#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 6.50 -0.21 1.61 0.01 -1.26 -5.00 113.70 115.35 2d8k s SER 2 Ca 0.00 1.77 -0.16 0.00 1.31 0.00 0.00 55.95 58.86 2d8k s SER 2 Cb 0.00 -2.54 -0.19 0.00 0.21 0.00 0.00 66.02 63.51 2d8k s SER 2 CO 0.00 -0.67 0.09 -1.54 0.41 0.00 0.00 173.24 171.53 2d8k n SER 3 N -1.14 1.93 0.00 2.44 3.41 -1.26 -5.03 113.62 113.97 2d8k n SER 3 Ca 0.08 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2d8k n SER 3 Cb 0.53 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2d8k n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8k n GLY 4 N 1.52 1.01 3.52 5.00 0.00 -1.26 -4.53 105.19 110.45 2d8k n GLY 4 Ca -0.38 -0.53 -0.49 0.00 0.00 0.00 0.00 46.02 44.62 2d8k n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8k n SER 5 N -3.35 0.48 -3.28 1.61 2.88 -1.26 -4.97 113.62 105.73 2d8k n SER 5 Ca 0.00 1.15 -0.05 0.00 -1.33 0.00 0.00 58.87 58.64 2d8k n SER 5 Cb 0.00 -1.12 -0.05 0.00 -0.75 0.00 0.00 64.21 62.29 2d8k n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d8k s SER 6 N -0.34 -0.27 0.00 -3.46 1.04 -1.26 -5.13 113.70 104.28 2d8k s SER 6 Ca 0.71 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2d8k s SER 6 Cb -0.91 1.45 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2d8k s SER 6 CO 0.55 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2d8k n GLY 7 N 5.38 3.92 3.66 7.32 0.00 -1.26 -5.17 105.19 119.05 2d8k n GLY 7 Ca -0.02 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 2d8k n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8k s SER 8 N 0.00 4.72 -0.03 1.61 1.04 -1.26 -5.13 113.70 114.65 2d8k s SER 8 Ca 0.00 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.01 2d8k s SER 8 Cb 0.00 -0.98 0.00 0.00 0.10 0.00 0.00 66.02 65.14 2d8k s SER 8 CO 0.00 0.07 -0.10 -0.60 0.98 0.00 0.00 173.24 173.58 2d8k s ARG 9 N -3.12 1.13 0.06 4.02 3.52 -1.26 -5.08 118.95 118.22 2d8k s ARG 9 Ca 0.28 -0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 55.49 2d8k s ARG 9 Cb -0.09 -1.03 -0.02 0.00 -1.56 0.00 0.00 34.95 32.25 2d8k s ARG 9 CO 0.19 0.12 0.05 -1.21 -0.81 0.00 0.00 175.30 173.64 2d8k s GLU 10 N 0.24 0.68 -0.84 5.12 2.02 -1.26 -5.06 118.70 119.60 2d8k s GLU 10 Ca -0.04 -1.08 -0.02 0.00 0.02 0.00 0.00 54.97 53.84 2d8k s GLU 10 Cb -0.10 0.25 0.26 0.00 0.10 0.00 0.00 34.13 34.65 2d8k s GLU 10 CO 0.01 -0.17 2.18 0.09 0.02 0.00 0.00 175.26 177.39 2d8k n ASN 11 N 0.13 7.32 0.16 -0.19 4.13 -1.26 -4.66 115.26 120.90 2d8k n ASN 11 Ca -0.15 -3.62 0.12 0.00 1.68 0.00 0.00 54.58 52.61 2d8k n ASN 11 Cb 0.61 -1.15 0.58 0.00 -1.54 0.00 0.00 39.78 38.28 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 3.63 0.00 0.00 3.41 3.38 -1.85 -3.40 115.31 120.48 2d8k h LEU 12 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 2d8k h LEU 12 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2d8k h LEU 12 CO 1.27 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.41 2d8k n GLY 13 N -0.61 1.29 3.43 0.83 0.00 -0.57 -4.11 105.19 105.45 2d8k n GLY 13 Ca 0.00 -1.90 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.48 