cb 0.00 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.39 2d8k s THR 65 CO 0.12 0.00 0.62 0.29 -0.54 0.00 0.00 174.62 175.11 2d8k n LYS 66 N -1.99 -3.42 -3.68 3.99 4.76 -1.26 -4.66 118.16 111.90 2d8k n LYS 66 Ca 0.10 -1.05 -0.30 0.00 -2.87 0.00 0.00 58.31 54.20 2d8k n LYS 66 Cb 0.60 -1.52 -0.15 0.00 -1.84 0.00 0.00 35.03 32.12 2d8k n LYS 66 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2d8k s VAL 67 N -1.91 0.62 -0.40 -0.18 1.01 -1.26 -4.58 120.40 113.70 2d8k s VAL 67 Ca 0.48 -1.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 2d8k s VAL 67 Cb -0.09 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2d8k s VAL 67 CO 0.40 -0.69 0.73 -0.54 0.00 0.00 0.00 175.10 175.00 2d8k s LYS 68 N 1.74 3.55 0.46 2.72 -0.14 -1.26 -5.04 119.74 121.77 2d8k s LYS 68 Ca 0.10 0.01 -0.23 0.00 -1.36 0.00 0.00 55.97 54.49 2d8k s LYS 68 Cb -0.17 -3.87 -0.08 0.00 -1.68 0.00 0.00 37.83 32.03 2d8k s LYS 68 CO -0.28 -0.94 1.13 1.03 -0.76 0.00 0.00 175.35 175.54 2d8k s ARG 69 N 3.03 3.79 -1.26 1.68 1.81 -1.26 -3.66 118.95 123.08 2d8k s ARG 69 Ca 0.28 1.69 -0.10 0.00 -1.72 0.00 0.00 55.73 55.87 2d8k s ARG 69 Cb -0.13 -2.37 -0.00 0.00 -0.45 0.00 0.00 34.95 31.99 2d8k s ARG 69 CO 0.19 -0.51 0.65 1.63 -0.68 0.00 0.00 175.30 176.58 2d8k n LYS 70 N -0.53 -2.51 -3.33 3.54 4.76 -1.24 -4.98 118.16 113.87 2d8k n LYS 70 Ca 0.07 0.46 -0.04 0.00 -2.87 0.00 0.00 58.31 55.93 2d8k n LYS 70 Cb 0.49 -4.43 -0.06 0.00 -1.84 0.00 0.00 35.03 29.20 2d8k n LYS 70 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2d8k s ASN 71 N -3.93 -0.40 -0.01 4.39 -0.87 -1.03 -4.94 114.94 108.15 2d8k s ASN 71 Ca 0.24 0.58 0.08 0.00 -1.57 0.00 0.00 52.86 52.18 2d8k s ASN 71 Cb -0.08 1.53 -0.23 0.00 -0.02 0.00 0.00 41.25 42.44 2d8k s ASN 71 CO 0.86 -0.28 0.77 -0.07 -2.57 0.00 0.00 177.10 175.82 2d8k h LEU 72 N 8.12 0.08 -4.63 0.60 3.38 -1.90 -3.35 115.31 117.61 2d8k h LEU 72 Ca -0.20 -0.14 -0.59 0.00 0.09 0.00 0.00 57.88 57.04 2d8k h LEU 72 Cb 1.15 -0.03 -0.42 0.00 0.09 0.00 0.00 40.66 41.46 2d8k h LEU 72 CO 0.25 1.12 -0.70 0.59 0.09 0.00 0.00 178.44 179.79 2d8k n ASN 73 N -3.18 4.71 -4.71 -0.43 3.02 -1.26 -4.19 115.26 109.21 2d8k n ASN 73 Ca -0.15 -3.72 -0.29 0.00 -0.03 0.00 0.00 54.58 50.39 2d8k n ASN 73 Cb 1.03 -0.48 0.15 0.00 -0.61 0.00 0.00 39.78 39.87 2d8k n ASN 73 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d8k s PRO 74 N -3.54 1.02 -0.20 3.52 0.04 -1.26 -4.78 135.00 129.79 2d8k s PRO 74 Ca 0.48 0.74 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2d8k s PRO 74 Cb 0.38 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 33.17 2d8k s PRO 74 CO -0.18 -2.38 -0.14 -3.38 