#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 6.08 0.10 1.61 0.01 -1.26 -5.08 113.70 115.16 2d8k s SER 2 Ca 0.00 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.92 2d8k s SER 2 Cb 0.00 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 2d8k s SER 2 CO 0.00 -0.22 0.32 -0.55 0.41 0.00 0.00 173.24 173.20 2d8k s SER 3 N 1.73 6.47 -0.11 2.44 0.15 -1.26 -5.10 113.70 118.03 2d8k s SER 3 Ca 0.07 0.53 -0.30 0.00 0.70 0.00 0.00 55.95 56.95 2d8k s SER 3 Cb -0.17 -2.07 0.09 0.00 -1.71 0.00 0.00 66.02 62.16 2d8k s SER 3 CO 0.11 0.12 0.79 -0.83 1.20 0.00 0.00 173.24 174.63 2d8k s GLY 4 N -2.28 -0.47 0.06 9.45 0.00 -1.26 -5.16 107.32 107.66 2d8k s GLY 4 Ca 0.37 1.64 -0.18 0.00 0.00 0.00 0.00 44.72 46.54 2d8k s GLY 4 CO 0.23 1.07 0.53 -1.35 0.00 0.00 0.00 173.10 173.58 2d8k s SER 5 N -1.00 7.00 -0.11 1.64 1.04 -1.26 -5.08 113.70 115.93 2d8k s SER 5 Ca -0.07 1.19 -0.05 0.00 0.48 0.00 0.00 55.95 57.50 2d8k s SER 5 Cb -0.01 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 2d8k s SER 5 CO 0.06 0.29 0.08 -0.55 0.98 0.00 0.00 173.24 174.10 2d8k s SER 6 N -1.11 5.91 0.00 7.02 0.15 -1.26 -4.94 113.70 119.48 2d8k s SER 6 Ca 0.28 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2d8k s SER 6 Cb -0.19 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2d8k s SER 6 CO 0.18 0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.61 2d8k n GLY 7 N 2.11 -2.43 3.43 9.45 0.00 -1.26 -4.98 105.19 111.51 2d8k n GLY 7 Ca -0.19 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2d8k n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8k s SER 8 N -0.30 5.99 -0.25 1.61 0.15 -1.26 -5.06 113.70 114.59 2d8k s SER 8 Ca 0.00 -0.94 -0.23 0.00 0.70 0.00 0.00 55.95 55.49 2d8k s SER 8 Cb 0.00 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 2d8k s SER 8 CO 0.00 -0.43 0.74 -0.60 1.20 0.00 0.00 173.24 174.15 2d8k s ARG 9 N 1.64 4.15 0.41 5.44 3.52 -1.26 -4.91 118.95 127.94 2d8k s ARG 9 Ca 0.04 0.78 0.03 0.00 -0.13 0.00 0.00 55.73 56.45 2d8k s ARG 9 Cb -0.19 -3.65 0.03 0.00 -1.56 0.00 0.00 34.95 29.58 2d8k s ARG 9 CO 0.09 -0.47 0.25 0.39 -0.81 0.00 0.00 175.30 174.74 2d8k n GLU 10 N 5.88 0.91 -1.32 5.12 -0.58 -1.26 -5.04 120.64 124.35 2d8k n GLU 10 Ca 0.03 -2.66 -0.24 0.00 -0.42 0.00 0.00 57.16 53.87 2d8k n GLU 10 Cb 0.48 0.38 0.12 0.00 -0.57 0.00 0.00 31.44 31.85 2d8k n GLU 10 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2d8k n ASN 11 N -1.74 5.24 -0.32 1.62 4.13 -1.26 -4.75 115.26 118.17 2d8k n ASN 11 Ca -0.05 -3.74 0.27 0.00 1.68 0.00 0.00 54.58 52.74 2d8k n ASN 11 Cb 0.48 -0.77 0.51 0.00 -1.54 0.00 0.00 39.78 38.46 2d8k n ASN 11 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2d8k n LEU 12 N -0.98 0.23 0.00 3.41 7.99 -1.26 -4.31 117.00 122.08 2d8k n LEU 12 Ca 0.53 1.65 0.00 0.00 -0.01 0.00 0.00 56.01 58.18 2d8k n LEU 12 Cb 1.03 -0.75 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 2d8k n LEU 12 CO 0.56 -1.80 0.00 0.61 -1.51 0.00 0.00 177.39 175.25 2d8k n GLY 13 N -1.32 0.73 3.19 -0.72 0.00 -0.84 -3.64 105.19 102.59 2d8k n GLY 13 Ca 0.34 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 0.57 -0.07 1.61 1.70 -0.73 -2.03 118.95 119.99 2d8k s ARG 14 Ca 0.00 -0.18 0.03 0.00 -0.47 0.00 0.00 55.73 55.11 2d8k s ARG 14 Cb 0.00 0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 2d8k s ARG 14 CO 0.00 -0.14 -0.16 -1.50 -1.08 0.00 0.00 175.30 172.42 2d8k s ILE 15 N -1.15 2.89 -0.10 4.99 2.07 -0.50 -2.58 121.20 126.82 2d8k s ILE 15 Ca -0.12 -0.76 -0.02 0.00 -1.41 0.00 0.00 60.65 58.34 2d8k s ILE 15 Cb -0.06 -2.14 -0.03 0.00 0.13 0.00 0.00 42.46 40.36 2d8k s ILE 15 CO 0.03 0.57 -0.02 -1.58 -1.91 0.00 0.00 174.94 172.03 2d8k s GLN 16 N -0.35 3.13 -0.15 3.50 2.00 -0.93 -3.37 119.66 123.49 2d8k s GLN 16 Ca 0.03 -0.46 -0.29 0.00 -2.00 0.00 0.00 55.36 52.64 2d8k s GLN 16 Cb -0.12 -2.79 0.10 0.00 0.80 0.00 0.00 33.01 30.99 2d8k s GLN 16 CO 0.02 0.58 0.84 -0.59 -0.50 0.00 0.00 175.29 175.64 2d8k s PHE 17 N -0.54 -0.55 0.12 1.67 -0.12 -1.19 -3.02 117.98 114.36 2d8k s PHE 17 Ca 0.09 1.06 0.08 0.00 -0.05 0.00 0.00 56.93 58.11 2d8k s PHE 17 Cb -0.12 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 2d8k s PHE 17 CO 0.02 -0.43 -0.13 -1.12 -0.05 0.00 0.00 175.22 173.51 2d8k s SER 18 N -0.76 4.20 0.01 1.98 0.01 0.61 -1.18 113.70 118.57 2d8k s SER 18 Ca -0.04 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 56.81 2d8k s SER 18 Cb -0.01 -0.72 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 2d8k s SER 18 CO 0.04 0.16 -0.23 -0.69 0.41 0.00 0.00 173.24 172.94 2d8k s VAL 19 N -1.27 1.81 -0.30 3.43 1.01 -0.75 -2.25 120.40 122.07 2d8k s VAL 19 Ca 0.21 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 2d8k s VAL 19 Cb -0.11 -1.53 0.16 0.00 0.00 0.00 0.00 36.38 34.91 2d8k s VAL 19 CO 0.13 0.38 0.97 -0.83 0.00 0.00 0.00 175.10 