1.56 -0.02 1.61 1.70 -0.78 -0.90 118.95 119.64 2d8k s ARG 14 Ca 0.00 -1.65 0.03 0.00 -0.47 0.00 0.00 55.73 53.64 2d8k s ARG 14 Cb 0.00 -1.66 -0.00 0.00 -0.57 0.00 0.00 34.95 32.71 2d8k s ARG 14 CO 0.00 0.32 -0.12 -1.50 -1.08 0.00 0.00 175.30 172.93 2d8k s ILE 15 N -2.32 0.96 -0.12 4.99 2.07 -0.86 -2.55 121.20 123.37 2d8k s ILE 15 Ca 0.25 -0.49 -0.02 0.00 -1.41 0.00 0.00 60.65 58.98 2d8k s ILE 15 Cb -0.05 -0.82 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 2d8k s ILE 15 CO 0.12 0.28 -0.05 -1.58 -1.91 0.00 0.00 174.94 171.81 2d8k s GLN 16 N -0.08 3.34 -0.06 3.50 0.74 -1.17 -3.46 119.66 122.47 2d8k s GLN 16 Ca 0.01 -0.52 -0.14 0.00 0.05 0.00 0.00 55.36 54.76 2d8k s GLN 16 Cb -0.07 -2.80 0.03 0.00 1.10 0.00 0.00 33.01 31.27 2d8k s GLN 16 CO 0.00 0.40 0.33 -0.59 -0.55 0.00 0.00 175.29 174.89 2d8k s PHE 17 N -0.09 -0.27 0.01 1.67 -0.71 -1.19 -1.69 117.98 115.72 2d8k s PHE 17 Ca 0.02 0.54 0.03 0.00 -1.04 0.00 0.00 56.93 56.48 2d8k s PHE 17 Cb -0.13 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 2d8k s PHE 17 CO 0.03 -0.31 -0.03 0.45 -1.34 0.00 0.00 175.22 174.01 2d8k s SER 18 N -0.73 4.87 0.01 1.98 0.15 0.34 -2.57 113.70 117.76 2d8k s SER 18 Ca -0.08 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.55 2d8k s SER 18 Cb -0.04 -1.19 -0.02 0.00 -1.71 0.00 0.00 66.02 63.06 2d8k s SER 18 CO 0.03 0.27 -0.24 -0.69 1.20 0.00 0.00 173.24 173.81 2d8k s VAL 19 N -1.07 1.88 -0.30 4.45 1.01 -0.65 -1.82 120.40 123.90 2d8k s VAL 19 Ca 0.19 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 2d8k s VAL 19 Cb -0.11 -1.59 0.17 0.00 0.00 0.00 0.00 36.38 34.85 2d8k s VAL 19 CO 0.10 0.41 0.93 -0.83 0.00 0.00 0.00 175.10 175.70 2d8k s GLY 20 N -0.88 -0.43 -0.25 4.51 0.00 0.02 -1.73 107.32 108.55 2d8k s GLY 20 Ca 0.09 2.67 -0.08 0.00 0.00 0.00 0.00 44.72 47.40 2d8k s GLY 20 CO 0.01 3.51 0.10 -0.47 0.00 0.00 0.00 173.10 176.25 2d8k s TYR 21 N 2.77 3.14 -0.11 1.90 6.14 -1.24 0.94 117.35 130.89 2d8k s TYR 21 Ca 0.03 -0.20 -0.29 0.00 0.64 0.00 0.00 57.07 57.24 2d8k s TYR 21 Cb -0.10 -2.26 -0.01 0.00 0.42 0.00 0.00 41.96 40.01 2d8k s TYR 21 CO -0.15 -0.24 1.00 1.21 0.64 0.00 0.00 175.55 178.01 2d8k s ASN 22 N 1.50 7.23 -0.01 4.32 3.84 0.21 -4.68 114.94 127.36 2d8k s ASN 22 Ca 0.06 1.51 -0.22 0.00 0.21 0.00 0.00 52.86 54.42 2d8k s ASN 22 Cb -0.15 -2.55 -0.14 0.00 -0.55 0.00 0.00 41.25 37.86 2d8k s ASN 22 CO 0.05 -0.44 0.97 -0.26 -2.79 0.00 0.00 177.10 174.63 2d8k h PHE 23 N 7.10 -0.53 -0.56 0.43 -1.00 -1.94 1.11 116.94 121.55 2d8k h PHE 23 Ca -0.31 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.57 2d8k h PHE 23 Cb 1.15 0.17 -0.09 0.00 3.61 0.00 0.00 35.95 40.79 2d8k h PHE 23 CO 0.71 -0.22 -0.01 1.96 -1.61 0.00 0.00 178.31 179.15 2d8k h GLN 24 N -1.02 0.11 -0.00 1.51 1.08 -1.98 0.18 115.11 114.99 2d8k h GLN 24 Ca -0.06 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2d8k h GLN 24 Cb 0.55 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2d8k h GLN 24 CO 0.10 0.07 -0.24 0.39 -0.95 0.00 0.00 178.83 178.20 2d8k n