0.04 0.00 0.00 177.00 170.95 2d8k s HIS 75 N -2.94 2.68 -0.16 0.56 -3.43 -1.26 -2.97 115.29 107.76 2d8k s HIS 75 Ca 0.64 -1.73 -0.13 0.00 -0.80 0.00 0.00 55.06 53.05 2d8k s HIS 75 Cb -0.18 -1.78 -0.07 0.00 -1.43 0.00 0.00 32.58 29.12 2d8k s HIS 75 CO 0.57 -0.78 -0.10 0.91 -2.00 0.00 0.00 174.74 173.34 2d8k n TRP 76 N 4.62 0.88 -4.13 0.38 8.01 -1.12 -4.97 117.44 121.11 2d8k n TRP 76 Ca -0.17 0.38 -0.35 0.00 -1.31 0.00 0.00 57.50 56.06 2d8k n TRP 76 Cb 0.47 -0.84 -0.01 0.00 -2.01 0.00 0.00 31.31 28.91 2d8k n TRP 76 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2d8k n ASN 77 N -4.55 -3.72 -4.89 -0.99 4.13 -0.31 -4.93 115.26 99.99 2d8k n ASN 77 Ca -0.15 -0.94 -0.31 0.00 1.68 0.00 0.00 54.58 54.87 2d8k n ASN 77 Cb 0.39 -3.02 -0.04 0.00 -1.54 0.00 0.00 39.78 35.57 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2d8k s GLU 78 N -6.84 3.67 -0.18 3.52 0.41 -1.26 -4.90 118.70 113.12 2d8k s GLU 78 Ca 0.73 0.03 0.01 0.00 -0.41 0.00 0.00 54.97 55.32 2d8k s GLU 78 Cb -0.39 -2.74 0.02 0.00 -1.78 0.00 0.00 34.13 29.24 2d8k s GLU 78 CO 0.89 0.36 -0.18 0.99 -0.49 0.00 0.00 175.26 176.82 2d8k s THR 79 N -1.82 2.18 0.31 3.63 2.01 -1.26 -3.06 115.64 117.62 2d8k s THR 79 Ca 0.43 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.60 2d8k s THR 79 Cb -0.11 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 2d8k s THR 79 CO 0.25 0.52 0.25 -0.36 -0.69 0.00 0.00 174.62 174.60 2d8k s PHE 80 N 1.31 2.96 -0.13 4.92 0.08 -1.18 -4.99 117.98 120.94 2d8k s PHE 80 Ca 0.05 -0.24 -0.05 0.00 0.12 0.00 0.00 56.93 56.81 2d8k s PHE 80 Cb -0.13 -1.65 0.06 0.00 -0.57 0.00 0.00 43.02 40.73 2d8k s PHE 80 CO -0.12 0.31 0.25 -0.51 -0.10 0.00 0.00 175.22 175.05 2d8k s LEU 81 N -3.93 -0.27 -0.45 -0.37 1.43 -1.26 -3.53 118.68 110.29 2d8k s LEU 81 Ca 0.38 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 53.92 2d8k s LEU 81 Cb -0.06 0.65 0.10 0.00 0.03 0.00 0.00 46.19 46.90 2d8k s LEU 81 CO 0.26 -0.24 0.32 -0.36 0.23 0.00 0.00 176.35 176.56 2d8k s PHE 82 N 2.40 3.37 0.03 0.29 0.08 -0.94 -4.94 117.98 118.26 2d8k s PHE 82 Ca 0.02 -1.63 -0.09 0.00 0.12 0.00 0.00 56.93 55.35 2d8k s PHE 82 Cb -0.12 -3.28 -0.05 0.00 -0.57 0.00 0.00 43.02 39.00 2d8k s PHE 82 CO -0.08 -0.92 0.33 -1.21 -0.10 0.00 0.00 175.22 173.24 2d8k s GLU 83 N 1.42 3.69 0.00 0.44 2.02 -1.26 -3.04 118.70 121.97 2d8k s GLU 83 Ca 0.04 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.13 2d8k s GLU 83 Cb -0.25 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 30.91 2d8k s GLU 83 CO 0.01 0.63 0.00 0.41 0.02 0.00 0.00 175.26 176.33 2d8k n GLY 84 N 1.19 1.64 3.56 -1.39 0.00 -1.26 -5.06 105.19 103.87 2d8k n GLY 84 