175.75 2d8k s GLY 20 N -0.87 -0.19 0.01 4.51 0.00 -0.93 -1.94 107.32 107.90 2d8k s GLY 20 Ca 0.09 3.03 0.02 0.00 0.00 0.00 0.00 44.72 47.86 2d8k s GLY 20 CO 0.01 3.16 -0.01 -0.47 0.00 0.00 0.00 173.10 175.79 2d8k s TYR 21 N 2.34 3.05 -0.20 1.90 6.14 -0.86 -0.69 117.35 129.04 2d8k s TYR 21 Ca -0.03 0.06 -0.06 0.00 0.64 0.00 0.00 57.07 57.68 2d8k s TYR 21 Cb -0.06 -1.65 -0.03 0.00 0.42 0.00 0.00 41.96 40.63 2d8k s TYR 21 CO -0.17 0.45 0.03 1.21 0.64 0.00 0.00 175.55 177.71 2d8k s ASN 22 N -1.60 5.18 -0.05 4.32 3.84 0.55 -4.67 114.94 122.50 2d8k s ASN 22 Ca 0.20 -0.09 -0.17 0.00 0.21 0.00 0.00 52.86 53.01 2d8k s ASN 22 Cb -0.11 -1.89 -0.11 0.00 -0.55 0.00 0.00 41.25 38.58 2d8k s ASN 22 CO 0.11 0.10 0.69 -0.26 -2.79 0.00 0.00 177.10 174.94 2d8k h PHE 23 N 7.22 -0.32 -0.62 0.43 -1.00 -1.95 0.57 116.94 121.27 2d8k h PHE 23 Ca -0.36 -0.01 0.12 0.00 2.81 0.00 0.00 57.97 60.54 2d8k h PHE 23 Cb 1.18 0.11 -0.10 0.00 3.61 0.00 0.00 35.95 40.75 2d8k h PHE 23 CO 0.59 -0.02 0.08 1.96 -1.61 0.00 0.00 178.31 179.31 2d8k h GLN 24 N -1.00 0.19 -0.00 1.51 4.20 -1.98 0.20 115.11 118.23 2d8k h GLN 24 Ca -0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2d8k h GLN 24 Cb 0.44 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2d8k h GLN 24 CO 0.06 0.13 -0.28 0.39 -0.67 0.00 0.00 178.83 178.45 2d8k n GLU 25 N -5.19 0.23 -4.27 1.46 -0.58 -1.25 -4.94 120.64 106.10 2d8k n GLU 25 Ca 0.09 -0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.39 2d8k n GLU 25 Cb 0.35 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.67 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 -1.29 -1.37 -4.27 1.62 7.64 0.19 -4.93 113.62 111.20 2d8k n SER 26 Ca 0.08 -1.13 -0.17 0.00 1.01 0.00 0.00 58.87 58.67 2d8k n SER 26 Cb 0.33 -2.28 -0.10 0.00 -1.01 0.00 0.00 64.21 61.14 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 -3.67 1.37 0.03 0.44 2.01 -0.69 -4.47 115.64 110.65 2d8k s THR 27 Ca 0.44 -1.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.50 2d8k s THR 27 Cb -0.25 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 2d8k s THR 27 CO 0.96 -0.56 0.18 -0.22 -0.69 0.00 0.00 174.62 174.29 2d8k s LEU 28 N -2.88 4.30 -0.18 4.42 2.96 -1.20 -0.33 118.68 125.77 2d8k s LEU 28 Ca 0.14 0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 2d8k s LEU 28 Cb -0.02 -2.74 0.05 0.00 0.50 0.00 0.00 46.19 43.98 2d8k s LEU 28 CO 0.03 0.21 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.35 2d8k s THR 29 N -1.41 1.05 -0.33 3.68 2.01 0.13 -2.58 115.64 118.20 2d8k s THR 29 Ca 0.31 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 2d8k s THR 29 Cb -0.13 -1.31 0.07 0.00 0.01 0.00 0.00 72.50 71.14 2d8k s THR 29 CO 0.23 0.03 0.05 -0.69 -0.69 0.00 0.00 174.62 173.55 2d8k s VAL 30 N 1.64 3.00 -0.23 3.82 1.01 -1.23 -2.18 120.40 126.24 2d8k s VAL 30 Ca -0.01 -1.61 -0.09 0.00 0.00 0.00 0.00 61.98 60.27 2d8k s VAL 30 Cb -0.16 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2d8k s VAL 30 CO -0.07 -0.28 0.11 -0.75 0.00 0.00 0.00 175.10 174.11 2d8k s LYS 31 N 1.20 3.96 -0.96 2.72 2.20 -0.95 -3.19 119.74 124.72 2d8k s LYS 31 Ca -0.01 -0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.17 2d8k s LYS 31 Cb -0.20 -3.41 0.24 0.00 -1.51 0.00 0.00 37.83 32.95 2d8k s LYS 31 CO -0.02 0.07 0.91 0.42 -0.36 0.00 0.00 175.35 176.37 2d8k s ILE 32 N 0.99 5.51 0.00 5.43 -1.09 -1.17 -0.28 121.20 130.58 2d8k s ILE 32 Ca 0.06 -3.16 0.00 0.00 -2.23 0.00 0.00 60.65 55.32 2d8k s ILE 32 Cb -0.14 -4.36 0.00 0.00 -1.58 0.00 0.00 42.46 36.38 2d8k s ILE 32 CO 0.03 -1.10 0.56 0.23 -1.23 0.00 0.00 174.94 173.43 2d8k n MET 33 N 3.10 0.00 -3.18 2.79 2.81 -1.17 -1.09 117.12 120.38 2d8k n MET 33 Ca 0.19 0.56 0.01 0.00 -1.81 0.00 0.00 57.70 56.65 2d8k n MET 33 Cb 0.41 -0.94 0.01 0.00 -0.71 0.00 0.00 33.22 31.99 2d8k n MET 33 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2d8k n LYS 34 N -1.71 0.18 -4.47 0.03 0.00 -1.24 -0.96 118.16 109.98 2d8k n LYS 34 Ca 0.00 -0.59 -0.24 0.00 -0.00 0.00 0.00 58.31 57.49 2d8k n LYS 34 Cb 0.00 0.91 -0.10 0.00 -0.00 0.00 0.00 35.03 35.84 2d8k n LYS 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2d8k s ALA 35 N -1.65 2.72 0.00 0.58 0.00 -1.09 -2.19 121.76 120.13 2d8k s ALA 35 Ca 0.18 -1.88 -0.21 0.00 0.00 0.00 0.00 51.96 50.05 2d8k s ALA 35 Cb -0.01 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.92 2d8k s ALA 35 CO 0.00 0.25 0.47 -0.65 0.00 0.00 0.00 175.76 175.83 2d8k s GLN 36 N -3.53 0.89 -1.16 0.00 -1.52 -1.06 -4.34 119.66 108.94 2d8k s GLN 36 Ca 0.30 -0.13 -0.07 0.00 -1.95 0.00 0.00 55.36 53.51 2d8k s GLN 36 Cb -0.04 0.41 0.01 0.00 -0.22 0.00 0.00 33.01 33.16 2d8k s GLN 36 CO 0.15 -0.29 1.01 0.39 -0.25 0.00 0.00 175.29 176.30 2d8k n GLU 37 N 0.84 -6.82 -3.22 2.91 1.02 -1.26 -1.78 120.64 112.34 2d8k n GLU 37 Ca -0.20 0.71 -0.39 0.00 -0.02 