#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k n SER 2 N 0.00 0.06 -4.84 1.61 2.88 -1.26 -4.37 113.62 107.71 2d8k n SER 2 Ca 0.00 1.55 -0.31 0.00 -1.33 0.00 0.00 58.87 58.78 2d8k n SER 2 Cb 0.00 -0.64 0.02 0.00 -0.75 0.00 0.00 64.21 62.84 2d8k n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d8k s SER 3 N -4.83 5.94 -0.31 -3.46 1.04 -1.26 -5.03 113.70 105.78 2d8k s SER 3 Ca -0.10 1.55 -0.05 0.00 0.48 0.00 0.00 55.95 57.83 2d8k s SER 3 Cb 0.29 -2.49 0.26 0.00 0.10 0.00 0.00 66.02 64.18 2d8k s SER 3 CO 0.72 -1.07 1.24 0.61 0.98 0.00 0.00 173.24 175.72 2d8k n GLY 4 N -2.13 -1.92 3.47 7.32 0.00 -1.26 -5.17 105.19 105.50 2d8k n GLY 4 Ca 0.07 1.19 -0.15 0.00 0.00 0.00 0.00 46.02 47.13 2d8k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8k s SER 5 N 0.23 -0.57 -0.15 1.61 1.04 -1.26 -5.18 113.70 109.42 2d8k s SER 5 Ca 0.25 0.84 -0.33 0.00 0.48 0.00 0.00 55.95 57.18 2d8k s SER 5 Cb 0.19 0.81 0.13 0.00 0.10 0.00 0.00 66.02 67.25 2d8k s SER 5 CO -0.08 -0.41 1.13 -0.55 0.98 0.00 0.00 173.24 174.32 2d8k s SER 6 N -0.55 -0.19 0.00 7.02 0.15 -1.26 -4.96 113.70 113.91 2d8k s SER 6 Ca -0.07 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2d8k s SER 6 Cb -0.03 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2d8k s SER 6 CO 0.05 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2d8k n GLY 7 N -0.10 0.65 3.62 9.45 0.00 -1.26 -5.15 105.19 112.41 2d8k n GLY 7 Ca -0.02 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 2d8k n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k s SER 8 N -0.82 -0.26 0.20 1.61 0.01 -1.26 -5.18 113.70 108.00 2d8k s SER 8 Ca 0.00 0.40 0.10 0.00 1.31 0.00 0.00 55.95 57.76 2d8k s SER 8 Cb 0.00 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 2d8k s SER 8 CO 0.00 -0.15 -0.19 -0.13 0.41 0.00 0.00 173.24 173.18 2d8k s ARG 9 N -0.42 1.41 -0.31 12.44 1.81 -1.26 -5.12 118.95 127.50 2d8k s ARG 9 Ca 0.04 -1.54 -0.07 0.00 -1.72 0.00 0.00 55.73 52.44 2d8k s ARG 9 Cb -0.03 -1.47 0.02 0.00 -0.45 0.00 0.00 34.95 33.02 2d8k s ARG 9 CO -0.07 0.29 0.09 -1.21 -0.68 0.00 0.00 175.30 173.72 2d8k s GLU 10 N -3.09 2.88 -1.12 3.54 8.01 -1.26 -5.01 118.70 122.65 2d8k s GLU 10 Ca 0.21 -1.00 -0.03 0.00 0.01 0.00 0.00 54.97 54.16 2d8k s GLU 10 Cb -0.05 -3.41 0.26 0.00 -4.31 0.00 0.00 34.13 26.62 2d8k s GLU 10 CO 0.09 -0.54 1.94 0.09 0.01 0.00 0.00 175.26 176.85 2d8k n ASN 11 N 4.84 7.35 0.22 -0.19 4.13 -1.26 -4.65 115.26 125.70 2d8k n ASN 11 Ca -0.14 -3.49 0.11 0.00 1.68 0.00 0.00 54.58 52.75 2d8k n ASN 11 Cb 0.46 -1.24 0.18 0.00 -1.54 0.00 0.00 39.78 37.64 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2d8k h LEU 12 N 4.86 0.00 0.00 3.41 -0.00 -1.82 -3.28 115.31 118.48 2d8k h LEU 12 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.42 2d8k h LEU 12 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2d8k h LEU 12 CO 1.30 0.04 0.00 0.61 -0.00 0.00 0.00 178.44 180.39 2d8k n GLY 13 N 1.07 -0.38 3.11 0.83 0.00 -0.85 -4.25 105.19 104.72 2d8k n GLY 13 Ca 0.04 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 0.66 0.11 1.61 1.70 -0.82 -1.85 118.95 120.36 2d8k s ARG 14 Ca 0.00 -1.05 0.10 0.00 -0.47 0.00 0.00 55.73 54.32 2d8k s ARG 14 Cb 0.00 -0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.15 2d8k s ARG 14 CO 0.00 0.00 -0.25 -1.50 -1.08 0.00 0.00 175.30 172.47 2d8k s ILE 15 N -2.60 2.38 -0.04 4.99 2.07 -0.18 -2.84 121.20 124.98 2d8k s ILE 15 Ca 0.01 -1.64 0.05 0.00 -1.41 0.00 0.00 60.65 57.65 2d8k s ILE 15 Cb -0.02 -2.04 -0.01 0.00 0.13 0.00 0.00 42.46 40.52 2d8k s ILE 15 CO -0.03 0.14 -0.18 -1.58 -1.91 0.00 0.00 174.94 171.38 2d8k s GLN 16 N -1.95 1.73 -0.13 3.50 2.00 -1.11 -2.91 119.66 120.80 2d8k s GLN 16 Ca 0.14 -0.63 -0.30 0.00 -2.00 0.00 0.00 55.36 52.58 2d8k s GLN 16 Cb -0.10 -1.53 0.10 0.00 0.80 0.00 0.00 33.01 32.27 2d8k s GLN 16 CO 0.06 0.28 0.84 -0.59 -0.50 0.00 0.00 175.29 175.38 2d8k s PHE 17 N -0.08 -0.54 0.04 1.67 -0.12 -1.21 -2.62 117.98 115.12 2d8k s PHE 17 Ca -0.01 1.00 0.03 0.00 -0.05 0.00 0.00 56.93 57.90 2d8k s PHE 17 Cb -0.10 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 2d8k s PHE 17 CO 0.01 -0.46 0.01 0.45 -0.05 0.00 0.00 175.22 175.19 2d8k s SER 18 N -0.91 5.17 -0.04 1.98 0.15 0.90 -1.96 113.70 119.00 2d8k s SER 18 Ca -0.05 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.58 2d8k s SER 18 Cb -0.01 -1.33 -0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2d8k s SER 18 CO 0.05 0.23 -0.15 -0.69 1.20 0.00 0.00 173.24 173.88 2d8k s VAL 19 N -1.20 1.22 -0.30 4.45 1.01 -0.54 -2.12 120.40 122.91 2d8k s VAL 19 Ca 0.23 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 2d8k s VAL 19 Cb -0.12 -1.06 0.16 0.00 0.00 0.00 0.00 36.38 35.36 2d8k s VAL 19 CO 0.14 0.36 0.92 -0.83 0.00 0.00 0.00 175.10 175.69 2d8k s GLY 20 N 0.08 -0.29 0.25 4.51 0.00 -0.88 -1.61 107.32 