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2d8k n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8k s PHE 85 N -1.83 3.20 0.61 1.61 0.40 -1.26 -5.06 117.98 115.64 2d8k s PHE 85 Ca 0.00 0.19 -0.17 0.00 -0.60 0.00 0.00 56.93 56.35 2d8k s PHE 85 Cb 0.00 -2.83 -0.03 0.00 0.51 0.00 0.00 43.02 40.68 2d8k s PHE 85 CO 0.00 -0.47 1.12 -1.25 0.70 0.00 0.00 175.22 175.32 2d8k s PRO 86 N 2.28 3.06 0.28 0.24 0.04 -1.26 -4.64 135.00 135.00 2d8k s PRO 86 Ca 0.17 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 2d8k s PRO 86 Cb -0.16 -1.98 0.40 0.00 0.04 0.00 0.00 34.50 32.80 2d8k s PRO 86 CO 0.12 -1.06 1.95 -0.92 0.04 0.00 0.00 177.00 177.13 2d8k h TYR 87 N 0.57 1.11 -0.17 0.56 5.03 -1.92 0.30 116.97 122.45 2d8k h TYR 87 Ca -0.48 0.03 0.05 0.00 2.58 0.00 0.00 58.73 60.90 2d8k h TYR 87 Cb 1.25 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 39.15 2d8k h TYR 87 CO 0.53 0.69 0.16 1.05 -1.32 0.00 0.00 178.16 179.27 2d8k h GLU 88 N 1.19 0.00 0.00 1.82 4.11 -2.01 -1.84 114.58 117.85 2d8k h GLU 88 Ca 0.33 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 59.38 2d8k h GLU 88 Cb -0.10 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 2d8k h GLU 88 CO -0.08 0.00 -2.12 1.63 0.07 0.00 0.00 179.01 178.51 2d8k n LYS 89 N -4.00 0.58 -0.35 1.06 5.02 -0.42 -4.22 118.16 115.82 2d8k n LYS 89 Ca 0.01 0.37 0.25 0.00 -2.02 0.00 0.00 58.31 56.92 2d8k n LYS 89 Cb 0.28 -1.58 0.51 0.00 -0.02 0.00 0.00 35.03 34.22 2d8k n LYS 89 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2d8k h VAL 90 N -1.00 0.37 -0.32 -0.18 3.04 -0.31 0.80 116.25 118.66 2d8k h VAL 90 Ca -0.59 -0.12 -0.06 0.00 -1.01 0.00 0.00 66.70 64.93 2d8k h VAL 90 Cb 1.51 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 2d8k h VAL 90 CO -0.36 0.06 -0.05 -0.37 -1.01 0.00 0.00 177.57 175.85 2d8k h VAL 91 N 0.34 1.21 0.00 1.51 -1.51 -1.54 -1.89 116.25 114.37 2d8k h VAL 91 Ca 0.69 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 2d8k h VAL 91 Cb 1.73 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 2d8k h VAL 91 CO -0.44 0.29 0.00 1.56 -1.23 0.00 0.00 177.57 177.75 2d8k h GLN 92 N 0.48 0.00 -7.10 5.19 4.20 0.45 -3.18 115.11 115.15 2d8k h GLN 92 Ca 0.10 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.36 2d8k h GLN 92 Cb 0.39 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.23 2d8k h GLN 92 CO 0.02 0.00 0.12 1.03 -0.67 0.00 0.00 178.83 179.33 2d8k s ARG 93 N -3.57 2.41 0.05 1.46 1.81 -0.71 -4.90 118.95 115.50 2d8k s ARG 93 Ca 0.02 -0.43 0.07 0.00 -1.72 0.00 0.00 55.73 53.68 2d8k s ARG 93 Cb 0.08 -2.30 -0.03 0.00 -0.45 0.00 0.00 34.95 32.25 2d8k s ARG 93 CO 0.55 -0.97 -0.20 0.42 -0.68 0.00 0.00 175.30 174.42 2d8k s ILE 94 N -3.03 1.60 -0.25 1.52 1.01 -0.66 -3.01 121.20 118.39 2d8k s ILE 94 Ca 0.58 -1.22 -0.24 0.00 0.00 0.00 0.00 60.65 59.77 2d8k s ILE 94 Cb -0.11 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 2d8k s ILE 94 CO 0.42 0.15 0.81 -0.22 0.00 0.00 0.00 174.94 176.10 2d8k s LEU 95 N -1.26 4.08 -0.26 2.97 2.96 0.77 -2.72 118.68 125.21 2d8k s LEU 95 Ca 0.07 0.99 -0.00 0.00 -0.22 0.00 0.00 54.13 54.96 2d8k s LEU 95 Cb -0.09 -3.16 0.04 0.00 0.50 0.00 0.00 46.19 43.48 2d8k s LEU 95 CO 0.02 -0.51 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.00 2d8k s TYR 96 N 2.83 3.16 -0.17 5.38 5.04 -0.65 -1.68 117.35 131.26 2d8k s TYR 96 Ca 0.34 -1.84 -0.01 0.00 -2.44 0.00 0.00 57.07 53.12 2d8k s TYR 96 Cb -0.15 -2.03 -0.00 0.00 0.35 0.00 0.00 41.96 40.12 2d8k s TYR 96 CO 0.08 -0.79 -0.13 -0.51 -1.34 0.00 0.00 175.55 172.86 2d8k s LEU 97 N 1.25 2.59 -0.07 6.97 1.43 -0.65 -1.11 118.68 129.09 2d8k s LEU 97 Ca -0.03 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2d8k s LEU 97 Cb -0.18 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2d8k s LEU 97 CO -0.04 0.06 -0.14 -1.58 0.23 0.00 0.00 176.35 174.88 2d8k s GLN 98 N 0.96 1.93 -0.41 1.70 0.74 -1.04 0.20 119.66 123.73 2d8k s GLN 98 Ca -0.02 -0.50 -0.09 0.00 0.05 0.00 0.00 55.36 54.80 2d8k s GLN 98 Cb -0.15 -1.56 0.08 0.00 1.10 0.00 0.00 33.01 32.48 2d8k s GLN 98 CO -0.02 0.06 0.25 0.08 -0.55 0.00 0.00 175.29 175.12 2d8k s VAL 99 N 0.58 4.20 0.44 1.34 1.01 -0.51 -1.14 120.40 126.32 2d8k s VAL 99 Ca -0.15 -1.39 0.07 0.00 0.00 0.00 0.00 61.98 60.51 2d8k s VAL 99 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2d8k s VAL 99 CO 0.05 -0.49 0.21 -0.76 0.00 0.00 0.00 175.10 174.11 2d8k s LEU 100 N 1.42 3.02 -0.44 3.92 1.02 -0.64 -2.41 118.68 124.56 2d8k s LEU 100 Ca 0.03 -1.12 -0.13 0.00 0.02 0.00 0.00 54.13 52.92 2d8k s LEU 100 Cb -0.23 -1.39 0.07 0.00 0.02 0.00 0.00 46.19 44.66 2d8k s LEU 100 CO 0.02 -0.65 0.33 1.51 0.02 0.00 0.00 176.35 177.59 2d8k s ASP 101 N -3.97 5.98 0.16 2.29 -4.77 -1.25 -0.24 116.67 114.86 2d8k s ASP 101 Ca 0.38 -1.30 -0.31 0.00 -3.30 0.00 0.00 52.55 48.02 2d8k s ASP 101 Cb 0.02 -2.12 -0.08 0.00 -1.09 0.00 0.00 42.92 39.65 2d8k s ASP 101 CO 0.21 -0.58 1.35 -0.47 0.70 0.00 0.00 175.17 176.38 2d8k s TYR 102 N 1.58 3.25 0.33 2.11 6.14 0.19 -4.75 117.35 126.20 2d8k s TYR 102 Ca 0.04 1.09 -0.19 0.00 0.64 0.00 0.00 57.07 58.65 2d8k s TYR 102 Cb -0.23 -3.64 0.04 0.00 0.42 0.00 0.00 41.96 38.54 2d8k s TYR 102 CO 0.06 -2.13 0.76 0.34 0.64 0.00 0.00 175.55 175.22 2d8k s ASP 103 N 0.73 -0.13 1.25 4.32 2.15 -1.26 -4.35 116.67 119.37 2d8k s