0.00 0.00 57.16 57.27 2d8k n GLU 37 Cb 0.58 -5.40 -0.06 0.00 -0.02 0.00 0.00 31.44 26.54 2d8k n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d8k s LEU 38 N -6.39 4.47 1.16 -4.62 1.43 -1.24 -1.99 118.68 111.49 2d8k s LEU 38 Ca 0.49 1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 54.64 2d8k s LEU 38 Cb -0.22 -2.93 0.26 0.00 0.03 0.00 0.00 46.19 43.34 2d8k s LEU 38 CO 0.62 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 176.32 2d8k s PRO 39 N -0.56 -0.84 -0.43 1.29 0.04 -1.26 -4.90 135.00 128.33 2d8k s PRO 39 Ca 0.31 0.07 -0.01 0.00 0.04 0.00 0.00 61.00 61.41 2d8k s PRO 39 Cb -0.19 -1.63 0.12 0.00 0.04 0.00 0.00 34.50 32.84 2d8k s PRO 39 CO 0.18 -3.49 0.21 0.00 0.04 0.00 0.00 177.00 173.94 2d8k s ALA 40 N -2.99 3.17 -0.01 8.56 0.00 -1.26 -4.71 121.76 124.51 2d8k s ALA 40 Ca 0.70 -2.69 -0.03 0.00 0.00 0.00 0.00 51.96 49.93 2d8k s ALA 40 Cb -0.12 -2.33 -0.13 0.00 0.00 0.00 0.00 23.12 20.55 2d8k s ALA 40 CO 0.56 -1.83 2.79 1.63 0.00 0.00 0.00 175.76 178.91 2d8k n LYS 41 N 4.25 1.50 -3.54 0.00 4.76 -1.26 -4.67 118.16 119.20 2d8k n LYS 41 Ca 0.01 -0.51 -0.01 0.00 -2.87 0.00 0.00 58.31 54.93 2d8k n LYS 41 Cb 0.40 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 2d8k n LYS 41 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2d8k s ASP 42 N 1.97 -0.67 0.38 4.39 2.15 -1.26 -4.95 116.67 118.68 2d8k s ASP 42 Ca 0.33 0.97 0.21 0.00 0.43 0.00 0.00 52.55 54.49 2d8k s ASP 42 Cb 0.16 1.57 1.26 0.00 -0.30 0.00 0.00 42.92 45.61 2d8k s ASP 42 CO -0.00 -0.14 1.63 0.15 -0.17 0.00 0.00 175.17 176.64 2d8k h PHE 43 N 7.04 0.78 -0.52 -5.34 3.57 -1.89 -0.04 116.94 120.52 2d8k h PHE 43 Ca -0.21 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.39 2d8k h PHE 43 Cb 1.15 -0.20 -0.10 0.00 2.79 0.00 0.00 35.95 39.60 2d8k h PHE 43 CO 0.15 -0.26 -0.50 0.77 -2.23 0.00 0.00 178.31 176.24 2d8k h SER 44 N 0.17 -1.72 0.00 0.41 0.02 -1.95 -3.46 113.55 107.02 2d8k h SER 44 Ca 0.79 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.99 2d8k h SER 44 Cb 2.08 0.74 0.00 0.00 0.14 0.00 0.00 62.40 65.36 2d8k h SER 44 CO -0.59 -0.36 0.00 0.61 -1.14 0.00 0.00 176.83 175.35 2d8k n GLY 45 N -1.38 0.92 3.78 -3.77 0.00 -0.03 -5.14 105.19 99.57 2d8k n GLY 45 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 2.56 0.16 2.61 -1.32 -1.26 -4.69 115.64 113.70 2d8k s THR 46 Ca 0.00 -1.58 -0.09 0.00 -1.21 0.00 0.00 61.69 58.81 2d8k s THR 46 Cb 0.00 -3.00 -0.01 0.00 -1.51 0.00 0.00 72.50 67.98 2d8k s THR 46 CO 0.00 -0.04 0.27 -0.94 -2.21 0.00 0.00 174.62 171.70 2d8k s SER 47 N -3.96 0.06 -0.94 8.08 1.04 -1.26 -4.09 113.70 112.63 2d8k s SER 47 Ca 0.43 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 2d8k s SER 47 Cb 0.00 0.42 0.29 0.00 0.10 0.00 0.00 66.02 66.83 2d8k s SER 47 CO 0.24 -0.87 1.21 0.47 0.98 0.00 0.00 173.24 175.27 2d8k n ASP 48 N -0.20 5.48 -4.76 7.02 8.00 -1.26 -2.71 116.55 128.11 2d8k n ASP 48 Ca -0.08 -3.39 -0.41 0.00 0.71 0.00 0.00 54.79 51.63 2d8k n ASP 48 Cb 0.63 -1.09 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 2d8k n ASP 48 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2d8k s PRO 49 N -2.55 4.46 -0.05 -0.24 0.04 -1.25 -0.69 135.00 134.72 2d8k s PRO 49 Ca 0.33 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.34 2d8k s PRO 49 Cb 0.06 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.50 2d8k s PRO 49 CO 0.05 -0.04 0.21 -0.59 0.04 0.00 0.00 177.00 176.67 2d8k s PHE 50 N -1.11 -0.15 0.25 0.56 -0.71 0.78 -3.76 117.98 113.83 2d8k s PHE 50 Ca 0.47 0.34 -0.12 0.00 -1.04 0.00 0.00 56.93 56.58 2d8k s PHE 50 Cb -0.37 0.05 -0.08 0.00 -1.21 0.00 0.00 43.02 41.41 2d8k s PHE 50 CO 0.48 -0.21 0.61 0.08 -1.34 0.00 0.00 175.22 174.84 2d8k s VAL 51 N -0.54 4.83 -0.10 -2.49 1.01 -1.26 -1.87 120.40 119.99 2d8k s VAL 51 Ca -0.06 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 2d8k s VAL 51 Cb -0.04 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.74 2d8k s VAL 51 CO 0.01 -0.06 0.00 -0.75 0.00 0.00 0.00 175.10 174.30 2d8k s LYS 52 N -2.74 0.68 -0.16 2.72 2.20 -0.21 -2.15 119.74 120.07 2d8k s LYS 52 Ca 0.48 -0.02 -0.14 0.00 -0.36 0.00 0.00 55.97 55.93 2d8k s LYS 52 Cb -0.11 -1.24 -0.05 0.00 -1.51 0.00 0.00 37.83 34.92 2d8k s LYS 52 CO 0.20 -0.37 0.30 0.42 -0.36 0.00 0.00 175.35 175.54 2d8k s ILE 53 N 1.93 5.30 -0.03 5.43 1.01 0.29 -2.28 121.20 132.85 2d8k s ILE 53 Ca 0.04 0.57 -0.01 0.00 0.00 0.00 0.00 60.65 61.25 2d8k s ILE 53 Cb -0.13 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.72 2d8k s ILE 53 CO -0.06 0.38 0.03 -0.31 0.00 0.00 0.00 174.94 174.98 2d8k s TYR 54 N 0.54 0.16 -1.13 3.97 1.51 -0.83 -1.53 117.35 120.04 2d8k s TYR 54 Ca 0.17 0.12 -0.14 0.00 -1.01 0.00 0.00 57.07 56.21 2d8k s TYR 54 Cb -0.13 -0.42 0.18 0.00 -0.11 0.00 0.00 41.96 41.47 2d8k s TYR 54 CO 0.04 -0.16 1.32 -0.51 -1.11 0.00 0.00 