109.38 2d8k s GLY 20 Ca -0.03 2.91 0.00 0.00 0.00 0.00 0.00 44.72 47.60 2d8k s GLY 20 CO 0.02 3.19 0.44 -0.47 0.00 0.00 0.00 173.10 176.27 2d8k s TYR 21 N 2.51 3.48 -0.10 1.90 6.14 -0.85 -1.25 117.35 129.18 2d8k s TYR 21 Ca -0.03 0.31 0.04 0.00 0.64 0.00 0.00 57.07 58.02 2d8k s TYR 21 Cb -0.07 -1.84 0.00 0.00 0.42 0.00 0.00 41.96 40.47 2d8k s TYR 21 CO -0.18 0.30 -0.23 1.21 0.64 0.00 0.00 175.55 177.29 2d8k s ASN 22 N -3.53 3.03 0.00 4.32 3.84 0.31 -4.69 114.94 118.21 2d8k s ASN 22 Ca 0.39 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 52.90 2d8k s ASN 22 Cb -0.10 -1.38 0.00 0.00 -0.55 0.00 0.00 41.25 39.21 2d8k s ASN 22 CO 0.31 0.14 0.20 0.49 -2.79 0.00 0.00 177.10 175.45 2d8k n PHE 23 N 3.62 0.00 -0.33 0.43 3.72 -1.26 0.76 117.46 124.40 2d8k n PHE 23 Ca -0.19 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.44 2d8k n PHE 23 Cb 0.53 -0.37 0.45 0.00 -0.94 0.00 0.00 39.48 39.14 2d8k n PHE 23 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2d8k h GLN 24 N 0.00 0.09 0.00 -1.08 4.20 -1.99 1.24 115.11 117.57 2d8k h GLN 24 Ca 0.00 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2d8k h GLN 24 Cb 0.00 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2d8k h GLN 24 CO 0.00 0.06 -0.92 0.93 -0.67 0.00 0.00 178.83 178.23 2d8k h GLU 25 N 0.09 0.00 -5.94 1.46 4.39 -2.00 -3.48 114.58 109.10 2d8k h GLU 25 Ca 0.72 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 60.03 2d8k h GLU 25 Cb 1.73 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 30.47 2d8k h GLU 25 CO -0.76 0.40 -0.80 0.43 -1.16 0.00 0.00 179.01 177.12 2d8k n SER 26 N -3.06 -1.89 -3.99 1.42 7.64 0.43 -5.00 113.62 109.16 2d8k n SER 26 Ca -0.03 -0.74 -0.09 0.00 1.01 0.00 0.00 58.87 59.02 2d8k n SER 26 Cb 0.78 -4.45 -0.11 0.00 -1.01 0.00 0.00 64.21 59.42 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 -3.53 0.14 -0.12 0.44 2.01 -0.78 -4.58 115.64 109.22 2d8k s THR 27 Ca 0.07 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 60.95 2d8k s THR 27 Cb -0.03 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 2d8k s THR 27 CO 0.78 -0.54 0.25 -0.22 -0.69 0.00 0.00 174.62 174.21 2d8k s LEU 28 N -1.60 4.33 -0.24 4.42 2.96 -1.23 -0.53 118.68 126.79 2d8k s LEU 28 Ca -0.14 0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 2d8k s LEU 28 Cb -0.08 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.33 2d8k s LEU 28 CO -0.02 0.25 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.31 2d8k s THR 29 N -0.32 2.99 -0.26 3.68 2.01 -0.38 -2.69 115.64 120.66 2d8k s THR 29 Ca 0.17 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2d8k s THR 29 Cb -0.13 -2.46 0.07 0.00 0.01 0.00 0.00 72.50 69.98 2d8k s THR 29 CO 0.05 0.27 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.51 2d8k s VAL 30 N 1.37 1.87 -0.18 3.82 1.01 -0.98 -2.07 120.40 125.23 2d8k s VAL 30 Ca 0.02 -1.56 -0.05 0.00 0.00 0.00 0.00 61.98 60.39 2d8k s VAL 30 Cb -0.16 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2d8k s VAL 30 CO -0.04 -0.17 0.01 -0.75 0.00 0.00 0.00 175.10 174.15 2d8k s LYS 31 N 1.22 3.76 -0.95 2.72 2.20 -0.90 -1.96 119.74 125.83 2d8k s LYS 31 Ca -0.04 -0.46 -0.12 0.00 -0.36 0.00 0.00 55.97 54.99 2d8k s LYS 31 Cb -0.19 -3.08 0.24 0.00 -1.51 0.00 0.00 37.83 33.29 2d8k s LYS 31 CO -0.07 0.17 0.91 0.42 -0.36 0.00 0.00 175.35 176.43 2d8k s ILE 32 N 0.59 5.76 0.00 5.43 -1.09 -1.11 -0.07 121.20 130.71 2d8k s ILE 32 Ca 0.00 -2.89 0.00 0.00 -2.23 0.00 0.00 60.65 55.53 2d8k s ILE 32 Cb -0.14 -4.51 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 2d8k s ILE 32 CO 0.02 -1.09 0.51 0.23 -1.23 0.00 0.00 174.94 173.38 2d8k n MET 33 N 3.42 0.00 -3.80 2.79 2.81 -1.08 -1.22 117.12 120.04 2d8k n MET 33 Ca 0.18 0.51 0.02 0.00 -1.81 0.00 0.00 57.70 56.60 2d8k n MET 33 Cb 0.44 -0.88 0.01 0.00 -0.71 0.00 0.00 33.22 32.08 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 -1.62 0.24 -4.38 0.03 0.00 -1.24 -1.93 118.16 109.25 2d8k n LYS 34 Ca 0.00 -0.82 -0.25 0.00 -0.00 0.00 0.00 58.31 57.24 2d8k n LYS 34 Cb 0.00 1.29 -0.10 0.00 -0.00 0.00 0.00 35.03 36.22 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 -1.93 2.81 -0.06 0.58 0.00 -1.06 -2.73 121.76 119.37 2d8k s ALA 35 Ca 0.27 -1.67 -0.16 0.00 0.00 0.00 0.00 51.96 50.39 2d8k s ALA 35 Cb -0.01 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.66 2d8k s ALA 35 CO 0.00 0.37 0.37 -0.65 0.00 0.00 0.00 175.76 175.85 2d8k s GLN 36 N -3.14 0.64 -0.93 0.00 -1.52 -1.13 -4.22 119.66 109.36 2d8k s GLN 36 Ca 0.26 0.07 -0.05 0.00 -1.95 0.00 0.00 55.36 53.69 2d8k s GLN 36 Cb -0.07 0.29 0.01 0.00 -0.22 0.00 0.00 33.01 33.02 2d8k s GLN 36 CO 0.14 -0.16 0.81 0.39 -0.25 0.00 0.00 175.29 176.23 2d8k n GLU 37 N 1.72 -5.45 -3.33 2.91 1.02 -1.26 -1.94 120.64 114.31 2d8k n GLU 37 Ca -0.19 0.58 -0.38 0.00 -0.02 0.00 0.00 57.16 57.15 2d8k n GLU 37 