ASP 103 Ca 0.61 -0.86 -0.16 0.00 0.43 0.00 0.00 52.55 52.57 2d8k s ASP 103 Cb -0.37 0.78 0.29 0.00 -0.30 0.00 0.00 42.92 43.33 2d8k s ASP 103 CO 0.34 -1.50 0.82 -2.11 -0.17 0.00 0.00 175.17 172.55 2d8k n ARG 104 N -0.49 -3.02 -1.23 4.34 1.85 -1.26 -4.62 116.66 112.23 2d8k n ARG 104 Ca -0.06 -0.87 -0.44 0.00 -1.00 0.00 0.00 57.85 55.48 2d8k n ARG 104 Cb 0.59 -2.02 -0.12 0.00 -1.05 0.00 0.00 32.46 29.87 2d8k n ARG 104 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 2d8k n PHE 105 N -5.14 0.73 -3.64 2.89 -1.74 -1.26 -4.84 117.46 104.47 2d8k n PHE 105 Ca 0.04 0.49 -0.09 0.00 -0.56 0.00 0.00 57.45 57.33 2d8k n PHE 105 Cb 0.56 -2.07 -0.07 0.00 1.52 0.00 0.00 39.48 39.42 2d8k n PHE 105 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2d8k s SER 106 N 6.79 -0.49 -0.73 5.98 0.01 -1.26 -5.09 113.70 118.90 2d8k s SER 106 Ca 1.14 0.93 -0.34 0.00 1.31 0.00 0.00 55.95 58.99 2d8k s SER 106 Cb -1.21 0.97 -0.18 0.00 0.21 0.00 0.00 66.02 65.80 2d8k s SER 106 CO 0.50 -0.16 2.46 0.54 0.41 0.00 0.00 173.24 176.99 2d8k n ARG 107 N 2.39 0.24 -1.61 12.44 1.74 -1.26 -4.75 116.66 125.85 2d8k n ARG 107 Ca -0.13 0.03 -0.54 0.00 -0.77 0.00 0.00 57.85 56.44 2d8k n ARG 107 Cb 0.56 -1.82 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 2d8k n ARG 107 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2d8k n ASN 108 N 10.19 1.63 -4.08 0.55 3.02 -1.26 -4.93 115.26 120.37 2d8k n ASN 108 Ca 0.57 1.12 -0.34 0.00 -0.03 0.00 0.00 54.58 55.90 2d8k n ASN 108 Cb 0.09 -1.15 -0.13 0.00 -0.61 0.00 0.00 39.78 37.98 2d8k n ASN 108 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2d8k s ASP 109 N 1.03 5.03 -0.02 6.41 2.15 -1.26 -5.08 116.67 124.92 2d8k s ASP 109 Ca 0.88 -2.08 -0.30 0.00 0.43 0.00 0.00 52.55 51.48 2d8k s ASP 109 Cb -1.01 -1.74 -0.05 0.00 -0.30 0.00 0.00 42.92 39.82 2d8k s ASP 109 CO 0.52 -0.47 1.47 -2.16 -0.17 0.00 0.00 175.17 174.36 2d8k s PRO 110 N 1.03 4.24 -0.10 4.34 0.04 -1.26 -3.94 135.00 139.35 2d8k s PRO 110 Ca 0.09 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.88 2d8k s PRO 110 Cb -0.21 -3.69 -0.23 0.00 0.04 0.00 0.00 34.50 30.41 2d8k s PRO 110 CO -0.06 -0.67 0.87 0.82 0.04 0.00 0.00 177.00 178.00 2d8k h ILE 111 N 5.12 1.58 -2.74 0.56 2.04 -1.84 -3.42 117.51 118.81 2d8k h ILE 111 Ca -0.37 -1.93 0.11 0.00 1.00 0.00 0.00 64.86 63.66 2d8k h ILE 111 Cb 1.17 2.85 -0.06 0.00 -0.74 0.00 0.00 36.82 40.04 2d8k h ILE 111 CO 0.92 0.49 0.33 -0.83 0.00 0.00 0.00 178.15 179.06 2d8k s GLY 112 N -3.89 -0.16 0.03 5.37 0.00 -1.20 -3.84 107.32 103.64 2d8k s GLY 112 Ca -0.17 -0.11 -0.18 0.00 0.00 0.00 0.00 44.72 44.26 2d8k s GLY 112 CO 0.65 -0.04 0.40 -1.83 0.00 