175.55 175.13 2d8k s LEU 55 N 1.58 5.23 0.57 -1.29 1.43 -1.25 -2.14 118.68 122.80 2d8k s LEU 55 Ca -0.02 -2.86 -0.19 0.00 -1.03 0.00 0.00 54.13 50.03 2d8k s LEU 55 Cb -0.13 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2d8k s LEU 55 CO -0.03 -0.76 1.13 -0.76 0.23 0.00 0.00 176.35 176.17 2d8k s LEU 56 N 1.47 3.67 0.16 1.79 1.43 -1.16 -2.11 118.68 123.93 2d8k s LEU 56 Ca 0.39 2.17 -0.09 0.00 -1.03 0.00 0.00 54.13 55.56 2d8k s LEU 56 Cb -0.04 -4.58 -0.00 0.00 0.03 0.00 0.00 46.19 41.60 2d8k s LEU 56 CO -0.03 -1.34 1.49 1.55 0.23 0.00 0.00 176.35 178.26 2d8k h PRO 57 N 0.95 0.89 -3.99 1.29 0.13 -1.90 -1.96 132.00 127.41 2d8k h PRO 57 Ca -0.49 -0.46 -0.53 0.00 -0.87 0.00 0.00 66.00 63.64 2d8k h PRO 57 Cb 1.26 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2d8k h PRO 57 CO 0.56 1.11 0.79 -3.47 -0.23 0.00 0.00 178.00 176.76 2d8k n ASP 58 N -4.05 0.57 -0.85 1.44 -0.08 -0.90 -4.78 116.55 107.90 2d8k n ASP 58 Ca -0.02 0.53 0.07 0.00 -1.51 0.00 0.00 54.79 53.86 2d8k n ASP 58 Cb 0.54 -0.60 0.22 0.00 2.34 0.00 0.00 41.12 43.63 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2d8k n LYS 59 N 4.48 3.00 0.00 -0.67 5.02 -1.26 -3.94 118.16 124.79 2d8k n LYS 59 Ca 0.33 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 2d8k n LYS 59 Cb -0.03 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 2d8k n LYS 59 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2d8k n LYS 60 N 0.14 0.00 -2.35 1.97 5.02 -1.26 -4.69 118.16 116.99 2d8k n LYS 60 Ca 0.17 0.23 -0.37 0.00 -2.02 0.00 0.00 58.31 56.33 2d8k n LYS 60 Cb 0.67 -0.69 -0.04 0.00 -0.02 0.00 0.00 35.03 34.96 2d8k n LYS 60 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2d8k s HIS 61 N -0.63 2.17 0.20 2.13 3.76 -1.26 -4.96 115.29 116.70 2d8k s HIS 61 Ca 0.00 -0.08 0.11 0.00 -0.15 0.00 0.00 55.06 54.94 2d8k s HIS 61 Cb 0.00 -4.43 -0.04 0.00 1.11 0.00 0.00 32.58 29.22 2d8k s HIS 61 CO 0.00 -1.96 -0.21 -1.59 -0.85 0.00 0.00 174.74 170.13 2d8k s LYS 62 N 5.94 1.62 0.10 1.40 0.00 -1.26 -4.47 119.74 123.07 2d8k s LYS 62 Ca 0.53 -1.51 0.03 0.00 0.00 0.00 0.00 55.97 55.03 2d8k s LYS 62 Cb -0.05 -1.89 -0.04 0.00 0.00 0.00 0.00 37.83 35.85 2d8k s LYS 62 CO 0.01 0.40 -0.09 -1.17 0.00 0.00 0.00 175.35 174.50 2d8k s LEU 63 N -2.78 2.45 0.22 2.77 2.96 -0.58 -5.04 118.68 118.67 2d8k s LEU 63 Ca 0.22 -0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 53.14 2d8k s LEU 63 Cb -0.08 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.36 2d8k s LEU 63 CO 0.11 -0.32 0.40 -1.83 -1.32 0.00 0.00 176.35 173.39 2d8k s GLU 64 N -3.16 1.40 0.41 1.98 1.03 -1.26 0.10 118.70 119.20 2d8k s GLU 64 Ca 0.08 -1.24 0.08 0.00 0.03 0.00 0.00 54.97 53.92 2d8k s GLU 64 Cb -0.00 0.43 0.01 0.00 -0.80 0.00 0.00 34.13 33.77 2d8k s GLU 64 CO -0.01 -0.56 0.55 0.95 -1.33 0.00 0.00 175.26 174.86 2d8k s THR 65 N -4.01 3.13 0.84 1.83 -4.23 -0.91 -4.95 115.64 107.34 2d8k s THR 65 Ca 0.22 -1.01 -0.13 0.00 -1.18 0.00 0.00 61.69 59.59 2d8k s THR 65 Cb 0.01 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 71.01 2d8k s THR 65 CO 0.06 -0.02 0.47 0.29 -0.54 0.00 0.00 174.62 174.88 2d8k n LYS 66 N -1.82 -2.97 -3.94 3.99 4.76 -1.26 -4.67 118.16 112.25 2d8k n LYS 66 Ca 0.07 -0.79 -0.33 0.00 -2.87 0.00 0.00 58.31 54.39 2d8k n LYS 66 Cb 0.59 -1.12 -0.14 0.00 -1.84 0.00 0.00 35.03 32.52 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 -1.63 2.65 -0.76 -0.18 1.01 -1.26 -4.59 120.40 115.64 2d8k s VAL 67 Ca 0.36 -2.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.04 2d8k s VAL 67 Cb -0.06 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.56 2d8k s VAL 67 CO 0.30 -0.48 1.26 -0.54 0.00 0.00 0.00 175.10 175.64 2d8k s LYS 68 N 1.04 3.23 0.53 2.72 -0.14 -1.25 -5.01 119.74 120.87 2d8k s LYS 68 Ca 0.05 -0.41 -0.16 0.00 -1.36 0.00 0.00 55.97 54.08 2d8k s LYS 68 Cb -0.20 -4.32 -0.07 0.00 -1.68 0.00 0.00 37.83 31.56 2d8k s LYS 68 CO -0.06 -2.12 1.00 1.03 -0.76 0.00 0.00 175.35 174.45 2d8k s ARG 69 N 5.44 3.79 -1.34 1.68 1.81 -1.26 -3.87 118.95 125.21 2d8k s ARG 69 Ca 0.35 1.03 -0.02 0.00 -1.72 0.00 0.00 55.73 55.36 2d8k s ARG 69 Cb -0.08 -2.11 -0.00 0.00 -0.45 0.00 0.00 34.95 32.31 2d8k s ARG 69 CO 0.12 -0.40 0.55 1.63 -0.68 0.00 0.00 175.30 176.51 2d8k n LYS 70 N -1.66 -3.56 -3.54 3.54 5.02 -1.24 -4.97 118.16 111.75 2d8k n LYS 70 Ca 0.07 0.48 -0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2d8k n LYS 70 Cb 0.54 -4.69 -0.04 0.00 -0.02 0.00 0.00 35.03 30.81 2d8k n LYS 70 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2d8k s ASN 71 N -4.27 -0.87 -0.11 4.39 0.01 -1.10 -4.94 114.94 108.05 2d8k s ASN 71 Ca 0.06 1.21 0.09 0.00 -0.71 0.00 0.00 52.86 53.50 2d8k s ASN 71 Cb -0.02 1.96 -0.24 0.00 0.41 0.00 0.00 41.25 43.36 2d8k s ASN 71 CO 0.86 -0.17 0.41 0.18 -1.51 0.00 0.00 177.10 176.87 2d8k n LEU 72 N 5.15 1.22 -2.50 0.60 4.77 -1.26 -4.14 117.00 120.83 2d8k n LEU 72 Ca -0.11 0.25 -0.28 0.00 -0.03 0.00 0.00 56.01 55.83 2d8k n LEU 72 Cb 0.51 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2d8k n LEU 72 CO -0.04 0.55 0.30 0.59 -1.33 0.00 0.00 177.39 177.46 2d8k n ASN 73 N -3.09 4.94 -4.77 -1.43 3.02 -1.26 -4.27 115.26 108.40 2d8k n ASN 73 Ca -0.25 -3.73 -0.33 0.00 -0.03 0.00 0.00 54.58 50.23 2d8k n ASN 73 Cb 1.07 -0.51 0.04 0.00 -0.61 0.00 0.00 39.78 39.78 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 -3.58 2.86 -0.26 3.52 0.04 -1.26 -4.70 135.00 131.61 2d8k s PRO 74 Ca 0.48 1.