Cb 0.56 -4.87 -0.06 0.00 -0.02 0.00 0.00 31.44 27.05 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 -5.36 4.36 0.79 -4.62 1.43 -1.26 -2.00 118.68 112.00 2d8k s LEU 38 Ca 0.35 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.28 2d8k s LEU 38 Cb -0.15 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 43.40 2d8k s LEU 38 CO 0.51 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 176.12 2d8k s PRO 39 N 0.05 2.15 -0.58 1.29 0.04 -1.24 -4.86 135.00 131.84 2d8k s PRO 39 Ca 0.27 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.46 2d8k s PRO 39 Cb -0.16 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.64 2d8k s PRO 39 CO 0.13 -1.71 0.35 0.00 0.04 0.00 0.00 177.00 175.81 2d8k s ALA 40 N -2.91 3.47 0.01 8.56 0.00 -1.26 -4.81 121.76 124.83 2d8k s ALA 40 Ca 0.61 -3.36 -0.03 0.00 0.00 0.00 0.00 51.96 49.18 2d8k s ALA 40 Cb -0.17 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 2d8k s ALA 40 CO 0.56 -2.06 1.06 0.87 0.00 0.00 0.00 175.76 176.19 2d8k h LYS 41 N 6.49 -0.05 -6.13 0.00 1.79 -1.92 -3.40 116.57 113.34 2d8k h LYS 41 Ca -0.03 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.70 2d8k h LYS 41 Cb 0.89 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.56 2d8k h LYS 41 CO 0.70 -0.04 0.92 -0.25 -1.08 0.00 0.00 179.45 179.71 2d8k n ASP 42 N -2.89 2.32 -0.37 0.86 8.00 -1.26 -4.78 116.55 118.44 2d8k n ASP 42 Ca -0.01 1.05 0.32 0.00 0.71 0.00 0.00 54.79 56.87 2d8k n ASP 42 Cb 0.04 -1.13 0.65 0.00 -0.02 0.00 0.00 41.12 40.66 2d8k n ASP 42 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2d8k h PHE 43 N 7.37 0.32 -0.85 1.24 -1.00 -1.91 -1.21 116.94 120.90 2d8k h PHE 43 Ca -0.45 0.01 0.22 0.00 2.81 0.00 0.00 57.97 60.56 2d8k h PHE 43 Cb 1.32 -0.09 -0.16 0.00 3.61 0.00 0.00 35.95 40.63 2d8k h PHE 43 CO 0.78 -0.01 -0.02 0.45 -1.61 0.00 0.00 178.31 177.90 2d8k n SER 44 N -4.41 -0.13 0.00 2.17 2.88 -1.26 -4.78 113.62 108.09 2d8k n SER 44 Ca 0.28 1.45 0.00 0.00 -1.33 0.00 0.00 58.87 59.27 2d8k n SER 44 Cb 1.19 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 2d8k n SER 44 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8k n GLY 45 N -1.44 1.20 3.51 0.46 0.00 -0.46 -5.12 105.19 103.34 2d8k n GLY 45 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.33 2.68 0.20 2.61 -1.32 -1.26 -4.73 115.64 113.48 2d8k s THR 46 Ca 0.00 -2.31 -0.04 0.00 -1.21 0.00 0.00 61.69 58.13 2d8k s THR 46 Cb 0.00 -2.41 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 2d8k s THR 46 CO 0.00 -0.39 0.21 -0.44 -2.21 0.00 0.00 174.62 171.79 2d8k s SER 47 N -3.54 0.11 -0.90 8.08 0.01 -1.26 -4.45 113.70 111.73 2d8k s SER 47 Ca 0.30 -1.21 -0.05 0.00 1.31 0.00 0.00 55.95 56.31 2d8k s SER 47 Cb -0.05 0.42 0.23 0.00 0.21 0.00 0.00 66.02 66.82 2d8k s SER 47 CO 0.16 -0.90 0.81 1.51 0.41 0.00 0.00 173.24 175.24 2d8k s ASP 48 N -3.09 6.29 0.63 2.44 -4.77 -1.26 -3.51 116.67 113.40 2d8k s ASP 48 Ca 0.31 -3.47 -0.16 0.00 -3.30 0.00 0.00 52.55 45.93 2d8k s ASP 48 Cb 0.05 -2.00 -0.01 0.00 -1.09 0.00 0.00 42.92 39.86 2d8k s ASP 48 CO 0.09 -0.27 1.11 -2.16 0.70 0.00 0.00 175.17 174.64 2d8k s PRO 49 N -1.00 2.93 -0.24 2.11 0.04 -1.19 -2.84 135.00 134.82 2d8k s PRO 49 Ca 0.26 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.48 2d8k s PRO 49 Cb -0.10 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.57 2d8k s PRO 49 CO -0.10 -1.15 0.87 -0.59 0.04 0.00 0.00 177.00 176.07 2d8k s PHE 50 N -2.20 -0.61 0.03 0.56 -0.71 -0.44 -3.24 117.98 111.37 2d8k s PHE 50 Ca 0.68 1.40 -0.12 0.00 -1.04 0.00 0.00 56.93 57.86 2d8k s PHE 50 Cb -0.21 0.34 -0.06 0.00 -1.21 0.00 0.00 43.02 41.88 2d8k s PHE 50 CO 0.38 -0.34 0.38 0.08 -1.34 0.00 0.00 175.22 174.38 2d8k s VAL 51 N 0.00 5.10 -0.20 -2.49 1.01 -1.26 -2.37 120.40 120.18 2d8k s VAL 51 Ca -0.00 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2d8k s VAL 51 Cb -0.04 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.70 2d8k s VAL 51 CO -0.01 0.44 -0.15 -0.54 0.00 0.00 0.00 175.10 174.84 2d8k s LYS 52 N -1.48 2.94 -0.10 2.72 1.02 -0.71 -1.68 119.74 122.45 2d8k s LYS 52 Ca 0.28 -0.88 -0.17 0.00 0.02 0.00 0.00 55.97 55.21 2d8k s LYS 52 Cb -0.15 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 2d8k s LYS 52 CO 0.15 -0.28 0.46 0.42 -0.92 0.00 0.00 175.35 175.18 2d8k s ILE 53 N 1.30 5.16 -0.07 2.17 1.01 0.21 -2.61 121.20 128.36 2d8k s ILE 53 Ca 0.03 0.92 -0.03 0.00 0.00 0.00 0.00 60.65 61.57 2d8k s ILE 53 Cb -0.15 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.58 2d8k s ILE 53 CO -0.09 0.37 0.14 -0.31 0.00 0.00 0.00 174.94 175.05 2d8k s TYR 54 N 0.32 -0.14 -1.17 3.97 1.51 -0.73 -1.44 117.35 119.68 2d8k s TYR 54 Ca 0.25 0.52 -0.14 0.00 -1.01 0.00 0.00 57.07 56.69 2d8k s TYR 54 Cb -0.15 -0.26 0.17 0.00 -0.11 0.00 0.00 41.96 41.61 2d8k s TYR 54 CO 0.11 -0.23 1.38 -0.51 -1.11 0.00 0.00 175.55 