0.00 0.00 173.10 172.27 2d8k s GLU 113 N -3.66 0.87 0.01 2.90 4.04 -0.92 -1.42 118.70 120.53 2d8k s GLU 113 Ca 0.11 -0.31 0.04 0.00 0.04 0.00 0.00 54.97 54.85 2d8k s GLU 113 Cb -0.04 0.39 -0.01 0.00 0.02 0.00 0.00 34.13 34.49 2d8k s GLU 113 CO 0.05 -0.29 -0.12 0.08 -1.84 0.00 0.00 175.26 173.13 2d8k s VAL 114 N -2.21 0.98 -0.13 1.83 1.01 0.13 -2.62 120.40 119.39 2d8k s VAL 114 Ca -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2d8k s VAL 114 Cb -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2d8k s VAL 114 CO -0.01 0.14 -0.12 -0.94 0.00 0.00 0.00 175.10 174.17 2d8k s SER 115 N -0.65 2.48 -0.07 3.32 1.04 -1.26 -1.63 113.70 116.92 2d8k s SER 115 Ca 0.03 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.01 2d8k s SER 115 Cb -0.06 -1.06 0.04 0.00 0.10 0.00 0.00 66.02 65.04 2d8k s SER 115 CO 0.00 -0.06 0.14 -0.63 0.98 0.00 0.00 173.24 173.68 2d8k s ILE 116 N 1.45 -0.19 0.00 -1.02 1.01 -0.68 -4.99 121.20 116.78 2d8k s ILE 116 Ca 0.03 0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 2d8k s ILE 116 Cb -0.13 -0.26 -0.06 0.00 0.01 0.00 0.00 42.46 42.02 2d8k s ILE 116 CO -0.08 0.13 1.45 -2.16 0.00 0.00 0.00 174.94 174.28 2d8k s PRO 117 N 1.98 4.26 0.00 2.79 0.04 -1.26 -0.17 135.00 142.65 2d8k s PRO 117 Ca -0.00 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.11 2d8k s PRO 117 Cb -0.12 -3.61 0.20 0.00 0.04 0.00 0.00 34.50 31.01 2d8k s PRO 117 CO -0.05 -0.62 1.11 1.28 0.04 0.00 0.00 177.00 178.76 2d8k n LEU 118 N 5.56 0.00 0.07 -3.56 4.77 -1.16 -1.32 117.00 121.36 2d8k n LEU 118 Ca 0.14 0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 56.52 2d8k n LEU 118 Cb 0.43 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2d8k n LEU 118 CO 0.59 -0.38 0.20 -1.13 -1.33 0.00 0.00 177.39 175.34 2d8k h ASN 119 N 0.00 0.00 0.07 -1.43 -1.24 -1.77 -3.34 115.58 107.87 2d8k h ASN 119 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 2d8k h ASN 119 Cb 0.07 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.13 2d8k h ASN 119 CO 0.00 0.91 -0.41 0.11 -1.29 0.00 0.00 177.43 176.75 2d8k h LYS 120 N 0.00 0.15 -6.78 6.67 1.79 -1.54 -3.46 116.57 113.40 2d8k h LYS 120 Ca -0.01 -0.26 -0.53 0.00 -2.18 0.00 0.00 60.65 57.67 2d8k h LYS 120 Cb 1.69 0.10 0.07 0.00 -1.58 0.00 0.00 32.23 32.51 2d8k h LYS 120 CO 0.12 1.12 0.80 0.54 -1.08 0.00 0.00 179.45 180.95 2d8k s VAL 121 N -2.34 2.43 -1.21 0.50 0.11 -1.19 -4.87 120.40 113.83 2d8k s VAL 121 Ca -0.16 0.37 -0.22 0.00 -2.93 0.00 0.00 61.98 59.04 2d8k s VAL 121 Cb -0.01 -3.24 -0.05 0.00 -1.53 0.00 0.00 36.38 31.55 2d8k s VAL 121 CO 0.76 0.06 1.89 -1.81 -3.33 0.00 0.00 175.10 172.67 2d8k s ASP 122 N 0.34 