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 2d8k s PRO 74 Cb 0.40 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 33.00 2d8k s PRO 74 CO -0.20 -1.21 -0.00 -3.38 0.04 0.00 0.00 177.00 172.25 2d8k s HIS 75 N -2.28 3.09 -0.15 0.56 -3.43 -1.26 -2.68 115.29 109.13 2d8k s HIS 75 Ca 0.68 -1.24 -0.19 0.00 -0.80 0.00 0.00 55.06 53.51 2d8k s HIS 75 Cb -0.21 -2.14 -0.23 0.00 -1.43 0.00 0.00 32.58 28.56 2d8k s HIS 75 CO 0.40 -0.64 0.42 -1.49 -2.00 0.00 0.00 174.74 171.42 2d8k h TRP 76 N 8.11 0.21 -7.13 0.38 6.55 -1.67 -3.48 115.95 118.92 2d8k h TRP 76 Ca -0.33 -0.15 -0.62 0.00 0.95 0.00 0.00 58.89 58.74 2d8k h TRP 76 Cb 1.12 -0.01 -0.33 0.00 -0.86 0.00 0.00 29.16 29.09 2d8k h TRP 76 CO 0.59 1.49 -0.92 0.09 -1.05 0.00 0.00 178.44 178.64 2d8k n ASN 77 N -4.17 -1.30 -4.92 -3.49 3.02 -0.14 -4.90 115.26 99.36 2d8k n ASN 77 Ca -0.27 -1.23 -0.26 0.00 -0.03 0.00 0.00 54.58 52.78 2d8k n ASN 77 Cb 0.77 -1.72 -0.01 0.00 -0.61 0.00 0.00 39.78 38.21 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2d8k s GLU 78 N -7.24 3.55 -0.30 3.52 0.41 -1.26 -4.90 118.70 112.48 2d8k s GLU 78 Ca 0.63 -0.07 0.01 0.00 -0.41 0.00 0.00 54.97 55.13 2d8k s GLU 78 Cb -0.36 -2.57 0.09 0.00 -1.78 0.00 0.00 34.13 29.51 2d8k s GLU 78 CO 1.01 0.06 0.06 0.99 -0.49 0.00 0.00 175.26 176.89 2d8k s THR 79 N -2.37 1.36 0.51 3.63 2.01 -1.26 -3.06 115.64 116.46 2d8k s THR 79 Ca 0.43 -1.60 0.01 0.00 0.31 0.00 0.00 61.69 60.84 2d8k s THR 79 Cb -0.10 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.48 2d8k s THR 79 CO 0.37 -0.54 0.74 -0.36 -0.69 0.00 0.00 174.62 174.13 2d8k s PHE 80 N 1.39 3.02 -0.15 4.92 0.40 -1.19 -4.99 117.98 121.38 2d8k s PHE 80 Ca 0.07 0.12 -0.07 0.00 -0.60 0.00 0.00 56.93 56.45 2d8k s PHE 80 Cb -0.18 -2.57 0.06 0.00 0.51 0.00 0.00 43.02 40.84 2d8k s PHE 80 CO -0.16 -0.66 0.33 -0.51 0.70 0.00 0.00 175.22 174.92 2d8k s LEU 81 N -4.69 -0.07 -0.44 -0.37 1.43 -1.26 -3.53 118.68 109.75 2d8k s LEU 81 Ca 0.53 0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 54.30 2d8k s LEU 81 Cb -0.10 1.04 0.11 0.00 0.03 0.00 0.00 46.19 47.27 2d8k s LEU 81 CO 0.38 -0.20 0.29 -0.36 0.23 0.00 0.00 176.35 176.69 2d8k s PHE 82 N 1.75 3.46 0.13 0.29 0.08 -1.06 -4.96 117.98 117.67 2d8k s PHE 82 Ca -0.06 -1.99 -0.06 0.00 0.12 0.00 0.00 56.93 54.93 2d8k s PHE 82 Cb -0.10 -3.34 -0.06 0.00 -0.57 0.00 0.00 43.02 38.95 2d8k s PHE 82 CO -0.11 -0.97 0.39 -1.21 -0.10 0.00 0.00 175.22 173.23 2d8k s GLU 83 N 1.30 3.66 0.00 0.44 2.02 -1.26 -3.23 118.70 121.64 2d8k s GLU 83 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.05 2d8k s GLU 83 Cb -0.25 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.11 2d8k s GLU 83 CO -0.01 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.16 2d8k n GLY 84 N 0.28 0.94 2.70 -1.39 0.00 -1.26 -5.08 105.19 101.38 2d8k n GLY 84 Ca -0.04 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 0.60 0.46 1.61 0.40 -1.26 -5.14 117.98 112.65 2d8k s PHE 85 Ca 0.00 -0.44 -0.23 0.00 -0.60 0.00 0.00 56.93 55.66 2d8k s PHE 85 Cb 0.00 -0.82 -0.07 0.00 0.51 0.00 0.00 43.02 42.63 2d8k s PHE 85 CO 0.00 -0.48 1.17 -1.25 0.70 0.00 0.00 175.22 175.35 2d8k s PRO 86 N 2.00 3.78 0.24 0.24 0.04 -1.26 -4.64 135.00 135.40 2d8k s PRO 86 Ca 0.02 1.78 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 2d8k s PRO 86 Cb -0.15 -2.43 0.42 0.00 0.04 0.00 0.00 34.50 32.38 2d8k s PRO 86 CO -0.07 -0.54 1.75 -0.92 0.04 0.00 0.00 177.00 177.26 2d8k h TYR 87 N 2.09 0.60 -0.29 0.56 5.03 -1.95 0.32 116.97 123.34 2d8k h TYR 87 Ca -0.49 0.03 0.08 0.00 2.58 0.00 0.00 58.73 60.93 2d8k h TYR 87 Cb 1.25 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.36 2d8k h TYR 87 CO 0.53 0.15 0.40 1.05 -1.32 0.00 0.00 178.16 178.98 2d8k h GLU 88 N 0.54 0.00 0.00 1.82 4.11 -2.01 -1.33 114.58 117.71 2d8k h GLU 88 Ca 0.40 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.70 2d8k h GLU 88 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2d8k h GLU 88 CO -0.34 0.00 -1.37 1.63 0.07 0.00 0.00 179.01 179.00 2d8k n LYS 89 N -3.50 0.54 -0.53 1.06 5.02 0.79 -4.28 118.16 117.26 2d8k n LYS 89 Ca 0.05 0.25 0.43 0.00 -2.02 0.00 0.00 58.31 57.02 2d8k n LYS 89 Cb 0.54 -1.47 0.74 0.00 -0.02 0.00 0.00 35.03 34.82 