175.19 2d8k s LEU 55 N 2.01 5.12 0.62 -1.29 1.43 -1.26 -2.37 118.68 122.95 2d8k s LEU 55 Ca 0.01 -2.93 -0.18 0.00 -1.03 0.00 0.00 54.13 49.99 2d8k s LEU 55 Cb -0.12 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 2d8k s LEU 55 CO -0.05 -0.75 1.20 -0.76 0.23 0.00 0.00 176.35 176.21 2d8k s LEU 56 N 1.53 3.58 -0.00 1.79 1.43 -1.09 -2.82 118.68 123.10 2d8k s LEU 56 Ca 0.41 2.34 -0.24 0.00 -1.03 0.00 0.00 54.13 55.61 2d8k s LEU 56 Cb -0.03 -4.59 -0.18 0.00 0.03 0.00 0.00 46.19 41.41 2d8k s LEU 56 CO -0.01 -1.70 1.29 1.55 0.23 0.00 0.00 176.35 177.71 2d8k h PRO 57 N 0.61 0.11 -3.76 1.29 0.13 -1.89 -1.97 132.00 126.52 2d8k h PRO 57 Ca -0.50 -0.06 -0.52 0.00 -0.87 0.00 0.00 66.00 64.05 2d8k h PRO 57 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.44 2d8k h PRO 57 CO 0.54 0.56 0.21 -0.40 -0.23 0.00 0.00 178.00 178.69 2d8k n ASP 58 N -4.76 0.33 -0.06 1.44 5.68 -1.13 -4.83 116.55 113.22 2d8k n ASP 58 Ca -0.08 0.74 0.01 0.00 -0.50 0.00 0.00 54.79 54.95 2d8k n ASP 58 Cb 0.28 -0.57 0.01 0.00 -1.14 0.00 0.00 41.12 39.71 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2d8k n LYS 59 N 1.64 2.19 -0.04 0.11 5.02 -1.26 -3.99 118.16 121.82 2d8k n LYS 59 Ca 0.16 -1.35 -0.13 0.00 -2.02 0.00 0.00 58.31 54.96 2d8k n LYS 59 Cb 0.01 -1.03 -0.11 0.00 -0.02 0.00 0.00 35.03 33.88 2d8k n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2d8k h LYS 60 N 0.22 -0.01 -4.48 1.97 1.79 -1.92 -3.38 116.57 110.75 2d8k h LYS 60 Ca 0.00 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 57.72 2d8k h LYS 60 Cb 0.43 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.88 2d8k h LYS 60 CO 0.00 0.76 1.14 -1.58 -1.08 0.00 0.00 179.45 178.69 2d8k s HIS 61 N -2.91 3.68 0.17 -1.35 2.46 -1.26 -4.99 115.29 111.09 2d8k s HIS 61 Ca -0.17 -2.26 0.09 0.00 0.47 0.00 0.00 55.06 53.19 2d8k s HIS 61 Cb -0.01 -4.20 -0.04 0.00 -0.13 0.00 0.00 32.58 28.19 2d8k s HIS 61 CO 0.65 -1.29 -0.12 -1.59 -2.47 0.00 0.00 174.74 169.92 2d8k s LYS 62 N 0.93 1.98 0.26 2.88 0.00 -1.26 -4.37 119.74 120.16 2d8k s LYS 62 Ca 0.40 -1.28 0.02 0.00 0.00 0.00 0.00 55.97 55.11 2d8k s LYS 62 Cb -0.05 -2.13 -0.05 0.00 0.00 0.00 0.00 37.83 35.61 2d8k s LYS 62 CO -0.02 0.44 0.07 -0.51 0.00 0.00 0.00 175.35 175.32 2d8k s LEU 63 N -2.74 1.85 0.10 2.77 1.02 -0.52 -5.02 118.68 116.14 2d8k s LEU 63 Ca 0.24 -1.34 -0.12 0.00 0.02 0.00 0.00 54.13 52.93 2d8k s LEU 63 Cb -0.09 -0.10 0.01 0.00 0.02 0.00 0.00 46.19 46.03 2d8k s LEU 63 CO 0.14 -0.66 0.28 -0.70 0.02 0.00 0.00 176.35 175.43 2d8k s GLU 64 N -3.97 0.93 0.21 1.70 2.12 -1.26 0.64 118.70 119.07 2d8k s GLU 64 Ca 0.35 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 2d8k s GLU 64 Cb 0.08 0.39 -0.04 0.00 0.26 0.00 0.00 34.13 34.82 2d8k s GLU 64 CO 0.13 -0.33 0.42 0.95 -0.54 0.00 0.00 175.26 175.88 2d8k s THR 65 N -3.80 5.18 1.00 -1.70 -4.23 -0.68 -4.95 115.64 106.46 2d8k s THR 65 Ca 0.04 -0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 60.06 2d8k s THR 65 Cb 0.03 -3.73 -0.15 0.00 1.34 0.00 0.00 72.50 69.99 2d8k s THR 65 CO -0.11 -0.19 -0.93 0.29 -0.54 0.00 0.00 174.62 173.13 2d8k n LYS 66 N -0.69 -0.04 -3.44 3.99 4.76 -1.26 -4.55 118.16 116.93 2d8k n LYS 66 Ca -0.04 -0.01 -0.44 0.00 -2.87 0.00 0.00 58.31 54.95 2d8k n LYS 66 Cb 0.54 -1.05 -0.05 0.00 -1.84 0.00 0.00 35.03 32.63 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 -2.02 4.96 0.10 -0.18 1.01 -1.26 -4.67 120.40 118.34 2d8k s VAL 67 Ca 0.40 -2.31 -0.31 0.00 0.00 0.00 0.00 61.98 59.76 2d8k s VAL 67 Cb -0.11 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 2d8k s VAL 67 CO 0.78 -0.93 1.32 -0.54 0.00 0.00 0.00 175.10 175.73 2d8k s LYS 68 N 0.53 4.36 0.15 2.72 -0.14 -1.20 -4.98 119.74 121.19 2d8k s LYS 68 Ca 0.13 1.97 0.09 0.00 -1.36 0.00 0.00 55.97 56.80 2d8k s LYS 68 Cb -0.18 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 2d8k s LYS 68 CO -0.05 -0.37 -0.11 1.03 -0.76 0.00 0.00 175.35 175.09 2d8k s ARG 69 N 1.09 2.02 -1.19 1.68 1.81 -1.26 -3.14 118.95 119.95 2d8k s ARG 69 Ca 0.62 -1.21 -0.06 0.00 -1.72 0.00 0.00 55.73 53.37 2d8k s ARG 69 Cb -0.34 -2.18 0.01 0.00 -0.45 0.00 0.00 34.95 31.99 2d8k s ARG 69 CO 0.30 0.46 0.78 1.63 -0.68 0.00 0.00 175.30 177.79 2d8k n LYS 70 N 0.31 -5.55 -3.43 3.54 4.76 -1.25 -4.99 118.16 111.55 2d8k n LYS 70 Ca -0.12 0.71 0.01 0.00 -2.87 0.00 0.00 58.31 56.04 2d8k n LYS 70 Cb 0.54 -5.29 -0.04 0.00 -1.84 0.00 0.00 35.03 28.39 2d8k n LYS 70 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2d8k s ASN 71 N -3.05 -0.50 0.00 4.39 2.20 -1.23 -4.99 114.94 111.76 2d8k s ASN 71 Ca 0.39 0.71 0.11 0.00 -0.94 0.00 0.00 52.86 53.13 2d8k s ASN 71 Cb -0.17 1.51 -0.22 0.00 -2.00 0.00 0.00 41.25 40.37 2d8k s ASN 71 CO 0.48 -0.10 0.84 -0.07 -2.94 0.00 0.00 177.10 175.31 2d8k h LEU 72 N 7.16 0.00 -4.75 3.54 3.38 -1.90 -3.38 115.31 119.36 2d8k h LEU 72 Ca -0.18 -0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.18 2d8k h LEU 72 Cb 1.13 -0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.48 2d8k h LEU 72 CO 0.10 1.00 -0.51 0.59 0.09 0.00 0.00 178.44 179.71 2d8k n ASN 73 N -3.13 4.98 -4.72 -0.43 3.02 -1.26 -4.38 115.26 109.33 2d8k n ASN 73 Ca -0.12 -3.72 -0.30 0.00 -0.03 0.00 0.00 54.58 50.41 2d8k n ASN 73 Cb 1.02 -0.55 0.13 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 -3.59 1.34 -0.26 3.52 0.04 -1.26 -4.62 135.00 130.16 2d8k s PRO 74 Ca 0.48 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 2d8k s PRO 74 Cb 0.38 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 33.11 2d8k s PRO 74 CO -0.20 -2.19 -0.00 -3.38 0.04 0.00 0.00 177.00 171.27 2d8k s HIS 75 N -2.93 3.09 -0.12 0.56 -3.43 -1.26 -2.56 115.29 108.63 2d8k s HIS 75 Ca 0.63 -1.27 -0.06 0.00 -0.80 0.00 0.00 55.06 53.57 2d8k s HIS 75 Cb -0.18 -2.14 -0.03 0.00 -1.43 0.00 0.00 32.58 28.80 2d8k s HIS 75 CO 0.57 -0.65 -0.05 -1.49 -2.00 0.00 0.00 174.74 171.12 2d8k h TRP 76 N 8.11 0.00 -3.71 0.38 6.55 -1.64 -3.48 115.95 122.15 2d8k h TRP 76 Ca -0.33 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.18 2d8k h TRP 76 Cb 1.12 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.41 2d8k h TRP 76 CO 0.59 0.08 -0.44 -1.71 -1.05 0.00 0.00 178.44 175.91 2d8k n ASN 77 N -4.69 -4.82 -4.81 -3.49 2.85 -0.36 -4.94 115.26 95.00 2d8k n ASN 77 Ca -0.04 0.03 -0.38 0.00 -0.11 0.00 0.00 54.58 54.08 2d8k n ASN 77 Cb 0.15 -4.03 -0.06 0.00 1.24 0.00 0.00 39.78 37.08 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2d8k s GLU 78 N -5.17 4.28 -0.29 1.20 2.02 -1.26 -4.87 118.70 114.61 2d8k s GLU 78 Ca 0.06 0.85 -0.06 0.00 0.02 0.00 0.00 54.97 55.83 2d8k s GLU 78 Cb -0.03 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 31.11 2d8k s GLU 78 CO 0.07 0.54 0.06 0.99 0.02 0.00 0.00 175.26 176.94 2d8k s THR 79 N -1.28 3.84 -0.00 3.63 2.01 -1.26 -2.77 115.64 119.81 2d8k s THR 79 Ca 0.36 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 2d8k s THR 79 Cb -0.19 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2d8k s THR 79 CO 0.21 0.09 0.22 -0.36 -0.69 0.00 0.00 174.62 174.09 2d8k s PHE 80 N 1.48 3.56 -0.06 4.92 0.40 -0.83 -4.96 117.98 122.50 2d8k s PHE 80 Ca 0.02 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.80 2d8k s PHE 80 Cb -0.17 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.49 2d8k s PHE 80 CO 0.02 0.63 -0.04 -0.51 0.70 0.00 0.00 175.22 176.02 2d8k s LEU 81 N -1.87 1.16 -0.45 -0.37 1.43 -1.26 -2.32 118.68 115.00 2d8k s LEU 81 Ca 0.27 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 2d8k s LEU 81 Cb -0.13 -0.49 0.11 0.00 0.03 0.00 0.00 46.19 45.71 2d8k s LEU 81 CO 0.17 -0.09 0.30 -0.36 0.23 0.00 0.00 176.35 176.61 2d8k s PHE 82 N 1.21 3.45 -0.04 0.29 0.08 -1.10 -4.96 117.98 116.91 2d8k s PHE 82 Ca -0.06 -1.95 -0.11 0.00 0.12 0.00 0.00 56.93 54.93 2d8k s PHE 82 Cb -0.14 -3.37 -0.05 0.00 -0.57 0.00 0.00 43.02 38.89 2d8k s PHE 82 CO -0.02 -0.97 0.30 -1.21 -0.10 0.00 0.00 175.22 173.22 2d8k s GLU 83 N 1.32 3.71 0.00 0.44 2.02 -1.26 -3.56 118.70 121.38 2d8k s GLU 83 Ca 0.06 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.21 2d8k s GLU 83 Cb -0.25 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.79 2d8k s GLU 83 CO -0.01 0.71 0.00 0.41 0.02 0.00 0.00 175.26 176.39 2d8k n GLY 84 N 1.77 0.71 3.07 -1.39 0.00 -1.26 -5.07 105.19 103.01 2d8k n GLY 84 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 2.95 0.37 1.61 0.40 -1.26 -5.11 117.98 114.93 2d8k s PHE 85 Ca 0.00 -1.98 -0.27 0.00 -0.60 0.00 0.00 56.93 54.08 2d8k s PHE 85 Cb 0.00 -1.86 -0.09 0.00 0.51 0.00 0.00 43.02 41.58 2d8k s PHE 85 CO 0.00 -0.83 1.20 -1.25 0.70 0.00 0.00 175.22 175.04 2d8k s PRO 86 N 1.22 4.19 0.20 0.24 0.04 -1.26 -4.66 135.00 134.97 2d8k s PRO 86 Ca -0.03 1.95 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 2d8k s PRO 86 Cb -0.17 -2.84 0.22 0.00 0.04 0.00 0.00 34.50 31.75 2d8k s PRO 86 CO -0.08 -0.23 1.64 -0.92 0.04 0.00 0.00 177.00 177.45 2d8k h TYR 87 N 2.97 -0.26 -0.56 0.56 5.03 -1.93 0.59 116.97 123.37 2d8k h TYR 87 Ca -0.49 0.05 0.16 0.00 2.58 0.00 0.00 58.73 61.04 2d8k h TYR 87 Cb 1.23 0.21 -0.02 0.00 1.55 0.00 0.00 36.73 39.70 2d8k h TYR 87 CO 0.56 -0.24 0.70 1.05 -1.32 0.00 0.00 178.16 178.91 2d8k h GLU 88 N 0.02 0.00 0.00 1.82 4.11 -2.01 -1.12 114.58 117.40 2d8k h GLU 88 Ca 0.29 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.59 2d8k h GLU 88 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2d8k h GLU 88 CO -0.59 0.00 -1.32 1.63 0.07 0.00 0.00 179.01 178.80 2d8k n LYS 89 N -3.45 0.53 -0.52 1.06 5.02 0.18 -4.27 118.16 116.71 2d8k n LYS 89 Ca 0.11 0.30 0.42 0.00 -2.02 0.00 0.00 58.31 57.13 2d8k n LYS 89 Cb 0.90 -1.51 0.71 0.00 -0.02 0.00 0.00 35.03 35.11 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 