5.45 0.38 3.54 1.11 -1.26 -4.75 116.67 121.47 2d8k s ASP 122 Ca 0.60 -1.86 0.10 0.00 0.18 0.00 0.00 52.55 51.57 2d8k s ASP 122 Cb -0.44 -2.59 0.87 0.00 1.07 0.00 0.00 42.92 41.83 2d8k s ASP 122 CO 0.46 -2.65 1.92 -0.07 1.18 0.00 0.00 175.17 176.02 2d8k h LEU 123 N 16.55 0.57 -1.62 1.23 3.38 -1.86 -1.99 115.31 131.56 2d8k h LEU 123 Ca 0.27 0.02 0.48 0.00 0.09 0.00 0.00 57.88 58.75 2d8k h LEU 123 Cb 0.92 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 2d8k h LEU 123 CO 1.28 0.32 1.15 0.35 0.09 0.00 0.00 178.44 181.62 2d8k n THR 124 N -4.51 -0.04 -3.83 0.22 -2.24 -1.26 -3.01 114.28 99.61 2d8k n THR 124 Ca 0.14 1.35 -0.10 0.00 -2.27 0.00 0.00 64.05 63.17 2d8k n THR 124 Cb 0.40 -2.23 -0.07 0.00 -2.10 0.00 0.00 70.33 66.32 2d8k n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8k s GLN 125 N -4.69 0.80 0.25 -0.78 -2.07 -0.75 -4.95 119.66 107.48 2d8k s GLN 125 Ca -0.05 -0.78 -0.31 0.00 -1.82 0.00 0.00 55.36 52.41 2d8k s GLN 125 Cb 0.24 0.33 -0.11 0.00 -1.09 0.00 0.00 33.01 32.38 2d8k s GLN 125 CO 0.76 -0.25 1.60 1.41 -1.32 0.00 0.00 175.29 177.49 2d8k s MET 126 N -3.25 4.15 -0.08 9.60 -2.45 -1.26 -4.68 119.30 121.34 2d8k s MET 126 Ca 0.00 2.52 -0.03 0.00 -1.25 0.00 0.00 55.69 56.93 2d8k s MET 126 Cb 0.02 -3.06 0.05 0.00 1.25 0.00 0.00 34.83 33.08 2d8k s MET 126 CO -0.08 -0.63 0.16 -0.65 1.05 0.00 0.00 175.02 174.88 2d8k s GLN 127 N 0.07 0.04 0.62 4.11 -1.52 -0.96 -4.99 119.66 117.03 2d8k s GLN 127 Ca 0.66 0.54 -0.11 0.00 -1.95 0.00 0.00 55.36 54.50 2d8k s GLN 127 Cb -0.47 -0.26 -0.04 0.00 -0.22 0.00 0.00 33.01 32.03 2d8k s GLN 127 CO 0.42 -0.29 1.03 0.99 -0.25 0.00 0.00 175.29 177.19 2d8k s THR 128 N 2.12 4.67 -0.11 -0.19 2.01 -1.26 -2.30 115.64 120.58 2d8k s THR 128 Ca 0.01 0.86 -0.10 0.00 0.31 0.00 0.00 61.69 62.77 2d8k s THR 128 Cb -0.12 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.56 2d8k s THR 128 CO -0.06 -1.13 0.28 -0.36 -0.69 0.00 0.00 174.62 172.66 2d8k s PHE 129 N -3.18 -0.31 -0.25 4.92 0.40 -1.04 -4.97 117.98 113.55 2d8k s PHE 129 Ca 0.55 0.76 0.01 0.00 -0.60 0.00 0.00 56.93 57.65 2d8k s PHE 129 Cb -0.11 0.11 0.07 0.00 0.51 0.00 0.00 43.02 43.59 2d8k s PHE 129 CO 0.54 -0.15 -0.04 -1.58 0.70 0.00 0.00 175.22 174.69 2d8k s TRP 130 N 0.15 2.48 0.13 0.36 0.52 -1.26 -3.29 118.94 118.03 2d8k s TRP 130 Ca -0.00 -1.86 0.05 0.00 0.02 0.00 0.00 56.10 54.31 2d8k s TRP 130 Cb -0.02 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 2d8k s TRP 130 CO 0.00 -0.80 -0.12 0.15 0.02 0.00 0.00 176.95 176.20 2d8k s LYS 131 N 1.37 1.03 -0.36 4.98 -0.14 -1.22 -5.02 119.74 120.37 2d8k s LYS 131 Ca -0.04 -1.32 -0.21 0.00 -1.36 0.00 0.00 55.97 