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 0.15 -0.48 -0.18 3.04 -0.38 1.22 116.25 118.61 2d8k h VAL 90 Ca -0.19 -0.01 -0.11 0.00 -1.01 0.00 0.00 66.70 65.38 2d8k h VAL 90 Cb 1.13 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 2d8k h VAL 90 CO -0.11 0.01 -0.15 -0.37 -1.01 0.00 0.00 177.57 175.94 2d8k h VAL 91 N 0.04 1.27 0.00 1.51 -1.51 -1.46 -2.35 116.25 113.75 2d8k h VAL 91 Ca 0.81 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2d8k h VAL 91 Cb 2.99 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 33.20 2d8k h VAL 91 CO -0.15 0.44 0.00 0.00 -1.23 0.00 0.00 177.57 176.63 2d8k n GLN 92 N -4.14 0.13 -2.39 5.19 6.02 0.42 -3.24 117.38 119.37 2d8k n GLN 92 Ca 0.01 0.49 -0.26 0.00 -0.01 0.00 0.00 57.00 57.23 2d8k n GLN 92 Cb 0.41 -1.81 0.15 0.00 1.02 0.00 0.00 30.24 30.00 2d8k n GLN 92 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d8k s ARG 93 N -3.32 1.17 -0.03 -1.09 1.81 -0.89 -4.84 118.95 111.76 2d8k s ARG 93 Ca 0.02 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 2d8k s ARG 93 Cb 0.07 -2.16 0.03 0.00 -0.45 0.00 0.00 34.95 32.44 2d8k s ARG 93 CO 0.26 -1.88 0.01 0.42 -0.68 0.00 0.00 175.30 173.43 2d8k s ILE 94 N -3.43 0.10 -0.18 1.52 1.01 -0.74 -3.13 121.20 116.35 2d8k s ILE 94 Ca 0.71 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 2d8k s ILE 94 Cb -0.04 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 2d8k s ILE 94 CO 0.48 0.13 1.64 -0.22 0.00 0.00 0.00 174.94 176.98 2d8k s LEU 95 N 1.11 3.97 -0.36 2.97 2.96 0.12 -2.96 118.68 126.50 2d8k s LEU 95 Ca -0.09 1.76 -0.04 0.00 -0.22 0.00 0.00 54.13 55.55 2d8k s LEU 95 Cb -0.13 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.10 2d8k s LEU 95 CO -0.02 -1.21 0.11 -0.47 -1.32 0.00 0.00 176.35 173.44 2d8k s TYR 96 N 5.06 3.38 -0.32 5.38 6.14 -0.91 -2.08 117.35 134.00 2d8k s TYR 96 Ca 0.73 -1.94 -0.07 0.00 0.64 0.00 0.00 57.07 56.43 2d8k s TYR 96 Cb -0.27 -2.60 0.02 0.00 0.42 0.00 0.00 41.96 39.53 2d8k s TYR 96 CO 0.29 -0.85 0.10 -0.51 0.64 0.00 0.00 175.55 175.22 2d8k s LEU 97 N 1.26 4.10 -0.10 6.97 1.43 -0.90 -1.96 118.68 129.48 2d8k s LEU 97 Ca 0.01 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.25 2d8k s LEU 97 Cb -0.21 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2d8k s LEU 97 CO -0.01 -0.26 -0.23 -1.58 0.23 0.00 0.00 176.35 174.50 2d8k s GLN 98 N 1.47 2.91 -0.26 1.70 0.74 -0.96 -0.21 119.66 125.05 2d8k s GLN 98 Ca 0.01 -0.83 -0.06 0.00 0.05 0.00 0.00 55.36 54.53 2d8k s GLN 98 Cb -0.18 -2.23 -0.01 0.00 1.10 0.00 0.00 33.01 31.69 2d8k s GLN 98 CO 0.03 0.13 0.05 0.08 -0.55 0.00 0.00 175.29 175.03 2d8k s VAL 99 N 0.45 3.93 0.36 1.34 1.01 -0.76 -1.04 120.40 125.68 2d8k s VAL 99 Ca -0.17 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2d8k s VAL 99 Cb -0.17 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 2d8k s VAL 99 CO 0.07 0.23 0.05 -0.76 0.00 0.00 0.00 175.10 174.69 2d8k s LEU 100 N 1.53 2.36 -0.22 3.92 1.02 -0.78 -2.21 118.68 124.30 2d8k s LEU 100 Ca 0.04 -1.40 -0.05 0.00 0.02 0.00 0.00 54.13 52.75 2d8k s LEU 100 Cb -0.16 -0.51 -0.02 0.00 0.02 0.00 0.00 46.19 45.52 2d8k s LEU 100 CO 0.01 -0.59 -0.00 -0.62 0.02 0.00 0.00 176.35 175.17 2d8k s ASP 101 N -3.56 4.65 0.60 2.29 2.15 -1.20 -0.15 116.67 121.44 2d8k s ASP 101 Ca 0.35 -0.29 -0.19 0.00 0.43 0.00 0.00 52.55 52.85 2d8k s ASP 101 Cb 0.09 -1.81 -0.03 0.00 -0.30 0.00 0.00 42.92 40.87 2d8k s ASP 101 CO 0.16 0.00 1.22 -0.47 -0.17 0.00 0.00 175.17 175.91 2d8k s TYR 102 N 1.35 2.33 0.34 -5.34 6.14 0.13 -4.17 117.35 118.13 2d8k s TYR 102 Ca 0.04 1.51 0.05 0.00 0.64 0.00 0.00 57.07 59.31 2d8k s TYR 102 Cb -0.15 -3.52 -0.02 0.00 0.42 0.00 0.00 41.96 38.69 2d8k s TYR 102 CO 0.00 -2.34 0.34 -0.51 0.64 0.00 0.00 175.55 173.68 2d8k s ASP 103 N -1.56 1.52 0.11 4.32 1.11 -1.26 -4.58 116.67 116.33 2d8k s ASP 103 Ca 0.78 -1.70 -0.24 0.00 0.18 0.00 0.00 52.55 51.57 2d8k s ASP 103 Cb -0.32 0.59 -0.08 0.00 1.07 0.00 0.00 42.92 44.19 2d8k s ASP 103 CO 0.34 -1.14 1.68 -0.09 1.18 0.00 0.00 175.17 177.14 2d8k h ARG 104 N 2.11 -0.24 0.00 8.23 1.12 -1.96 -3.44 114.38 120.20 2d8k h ARG 104 Ca -0.26 0.02 -0.41 0.00 -1.11 0.00 0.00 59.98 58.22 2d8k h ARG 104 Cb 1.23 0.05 0.03 0.00 -0.01 0.00 0.00 29.97 31.28 2d8k h ARG 104 CO 0.37 -0.16 -0.04 1.19 -3.11 0.00 0.00 179.97 178.22 2d8k n PHE 105 N -5.27 -2.48 -0.21 2.20 3.72 -1.26 -5.01 117.46 109.16 2d8k n PHE 105 Ca -0.06 -1.76 -0.00 0.00 -0.05 0.00 0.00 57.45 55.58 2d8k n PHE 105 Cb 0.19 -0.49 0.11 0.00 -0.94 0.00 0.00 39.48 38.35 2d8k n PHE 105 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2d8k h SER 106 N 0.01 0.31 0.00 4.37 0.87 -2.03 -3.42 113.55 113.66 2d8k h SER 106 Ca -0.24 0.07 -0.44 0.00 -1.23 0.00 0.00 61.79 59.95 2d8k h SER 106 Cb 1.06 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.99 2d8k h SER 106 CO 