0.08 -0.51 -0.18 3.04 -0.09 1.09 116.25 118.67 2d8k h VAL 90 Ca -0.20 -0.01 -0.06 0.00 -1.01 0.00 0.00 66.70 65.42 2d8k h VAL 90 Cb 1.09 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 2d8k h VAL 90 CO -0.12 0.01 0.10 -0.37 -1.01 0.00 0.00 177.57 176.18 2d8k h VAL 91 N 0.04 1.25 0.00 1.51 -1.51 -1.43 -2.11 116.25 114.00 2d8k h VAL 91 Ca 0.85 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2d8k h VAL 91 Cb 2.94 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.95 2d8k h VAL 91 CO -0.30 0.32 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 2d8k n GLN 92 N -4.42 0.15 -2.39 5.19 6.02 0.37 -3.24 117.38 119.06 2d8k n GLN 92 Ca 0.02 0.61 -0.26 0.00 -0.01 0.00 0.00 57.00 57.35 2d8k n GLN 92 Cb 0.24 -1.95 0.14 0.00 1.02 0.00 0.00 30.24 29.69 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 -3.52 1.23 -0.02 -1.09 1.81 -0.79 -4.86 118.95 111.71 2d8k s ARG 93 Ca -0.01 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 2d8k s ARG 93 Cb 0.07 -2.17 0.03 0.00 -0.45 0.00 0.00 34.95 32.43 2d8k s ARG 93 CO 0.23 -1.84 0.01 0.42 -0.68 0.00 0.00 175.30 173.45 2d8k s ILE 94 N -3.41 0.06 -0.22 1.52 1.01 -0.74 -3.22 121.20 116.19 2d8k s ILE 94 Ca 0.70 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 61.21 2d8k s ILE 94 Cb -0.04 -0.18 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 2d8k s ILE 94 CO 0.48 0.12 1.30 -0.22 0.00 0.00 0.00 174.94 176.62 2d8k s LEU 95 N 1.03 4.04 -0.12 2.97 2.96 0.11 -2.68 118.68 126.99 2d8k s LEU 95 Ca -0.10 1.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.34 2d8k s LEU 95 Cb -0.13 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.02 2d8k s LEU 95 CO -0.02 -0.93 -0.22 -0.47 -1.32 0.00 0.00 176.35 173.39 2d8k s TYR 96 N 3.97 2.55 0.07 5.38 6.14 -1.00 -0.50 117.35 133.96 2d8k s TYR 96 Ca 0.56 -1.15 0.07 0.00 0.64 0.00 0.00 57.07 57.19 2d8k s TYR 96 Cb -0.20 -1.72 -0.03 0.00 0.42 0.00 0.00 41.96 40.43 2d8k s TYR 96 CO 0.19 -0.50 -0.20 -0.51 0.64 0.00 0.00 175.55 175.17 2d8k s LEU 97 N 0.57 2.23 -0.13 6.97 1.43 -0.08 -1.77 118.68 127.91 2d8k s LEU 97 Ca -0.13 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.33 2d8k s LEU 97 Cb -0.17 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.22 2d8k s LEU 97 CO 0.04 0.09 0.13 -1.58 0.23 0.00 0.00 176.35 175.27 2d8k s GLN 98 N -1.53 0.06 -0.43 1.70 0.74 -1.07 0.25 119.66 119.37 2d8k s GLN 98 Ca 0.06 0.24 -0.16 0.00 0.05 0.00 0.00 55.36 55.55 2d8k s GLN 98 Cb -0.09 -1.03 0.03 0.00 1.10 0.00 0.00 33.01 33.02 2d8k s GLN 98 CO 0.03 -0.51 0.38 0.08 -0.55 0.00 0.00 175.29 174.72 2d8k s VAL 99 N 2.23 5.18 0.26 1.34 1.01 0.31 -1.73 120.40 129.00 2d8k s VAL 99 Ca 0.04 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2d8k s VAL 99 Cb -0.14 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2d8k s VAL 99 CO -0.08 -0.43 0.25 -1.48 0.00 0.00 0.00 175.10 173.36 2d8k s LEU 100 N 1.87 1.26 -0.01 3.92 2.34 -1.00 -2.24 118.68 124.83 2d8k s LEU 100 Ca 0.08 -1.48 -0.01 0.00 0.06 0.00 0.00 54.13 52.78 2d8k s LEU 100 Cb -0.19 0.68 -0.04 0.00 -0.56 0.00 0.00 46.19 46.08 2d8k s LEU 100 CO 0.11 -0.99 0.09 -1.81 -1.06 0.00 0.00 176.35 172.68 2d8k s ASP 101 N -3.23 5.74 0.18 1.48 1.01 -1.25 -1.33 116.67 119.27 2d8k s ASP 101 Ca 0.37 0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.86 2d8k s ASP 101 Cb 0.04 -1.66 -0.04 0.00 1.01 0.00 0.00 42.92 42.27 2d8k s ASP 101 CO 0.18 0.27 0.08 -0.47 0.21 0.00 0.00 175.17 175.44 2d8k s TYR 102 N -1.20 3.00 0.26 4.23 5.04 -1.13 -4.09 117.35 123.45 2d8k s TYR 102 Ca 0.23 -0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.79 2d8k s TYR 102 Cb -0.12 -1.43 -0.05 0.00 0.35 0.00 0.00 41.96 40.71 2d8k s TYR 102 CO 0.14 0.53 0.10 -0.51 -1.34 0.00 0.00 175.55 174.46 2d8k s ASP 103 N -3.15 1.20 -0.25 4.32 1.01 -1.26 -4.70 116.67 113.83 2d8k s ASP 103 Ca 0.30 -1.39 -0.07 0.00 0.71 0.00 0.00 52.55 52.10 2d8k s ASP 103 Cb -0.09 0.16 -0.02 0.00 1.01 0.00 0.00 42.92 43.98 2d8k s ASP 103 CO 0.21 -0.73 0.06 -0.60 0.21 0.00 0.00 175.17 174.32 2d8k s ARG 104 N -4.03 3.51 -1.98 8.23 3.00 -1.26 -4.46 118.95 121.97 2d8k s ARG 104 Ca 0.38 -0.57 0.00 0.00 -1.00 0.00 0.00 55.73 54.54 2d8k s ARG 104 Cb 0.08 -3.30 0.00 0.00 0.00 0.00 0.00 34.95 31.73 2d8k s ARG 104 CO 0.14 -0.24 0.00 1.19 0.00 0.00 0.00 175.30 176.39 2d8k n PHE 105 N 4.90 -0.58 -3.82 5.12 3.01 -1.26 -4.96 117.46 119.87 2d8k n PHE 105 Ca -0.16 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.17 2d8k n PHE 105 Cb 0.51 -3.78 -0.14 0.00 -0.01 0.00 0.00 39.48 36.05 2d8k n PHE 105 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2d8k s SER 106 N -2.36 -0.01 0.08 4.37 0.15 -1.26 -5.12 113.70 109.55 2d8k s SER 106 Ca 0.00 0.08 -0.35 0.00 0.70 0.00 0.00 55.95 56.38 2d8k s SER 106 Cb 0.00 0.04 -0.14 0.00 -1.71 0.00 0.00 66.02 64.21 2d8k s SER 106 CO 0.00 -0.06 1.59 -1.14 1.20 0.00 0.00 173.24 174.84 2d8k n ARG 107 N 3.48 1.93 -2.12 5.44 0.63 -1.26 -4.49 116.66 120.26 2d8k n ARG 107 Ca -0.18 0.70 -0.28 0.00 -0.92 0.00 0.00 57.85 57.17 2d8k n ARG 107 Cb 0.56 -2.45 0.05 0.00 0.45 0.00 0.00 32.46 31.07 2d8k n ARG 107 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2d8k s ASN 108 N 1.49 5.22 -0.04 6.15 2.20 -1.26 -4.91 114.94 123.79 2d8k s ASN 108 Ca 0.83 0.80 -0.01 0.00 -0.94 0.00 0.00 52.86 53.53 2d8k s ASN 108 Cb -0.75 -1.58 0.03 0.00 -2.00 0.00 0.00 41.25 36.95 2d8k s ASN 108 CO 0.43 -1.39 0.06 1.51 -2.94 0.00 0.00 177.10 174.77 2d8k s ASP 109 N -4.41 0.60 0.26 3.54 1.47 -1.26 -5.10 116.67 111.78 2d8k s ASP 109 Ca 0.58 0.10 -0.29 0.00 1.18 0.00 0.00 52.55 54.11 2d8k s ASP 109 Cb -0.11 -0.06 -0.09 0.00 -0.34 0.00 0.00 42.92 42.32 2d8k s ASP 109 CO 0.48 -0.19 1.26 -2.16 0.68 0.00 0.00 175.17 175.23 2d8k s PRO 110 N 1.68 4.43 -0.24 2.11 0.04 -1.26 -3.96 135.00 137.80 2d8k s PRO 110 Ca -0.02 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 2d8k s PRO 110 Cb -0.12 -3.15 -0.17 0.00 0.04 0.00 0.00 34.50 31.09 2d8k s PRO 110 CO -0.03 -0.13 -0.13 -0.89 0.04 0.00 0.00 177.00 175.86 2d8k n ILE 111 N 1.71 1.55 -3.69 0.56 5.41 -1.21 -4.77 119.36 118.92 2d8k n ILE 111 Ca 0.02 -0.46 -0.04 0.00 1.00 0.00 0.00 62.75 63.27 2d8k n ILE 111 Cb 0.43 -1.69 -0.01 0.00 -0.71 0.00 0.00 39.64 37.65 2d8k n ILE 111 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2d8k s GLY 112 N -5.85 -0.30 -0.04 7.39 0.00 -0.95 -3.62 107.32 103.95 2d8k s GLY 112 Ca -0.34 0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.46 2d8k s GLY 112 CO 0.59 0.09 0.73 -1.83 0.00 0.00 0.00 173.10 172.68 2d8k s GLU 113 N -3.16 1.00 0.16 2.90 4.04 -1.09 -0.53 118.70 122.02 2d8k s GLU 113 Ca 0.11 0.15 0.06 0.00 0.04 0.00 0.00 54.97 55.33 2d8k s GLU 113 Cb -0.01 0.47 -0.04 0.00 0.02 0.00 0.00 34.13 34.57 2d8k s GLU 113 CO -0.01 -0.33 -0.13 0.08 -1.84 0.00 0.00 175.26 173.03 2d8k s VAL 114 N -1.50 1.43 -0.02 1.83 1.01 0.14 -3.02 120.40 120.26 2d8k s VAL 114 Ca -0.08 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 59.93 2d8k s VAL 114 Cb -0.00 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2d8k s VAL 114 CO 0.06 -0.57 -0.00 -0.44 0.00 0.00 0.00 175.10 174.15 2d8k s SER 115 N -2.94 0.36 -0.13 3.32 0.01 -1.26 -0.91 113.70 112.16 2d8k s SER 115 Ca 0.16 -0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.34 2d8k s SER 115 Cb -0.01 -0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.10 2d8k s SER 115 CO 0.04 -0.08 0.28 -0.63 0.41 0.00 0.00 173.24 173.26 2d8k s ILE 116 N 0.84 -0.31 0.01 1.44 1.01 0.35 -5.01 121.20 119.53 2d8k s ILE 116 Ca -0.08 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 2d8k s ILE 116 Cb -0.12 -0.45 -0.06 0.00 0.01 0.00 0.00 42.46 41.84 2d8k s ILE 116 CO -0.02 0.09 1.44 -2.16 0.00 0.00 0.00 174.94 174.30 2d8k s PRO 117 N 2.07 4.27 0.19 2.79 0.04 -1.26 0.03 135.00 143.13 2d8k s PRO 117 Ca -0.02 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.20 2d8k s PRO 117 Cb -0.11 -3.59 0.79 0.00 0.04 0.00 0.00 34.50 31.63 2d8k s PRO 117 CO -0.09 -0.61 1.49 1.28 0.04 0.00 0.00 177.00 179.12 2d8k n LEU 118 N 5.45 0.39 0.15 -3.56 4.77 -1.20 -1.28 117.00 121.72 2d8k n LEU 118 Ca 0.14 0.65 0.03 0.00 -0.03 0.00 0.00 56.01 56.79 2d8k n LEU 118 Cb 0.43 -0.65 0.10 0.00 -2.33 0.00 0.00 43.42 40.97 2d8k n LEU 118 CO 0.59 -0.67 0.51 -1.13 -1.33 0.00 0.00 177.39 175.36 2d8k h ASN 119 N 0.00 0.00 0.09 -1.43 -1.24 -1.76 -3.32 115.58 107.93 2d8k h ASN 119 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.78 2d8k h ASN 119 Cb 0.12 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 2d8k h ASN 119 CO 0.00 0.49 -1.16 0.11 -1.29 0.00 0.00 177.43 175.59 2d8k h LYS 120 N 0.00 0.20 -6.54 6.67 1.79 -1.53 -3.46 116.57 113.70 2d8k h LYS 120 Ca -0.00 -0.34 -0.53 0.00 -2.18 0.00 0.00 60.65 57.60 2d8k h LYS 120 Cb 1.28 0.12 0.03 0.00 -1.58 0.00 0.00 32.23 32.08 2d8k h LYS 120 CO 0.06 1.16 0.85 0.54 -1.08 0.00 0.00 179.45 180.98 2d8k s VAL 121 N -2.43 3.00 -1.13 0.50 0.11 -1.14 -4.87 120.40 114.45 2d8k s VAL 121 Ca -0.20 0.66 -0.24 0.00 -2.93 0.00 0.00 61.98 59.27 2d8k s VAL 121 Cb 0.03 -3.42 -0.15 0.00 -1.53 0.00 0.00 36.38 31.30 2d8k s VAL 121 CO 0.75 0.04 2.00 0.47 -3.33 0.00 0.00 175.10 175.03 2d8k n ASP 122 N 4.39 2.34 0.11 3.54 9.92 -1.26 -4.69 116.55 130.90 2d8k n ASP 122 Ca 0.13 -2.61 0.07 0.00 -0.53 0.00 0.00 54.79 51.85 2d8k n ASP 122 Cb 0.40 -1.71 0.36 0.00 -0.64 0.00 0.00 41.12 39.53 2d8k n ASP 122 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2d8k n LEU 123 N 16.51 0.35 0.27 0.64 4.77 -1.26 -1.93 117.00 136.34 2d8k n LEU 123 Ca 0.43 0.63 0.17 0.00 -0.03 0.00 0.00 56.01 57.22 2d8k n LEU 123 Cb 0.47 -0.67 0.82 0.00 -2.33 0.00 0.00 43.42 41.71 2d8k n LEU 123 CO 0.66 -0.75 1.14 0.71 -1.33 0.00 