53.05 2d8k s LYS 131 Cb -0.19 -0.77 0.00 0.00 -1.68 0.00 0.00 37.83 35.19 2d8k s LYS 131 CO -0.07 0.13 0.65 -0.51 -0.76 0.00 0.00 175.35 174.78 2d8k s ASP 132 N -2.74 6.43 -0.47 2.83 1.11 -1.26 -1.54 116.67 121.03 2d8k s ASP 132 Ca 0.12 0.15 -0.42 0.00 0.18 0.00 0.00 52.55 52.58 2d8k s ASP 132 Cb -0.02 -2.33 -0.18 0.00 1.07 0.00 0.00 42.92 41.46 2d8k s ASP 132 CO 0.02 -0.61 2.03 0.18 1.18 0.00 0.00 175.17 177.97 2d8k n LEU 133 N 6.08 0.72 -4.73 1.23 4.77 -1.04 -4.86 117.00 119.18 2d8k n LEU 133 Ca -0.01 0.65 -0.31 0.00 -0.03 0.00 0.00 56.01 56.31 2d8k n LEU 133 Cb 0.48 -0.85 0.12 0.00 -2.33 0.00 0.00 43.42 40.84 2d8k n LEU 133 CO 0.49 -0.73 0.69 -0.54 -1.33 0.00 0.00 177.39 175.97 2d8k s LYS 134 N 5.67 1.71 -0.66 3.23 -0.14 -1.08 -4.31 119.74 124.16 2d8k s LYS 134 Ca 1.14 1.33 -0.26 0.00 -1.36 0.00 0.00 55.97 56.81 2d8k s LYS 134 Cb -1.42 -1.82 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 2d8k s LYS 134 CO 0.63 -2.08 1.87 -1.25 -0.76 0.00 0.00 175.35 173.76 2d8k s PRO 135 N -4.80 2.62 0.17 -1.68 0.04 -1.26 -2.16 135.00 127.93 2d8k s PRO 135 Ca 0.64 0.45 -0.32 0.00 0.04 0.00 0.00 61.00 61.81 2d8k s PRO 135 Cb -0.20 -4.50 -0.12 0.00 0.04 0.00 0.00 34.50 29.73 2d8k s PRO 135 CO 0.57 -2.84 1.76 -1.13 0.04 0.00 0.00 177.00 175.40 2d8k n SER 136 N 12.95 3.96 -2.80 6.66 3.41 -1.25 -4.90 113.62 131.65 2d8k n SER 136 Ca 0.24 1.03 -0.12 0.00 -0.26 0.00 0.00 58.87 59.76 2d8k n SER 136 Cb 0.51 -1.55 -0.02 0.00 -0.26 0.00 0.00 64.21 62.89 2d8k n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8k n GLY 137 N 4.04 1.91 3.55 5.00 0.00 -1.26 -4.94 105.19 113.50 2d8k n GLY 137 Ca 0.17 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 2d8k n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8k s PRO 138 N -2.58 2.62 -0.68 1.61 0.04 -1.26 -4.93 135.00 129.81 2d8k s PRO 138 Ca 0.24 0.57 -0.27 0.00 0.04 0.00 0.00 61.00 61.58 2d8k s PRO 138 Cb -0.02 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2d8k s PRO 138 CO 0.17 -2.77 1.58 -1.54 0.04 0.00 0.00 177.00 174.48 2d8k s SER 139 N 8.13 5.72 -0.22 6.66 1.04 -1.26 -4.96 113.70 128.81 2d8k s SER 139 Ca 0.67 -0.08 -0.02 0.00 0.48 0.00 0.00 55.95 57.01 2d8k s SER 139 Cb -0.12 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.46 2d8k s SER 139 CO 0.20 -2.11 -0.10 -0.94 0.98 0.00 0.00 173.24 171.27 2d8k s SER 140 N 5.95 3.96 0.00 7.02 1.04 -1.26 -5.25 113.70 125.16 2d8k s SER 140 Ca 0.51 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2d8k s SER 140 Cb -0.10 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.38 2d8k s SER 140 CO 0.17 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.95