0.33 0.18 1.22 -2.11 -0.53 0.00 0.00 176.83 175.92 2d8k n ARG 107 N -4.94 0.00 -3.62 2.24 1.85 -1.26 -4.82 116.66 106.11 2d8k n ARG 107 Ca 0.09 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.64 2d8k n ARG 107 Cb 0.26 -1.13 -0.09 0.00 -1.05 0.00 0.00 32.46 30.45 2d8k n ARG 107 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2d8k n ASN 108 N 7.21 3.76 -3.91 2.89 0.23 -1.26 -4.41 115.26 119.77 2d8k n ASN 108 Ca 0.47 -3.30 -0.48 0.00 -0.53 0.00 0.00 54.58 50.75 2d8k n ASN 108 Cb 0.01 -0.82 -0.12 0.00 -2.08 0.00 0.00 39.78 36.77 2d8k n ASN 108 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2d8k n ASP 109 N 1.58 0.52 -4.62 0.53 8.00 -1.26 -4.61 116.55 116.69 2d8k n ASP 109 Ca 0.24 0.44 -0.43 0.00 0.71 0.00 0.00 54.79 55.76 2d8k n ASP 109 Cb 0.37 -0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 2d8k n ASP 109 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2d8k s PRO 110 N 6.42 3.68 -0.02 -0.24 0.04 -1.26 -3.25 135.00 140.37 2d8k s PRO 110 Ca 1.14 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 63.53 2d8k s PRO 110 Cb -1.27 -4.07 -0.12 0.00 0.04 0.00 0.00 34.50 29.08 2d8k s PRO 110 CO 0.54 -1.43 0.85 0.82 0.04 0.00 0.00 177.00 177.82 2d8k h ILE 111 N 6.31 0.16 -3.50 0.56 2.04 -1.73 -3.41 117.51 117.93 2d8k h ILE 111 Ca -0.33 -0.57 -0.14 0.00 1.00 0.00 0.00 64.86 64.82 2d8k h ILE 111 Cb 1.15 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2d8k h ILE 111 CO 1.01 0.03 0.08 -0.83 0.00 0.00 0.00 178.15 178.44 2d8k s GLY 112 N -2.81 0.92 -0.02 5.37 0.00 -1.01 -3.20 107.32 106.57 2d8k s GLY 112 Ca -0.11 -1.13 -0.29 0.00 0.00 0.00 0.00 44.72 43.19 2d8k s GLY 112 CO 0.35 -0.63 0.71 -1.83 0.00 0.00 0.00 173.10 171.70 2d8k s GLU 113 N -2.51 1.03 0.02 2.90 4.04 -1.12 -1.82 118.70 121.25 2d8k s GLU 113 Ca 0.22 0.08 0.04 0.00 0.04 0.00 0.00 54.97 55.36 2d8k s GLU 113 Cb -0.03 0.48 -0.02 0.00 0.02 0.00 0.00 34.13 34.59 2d8k s GLU 113 CO 0.16 -0.36 -0.12 0.08 -1.84 0.00 0.00 175.26 173.18 2d8k s VAL 114 N -1.75 0.96 -0.11 1.83 1.01 0.71 -3.11 120.40 119.93 2d8k s VAL 114 Ca -0.07 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2d8k s VAL 114 Cb -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.53 2d8k s VAL 114 CO 0.04 0.06 -0.17 -0.94 0.00 0.00 0.00 175.10 174.09 2d8k s SER 115 N -0.84 2.61 -0.20 3.32 1.04 -1.26 -2.11 113.70 116.25 2d8k s SER 115 Ca 0.02 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 55.89 2d8k s SER 115 Cb -0.07 -1.18 0.08 0.00 0.10 0.00 0.00 66.02 64.96 2d8k s SER 115 CO 0.01 0.04 0.44 -0.63 0.98 0.00 0.00 173.24 174.07 2d8k s ILE 116 N 0.92 -0.48 0.36 -1.02 1.01 -0.88 -5.03 121.20 116.07 2d8k s ILE 116 Ca -0.07 0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.44 2d8k s ILE 116 Cb -0.15 -0.69 -0.09 0.00 0.01 0.00 0.00 42.46 41.54 2d8k s ILE 116 CO -0.01 0.06 1.21 -2.16 0.00 0.00 0.00 174.94 174.03 2d8k s PRO 117 N 2.28 4.25 0.16 2.79 0.04 -1.26 0.16 135.00 143.41 2d8k s PRO 117 Ca -0.04 1.97 0.26 0.00 0.04 0.00 0.00 61.00 63.23 2d8k s PRO 117 Cb -0.11 -2.90 0.93 0.00 0.04 0.00 0.00 34.50 32.46 2d8k s PRO 117 CO -0.13 -0.19 1.80 1.28 0.04 0.00 0.00 177.00 179.79 2d8k n LEU 118 N 0.50 0.57 0.22 -3.56 4.77 -1.18 -2.98 117.00 115.34 2d8k n LEU 118 Ca 0.02 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 2d8k n LEU 118 Cb 0.45 -0.39 0.22 0.00 -2.33 0.00 0.00 43.42 41.36 2d8k n LEU 118 CO 0.54 -0.18 0.83 -0.55 -1.33 0.00 0.00 177.39 176.70 2d8k h ASN 119 N 0.00 0.00 0.13 -1.43 -1.07 -1.77 -3.30 115.58 108.14 2d8k h ASN 119 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.04 2d8k h ASN 119 Cb 0.63 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.87 2d8k h ASN 119 CO 0.00 0.00 -1.74 0.11 0.07 0.00 0.00 177.43 175.87 2d8k h LYS 120 N 0.00 0.27 -6.62 4.14 1.79 -1.88 -3.46 116.57 110.81 2d8k h LYS 120 Ca 0.00 -0.46 -0.52 0.00 -2.18 0.00 0.00 60.65 57.49 2d8k h LYS 120 Cb 0.95 0.17 0.02 0.00 -1.58 0.00 0.00 32.23 31.79 2d8k h LYS 120 CO 0.00 1.22 0.60 0.54 -1.08 0.00 0.00 179.45 180.73 2d8k s VAL 121 N -2.53 3.53 -1.13 0.50 0.11 -1.22 -4.90 120.40 114.78 2d8k s VAL 121 Ca -0.21 1.22 -0.24 0.00 -2.93 0.00 0.00 61.98 59.81 2d8k s VAL 121 Cb 0.06 -3.78 -0.13 0.00 -1.53 0.00 0.00 36.38 31.00 2d8k s VAL 121 CO 0.77 0.16 2.01 -1.81 -3.33 0.00 0.00 175.10 172.90 2d8k s ASP 122 N 0.48 4.48 0.25 3.54 1.01 -1.26 -4.70 116.67 120.47 2d8k s ASP 122 Ca 0.56 -1.34 0.17 0.00 0.71 0.00 0.00 52.55 52.65 2d8k s ASP 122 Cb -0.34 -2.59 0.92 0.00 1.01 0.00 0.00 42.92 41.93 2d8k s ASP 122 CO 0.35 -3.63 1.53 0.18 0.21 0.00 0.00 175.17 173.80 2d8k n LEU 123 N 16.21 0.44 0.31 1.23 4.77 -1.26 -1.70 117.00 137.00 2d8k n LEU 123 Ca 0.43 0.70 0.18 0.00 -0.03 0.00 0.00 56.01 57.29 2d8k n LEU 123 Cb 0.47 -0.75 1.01 0.00 -2.33 0.00 0.00 43.42 41.81 2d8k n LEU 123 CO 0.64 -0.84 1.15 0.71 -1.33 0.00 0.00 177.39 177.72 2d8k h THR 124 N 0.00 0.37 -3.44 -5.08 1.35 -1.84 -2.27 112.91 102.00 2d8k h THR 124 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.79 2d8k h THR 124 Cb 0.01 1.