GLU 25 N -5.26 0.28 -4.26 1.46 1.02 -1.24 -4.93 120.64 107.71 2d8k n GLU 25 Ca 0.07 -0.11 -0.37 0.00 -0.02 0.00 0.00 57.16 56.72 2d8k n GLU 25 Cb 0.31 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 2d8k n GLU 25 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2d8k n SER 26 N -1.26 -3.10 -4.36 1.62 7.64 0.37 -4.92 113.62 109.60 2d8k n SER 26 Ca 0.09 -1.03 -0.27 0.00 1.01 0.00 0.00 58.87 58.67 2d8k n SER 26 Cb 0.32 -2.56 -0.12 0.00 -1.01 0.00 0.00 64.21 60.84 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 -3.26 2.10 0.02 0.44 2.01 -0.56 -4.36 115.64 112.03 2d8k s THR 27 Ca 0.76 -1.77 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 2d8k s THR 27 Cb -0.42 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 2d8k s THR 27 CO 0.93 -0.03 0.32 -0.22 -0.69 0.00 0.00 174.62 174.94 2d8k s LEU 28 N -2.20 4.38 -0.24 4.42 2.96 -1.21 0.68 118.68 127.47 2d8k s LEU 28 Ca 0.14 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 2d8k s LEU 28 Cb -0.09 -2.70 0.06 0.00 0.50 0.00 0.00 46.19 43.96 2d8k s LEU 28 CO 0.06 0.26 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.36 2d8k s THR 29 N -1.27 1.96 -0.32 3.68 2.01 0.27 -3.05 115.64 118.92 2d8k s THR 29 Ca 0.27 -1.45 0.03 0.00 0.31 0.00 0.00 61.69 60.86 2d8k s THR 29 Cb -0.14 -2.09 0.09 0.00 0.01 0.00 0.00 72.50 70.37 2d8k s THR 29 CO 0.15 -0.00 0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 2d8k s VAL 30 N 1.21 2.12 -0.14 3.82 1.01 -1.14 -0.80 120.40 126.47 2d8k s VAL 30 Ca -0.07 -2.11 -0.05 0.00 0.00 0.00 0.00 61.98 59.75 2d8k s VAL 30 Cb -0.19 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2d8k s VAL 30 CO -0.06 -0.49 0.05 -0.75 0.00 0.00 0.00 175.10 173.86 2d8k s LYS 31 N 1.01 3.57 -0.47 2.72 2.20 -0.75 -2.66 119.74 125.35 2d8k s LYS 31 Ca 0.07 -0.33 -0.10 0.00 -0.36 0.00 0.00 55.97 55.25 2d8k s LYS 31 Cb -0.19 -3.07 0.12 0.00 -1.51 0.00 0.00 37.83 33.18 2d8k s LYS 31 CO -0.09 0.49 0.35 0.42 -0.36 0.00 0.00 175.35 176.17 2d8k s ILE 32 N -0.26 4.31 0.00 5.43 -1.09 -1.18 -0.51 121.20 127.90 2d8k s ILE 32 Ca 0.08 -1.73 0.00 0.00 -2.23 0.00 0.00 60.65 56.77 2d8k s ILE 32 Cb -0.12 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 2d8k s ILE 32 CO 0.02 -0.76 0.70 0.23 -1.23 0.00 0.00 174.94 173.90 2d8k n MET 33 N 4.94 0.00 -3.83 2.79 2.81 -0.68 0.47 117.12 123.62 2d8k n MET 33 Ca -0.09 0.53 0.01 0.00 -1.81 0.00 0.00 57.70 56.35 2d8k n MET 33 Cb 0.41 -1.20 0.01 0.00 -0.71 0.00 0.00 33.22 31.72 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 -1.82 0.53 0.09 0.03 0.00 -1.25 -1.94 119.74 115.38 2d8k s LYS 34 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 55.97 55.71 2d8k s LYS 34 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 37.83 37.95 2d8k s LYS 34 CO 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 175.35 174.99 2d8k s ALA 35 N -2.23 2.89 0.02 0.59 0.00 -0.87 -3.06 121.76 119.11 2d8k s ALA 35 Ca 0.22 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 2d8k s ALA 35 Cb 0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 2d8k s ALA 