0.00 177.39 177.82 2d8k h THR 124 N 0.00 0.12 -3.18 -5.08 1.35 -1.83 -2.24 112.91 102.04 2d8k h THR 124 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 2d8k h THR 124 Cb 0.11 0.69 -0.11 0.00 -1.73 0.00 0.00 68.15 67.10 2d8k h THR 124 CO 0.00 0.00 0.09 0.00 -0.25 0.00 0.00 175.52 175.36 2d8k s GLN 125 N -4.26 1.27 0.11 4.72 -2.07 -0.81 -4.93 119.66 113.68 2d8k s GLN 125 Ca -0.04 -0.65 -0.31 0.00 -1.82 0.00 0.00 55.36 52.54 2d8k s GLN 125 Cb 0.11 0.54 -0.08 0.00 -1.09 0.00 0.00 33.01 32.49 2d8k s GLN 125 CO 0.36 -0.54 1.45 1.41 -1.32 0.00 0.00 175.29 176.65 2d8k s MET 126 N -3.80 4.28 -0.05 9.60 -2.45 -1.26 -4.51 119.30 121.11 2d8k s MET 126 Ca 0.04 2.14 -0.02 0.00 -1.25 0.00 0.00 55.69 56.60 2d8k s MET 126 Cb -0.00 -3.30 0.03 0.00 1.25 0.00 0.00 34.83 32.80 2d8k s MET 126 CO -0.09 -0.52 0.11 -0.65 1.05 0.00 0.00 175.02 174.92 2d8k s GLN 127 N 1.41 0.07 0.50 4.11 -1.52 -0.63 -4.96 119.66 118.64 2d8k s GLN 127 Ca 0.66 0.28 -0.09 0.00 -1.95 0.00 0.00 55.36 54.27 2d8k s GLN 127 Cb -0.38 -0.14 -0.05 0.00 -0.22 0.00 0.00 33.01 32.23 2d8k s GLN 127 CO 0.30 -0.13 0.85 0.99 -0.25 0.00 0.00 175.29 177.05 2d8k s THR 128 N 0.89 4.81 -0.04 -0.19 2.01 -1.26 -1.47 115.64 120.39 2d8k s THR 128 Ca -0.07 0.53 -0.03 0.00 0.31 0.00 0.00 61.69 62.43 2d8k s THR 128 Cb -0.09 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.61 2d8k s THR 128 CO -0.04 -0.83 0.10 -0.36 -0.69 0.00 0.00 174.62 172.80 2d8k s PHE 129 N -2.74 -0.10 -0.33 4.92 0.08 -0.83 -4.97 117.98 114.02 2d8k s PHE 129 Ca 0.51 0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.86 2d8k s PHE 129 Cb -0.10 -0.03 0.08 0.00 -0.57 0.00 0.00 43.02 42.40 2d8k s PHE 129 CO 0.43 -0.08 0.03 -1.58 -0.10 0.00 0.00 175.22 173.92 2d8k s TRP 130 N 0.45 3.54 0.25 0.36 0.52 -1.26 -3.31 118.94 119.50 2d8k s TRP 130 Ca -0.03 -2.58 0.11 0.00 0.02 0.00 0.00 56.10 53.63 2d8k s TRP 130 Cb -0.05 -2.62 -0.05 0.00 -1.15 0.00 0.00 33.47 29.60 2d8k s TRP 130 CO -0.02 -0.92 -0.19 0.15 0.02 0.00 0.00 176.95 176.00 2d8k s LYS 131 N 1.04 1.72 -0.49 4.98 -0.14 -1.14 -5.01 119.74 120.70 2d8k s LYS 131 Ca 0.03 -1.66 -0.16 0.00 -1.36 0.00 0.00 55.97 52.82 2d8k s LYS 131 Cb -0.20 -1.84 0.08 0.00 -1.68 0.00 0.00 37.83 34.19 2d8k s LYS 131 CO -0.06 0.35 0.46 0.16 -0.76 0.00 0.00 175.35 175.51 2d8k s ASP 132 N -3.31 6.17 -0.71 2.83 -4.77 -1.26 -1.01 116.67 114.61 2d8k s ASP 132 Ca 0.28 -1.31 -0.19 0.00 -3.30 0.00 0.00 52.55 48.03 2d8k s ASP 132 Cb -0.06 -2.21 -0.17 0.00 -1.09 0.00 0.00 42.92 39.39 2d8k s ASP 132 CO 0.14 -0.73 1.83 0.18 0.70 0.00 0.00 175.17 177.29 2d8k n LEU 133 N 5.42 -0.05 -4.55 2.11 4.77 -0.77 -4.79 117.00 119.14 2d8k n LEU 133 Ca -0.11 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.54 2d8k n LEU 133 Cb 0.43 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 41.02 2d8k n LEU 133 CO 0.50 -0.61 0.32 0.29 -1.33 0.00 0.00 177.39 176.55 2d8k n LYS 134 N 5.58 0.26 -2.04 3.23 4.76 -1.17 -4.59 118.16 124.18 2d8k n LYS 134 Ca 0.47 0.14 -0.32 0.00 -2.87 0.00 0.00 58.31 55.74 2d8k n LYS 134 Cb 0.04 -2.07 -0.04 0.00 -1.84 0.00 0.00 35.03 31.12 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 -3.30 2.58 0.03 1.97 0.04 -1.26 -2.69 135.00 132.37 2d8k s PRO 135 Ca 0.68 0.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 2d8k s PRO 135 Cb -0.32 -4.77 -0.04 0.00 0.04 0.00 0.00 34.50 29.41 2d8k s PRO 135 CO 0.55 -3.10 1.06 -1.12 0.04 0.00 0.00 177.00 174.43 2d8k s SER 136 N 8.07 7.27 0.00 6.66 0.01 -1.24 -4.98 113.70 129.49 2d8k s SER 136 Ca 0.69 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.75 2d8k s SER 136 Cb -0.09 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2d8k s SER 136 CO 0.08 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2d8k n GLY 137 N 2.97 3.11 0.06 3.44 0.00 -1.26 -4.72 105.19 108.78 2d8k n GLY 137 Ca 0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2d8k n GLY 137 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k h PRO 138 N 0.00 -0.01 -6.98 1.61 0.13 -2.00 -3.45 132.00 121.30 2d8k h PRO 138 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 2d8k h PRO 138 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 2d8k h PRO 138 CO 0.00 0.47 0.68 0.45 -0.23 0.00 0.00 178.00 179.37 2d8k n SER 139 N -4.86 3.21 -4.85 1.44 2.88 -1.26 -4.98 113.62 105.19 2d8k n SER 139 Ca -0.08 1.11 -0.31 0.00 -1.33 0.00 0.00 58.87 58.25 2d8k n SER 139 Cb 0.25 -1.59 0.02 0.00 -0.75 0.00 0.00 64.21 62.14 2d8k n SER 139 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8k s SER 140 N -0.52 5.91 0.00 -3.46 0.15 -1.26 -5.13 113.70 109.39 2d8k s SER 140 Ca 0.62 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.78 2d8k s SER 140 Cb -0.45 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.38 2d8k s SER 140 CO 0.57 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 174.53