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.29 2d8k h THR 124 CO 0.00 0.00 -0.19 0.00 -0.25 0.00 0.00 175.52 175.08 2d8k s GLN 125 N -4.49 0.95 0.23 4.72 -2.07 -0.69 -4.92 119.66 113.39 2d8k s GLN 125 Ca -0.05 -0.69 -0.30 0.00 -1.82 0.00 0.00 55.36 52.49 2d8k s GLN 125 Cb 0.14 0.41 -0.10 0.00 -1.09 0.00 0.00 33.01 32.37 2d8k s GLN 125 CO 0.50 -0.34 1.49 1.41 -1.32 0.00 0.00 175.29 177.04 2d8k s MET 126 N -3.43 4.24 -0.06 9.60 -2.45 -1.26 -4.62 119.30 121.32 2d8k s MET 126 Ca 0.01 2.35 -0.02 0.00 -1.25 0.00 0.00 55.69 56.77 2d8k s MET 126 Cb 0.02 -3.12 0.04 0.00 1.25 0.00 0.00 34.83 33.02 2d8k s MET 126 CO -0.09 -0.50 0.12 -0.65 1.05 0.00 0.00 175.02 174.95 2d8k s GLN 127 N 0.08 0.06 0.41 4.11 -1.52 -0.82 -4.96 119.66 117.01 2d8k s GLN 127 Ca 0.63 0.34 -0.17 0.00 -1.95 0.00 0.00 55.36 54.21 2d8k s GLN 127 Cb -0.43 -0.20 -0.09 0.00 -0.22 0.00 0.00 33.01 32.07 2d8k s GLN 127 CO 0.40 -0.17 0.87 0.99 -0.25 0.00 0.00 175.29 177.13 2d8k s THR 128 N 1.19 4.57 0.00 -0.19 2.01 -1.26 -1.81 115.64 120.15 2d8k s THR 128 Ca -0.09 1.14 0.03 0.00 0.31 0.00 0.00 61.69 63.08 2d8k s THR 128 Cb -0.12 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2d8k s THR 128 CO -0.05 -0.39 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.03 2d8k s PHE 129 N -2.25 0.89 -0.28 4.92 0.08 -0.33 -4.97 117.98 116.04 2d8k s PHE 129 Ca 0.57 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 57.41 2d8k s PHE 129 Cb -0.10 -0.56 0.09 0.00 -0.57 0.00 0.00 43.02 41.88 2d8k s PHE 129 CO 0.21 -0.01 0.06 -1.58 -0.10 0.00 0.00 175.22 173.80 2d8k s TRP 130 N -0.38 1.75 0.26 0.36 0.52 -1.26 -3.14 118.94 117.05 2d8k s TRP 130 Ca 0.03 -1.62 0.09 0.00 0.02 0.00 0.00 56.10 54.61 2d8k s TRP 130 Cb -0.05 -1.62 -0.05 0.00 -1.15 0.00 0.00 33.47 30.61 2d8k s TRP 130 CO -0.00 -0.81 -0.13 0.15 0.02 0.00 0.00 176.95 176.18 2d8k s LYS 131 N 1.61 1.53 -0.50 4.98 -0.14 -1.22 -5.02 119.74 120.98 2d8k s LYS 131 Ca 0.06 -1.73 -0.15 0.00 -1.36 0.00 0.00 55.97 52.79 2d8k s LYS 131 Cb -0.17 -1.34 0.10 0.00 -1.68 0.00 0.00 37.83 34.73 2d8k s LYS 131 CO -0.19 0.17 0.43 0.16 -0.76 0.00 0.00 175.35 175.17 2d8k s ASP 132 N -3.43 6.14 -0.72 2.83 1.47 -1.26 -1.41 116.67 120.29 2d8k s ASP 132 Ca 0.27 -1.52 -0.22 0.00 1.18 0.00 0.00 52.55 52.26 2d8k s ASP 132 Cb -0.00 -2.19 -0.16 0.00 -0.34 0.00 0.00 42.92 40.23 2d8k s ASP 132 CO 0.11 -0.73 1.93 0.18 0.68 0.00 0.00 175.17 177.35 2d8k n LEU 133 N 5.21 0.17 -4.67 2.11 4.77 -0.86 -4.81 117.00 118.92 2d8k n LEU 133 Ca -0.13 0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.64 2d8k n LEU 133 Cb 0.42 -0.66 0.14 0.00 -2.33 0.00 0.00 43.42 41.00 2d8k n LEU 133 CO 0.50 -0.53 0.70 0.29 -1.33 0.00 0.00 177.39 177.01 2d8k n LYS 134 N 6.07 -0.01 -2.04 3.23 4.76 -1.18 -4.52 118.16 124.46 2d8k n LYS 134 Ca 0.48 0.07 -0.39 0.00 -2.87 0.00 0.00 58.31 55.60 2d8k n LYS 134 Cb 0.02 -2.39 -0.03 0.00 -1.84 0.00 0.00 35.03 30.79 2d8k n LYS 134 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2d8k s PRO 135 N -4.21 2.64 -0.03 1.97 0.04 -1.26 -2.77 135.00 131.38 2d8k s PRO 135 Ca 0.71 0.63 -0.22 0.00 0.04 0.00 0.00 61.00 62.16 2d8k s PRO 135 Cb -0.27 -4.38 -0.05 0.00 0.04 0.00 0.00 34.50 29.84 2d8k s PRO 135 CO 0.53 -2.71 0.64 0.45 0.04 0.00 0.00 177.00 175.96 2d8k s SER 136 N 8.05 6.99 -0.24 6.66 0.15 -1.19 -4.96 113.70 129.15 2d8k s SER 136 Ca 0.67 1.18 -0.28 0.00 0.70 0.00 0.00 55.95 58.23 2d8k s SER 136 Cb -0.13 -2.39 0.15 0.00 -1.71 0.00 0.00 66.02 61.95 2d8k s SER 136 CO 0.21 0.01 1.17 -0.83 1.20 0.00 0.00 173.24 175.00 2d8k s GLY 137 N 0.23 -0.05 0.00 9.45 0.00 -1.26 -4.72 107.32 110.97 2d8k s GLY 137 Ca 0.34 2.62 0.15 0.00 0.00 0.00 0.00 44.72 47.83 2d8k s GLY 137 CO 0.18 1.37 1.35 -1.55 0.00 0.00 0.00 173.10 174.45 2d8k n PRO 138 N 1.12 0.44 -1.53 2.90 -0.04 -1.26 -4.76 135.00 131.87 2d8k n PRO 138 Ca -0.08 0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.02 2d8k n PRO 138 Cb 0.58 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 2d8k n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8k n SER 139 N -1.05 1.76 -4.65 3.54 2.88 -1.26 -4.90 113.62 109.93 2d8k n SER 139 Ca 0.11 -0.26 -0.39 0.00 -1.33 0.00 0.00 58.87 57.00 2d8k n SER 139 Cb 0.06 -1.38 -0.07 0.00 -0.75 0.00 0.00 64.21 62.07 2d8k n SER 139 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d8k s SER 140 N 11.03 6.47 0.00 -3.46 1.04 -1.26 -5.22 113.70 122.29 2d8k s SER 140 Ca 1.09 0.55 0.00 0.00 0.48 0.00 0.00 55.95 58.08 2d8k s SER 140 Cb -0.52 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2d8k s SER 140 CO 0.34 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.02