35 CO -0.01 0.63 0.14 -0.65 0.00 0.00 0.00 175.76 175.87 2d8k s GLN 36 N -2.06 0.57 -1.25 0.00 -1.52 -1.06 -4.06 119.66 110.28 2d8k s GLN 36 Ca 0.20 -0.56 -0.06 0.00 -1.95 0.00 0.00 55.36 52.98 2d8k s GLN 36 Cb -0.11 0.23 0.01 0.00 -0.22 0.00 0.00 33.01 32.92 2d8k s GLN 36 CO 0.12 -0.15 1.08 0.39 -0.25 0.00 0.00 175.29 176.49 2d8k n GLU 37 N 1.04 -7.27 -3.31 2.91 1.02 -1.26 -1.87 120.64 111.90 2d8k n GLU 37 Ca -0.21 0.79 -0.38 0.00 -0.02 0.00 0.00 57.16 57.34 2d8k n GLU 37 Cb 0.57 -5.71 -0.06 0.00 -0.02 0.00 0.00 31.44 26.22 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 -6.78 4.25 0.75 -4.62 1.43 -1.26 -1.52 118.68 110.93 2d8k s LEU 38 Ca 0.42 0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 2d8k s LEU 38 Cb -0.19 -2.68 0.04 0.00 0.03 0.00 0.00 46.19 43.40 2d8k s LEU 38 CO 0.69 -0.03 1.10 -2.16 0.23 0.00 0.00 176.35 176.17 2d8k s PRO 39 N 0.84 2.37 -0.73 1.29 0.04 -1.26 -4.92 135.00 132.63 2d8k s PRO 39 Ca 0.25 1.22 -0.10 0.00 0.04 0.00 0.00 61.00 62.41 2d8k s PRO 39 Cb -0.15 -1.91 0.19 0.00 0.04 0.00 0.00 34.50 32.67 2d8k s PRO 39 CO 0.10 -1.56 0.63 0.00 0.04 0.00 0.00 177.00 176.21 2d8k s ALA 40 N -2.77 3.87 0.13 8.56 0.00 -1.26 -4.84 121.76 125.46 2d8k s ALA 40 Ca 0.63 -3.24 -0.28 0.00 0.00 0.00 0.00 51.96 49.06 2d8k s ALA 40 Cb -0.18 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2d8k s ALA 40 CO 0.53 -2.19 1.59 0.87 0.00 0.00 0.00 175.76 176.55 2d8k h LYS 41 N 7.60 -0.46 -6.98 0.00 1.79 -1.94 -3.41 116.57 113.17 2d8k h LYS 41 Ca 0.04 0.03 -0.54 0.00 -2.18 0.00 0.00 60.65 57.99 2d8k h LYS 41 Cb 1.01 0.10 0.12 0.00 -1.58 0.00 0.00 32.23 31.89 2d8k h LYS 41 CO 0.76 -0.30 0.72 -0.51 -1.08 0.00 0.00 179.45 179.03 2d8k s ASP 42 N -4.88 5.93 0.27 0.86 1.01 -1.26 -4.91 116.67 113.69 2d8k s ASP 42 Ca -0.15 2.95 -0.03 0.00 0.71 0.00 0.00 52.55 56.02 2d8k s ASP 42 Cb 0.10 -2.66 0.35 0.00 1.01 0.00 0.00 42.92 41.72 2d8k s ASP 42 CO 0.65 -1.14 1.84 0.15 0.21 0.00 0.00 175.17 176.87 2d8k h PHE 43 N 2.41 0.97 0.00 4.23 3.57 -1.90 -3.27 116.94 122.96 2d8k h PHE 43 Ca -0.51 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 60.92 2d8k h PHE 43 Cb 1.26 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2d8k h PHE 43 CO 0.50 0.76 0.00 0.45 -2.23 0.00 0.00 178.31 177.79 2d8k n SER 44 N -4.30 0.00 0.00 0.41 2.88 -1.26 -4.83 113.62 106.52 2d8k n SER 44 Ca 0.06 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2d8k n SER 44 Cb 0.18 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 -0.99 0.05 3.31 0.46 0.00 -1.23 -5.16 105.19 101.63 2d8k n GLY 45 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.57 0.28 2.61 -1.32 -1.26 -4.77 115.64 111.75 2d8k s THR 46 Ca 0.00 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.44 2d8k s THR 46 Cb 0.00 -2.57 -0.01 0.00 -1.51 0.00 0.00 72.50 68.41 2d8k s THR 46 CO 0.00 -0.06 0.38 -0.44 -2.21 0.00 0.00 174.62 172.29 2d8k s SER 47 N -3.29 0.49 -0.93 8.08 0.01 -1.26 -4.42 113.70 112.37 2d8k s SER 47 Ca 0.36 -1.31 -0.03 0.00 1.31 0.00 0.00 55.95 56.27 2d8k s SER 47 Cb 0.08 0.57 0.23 0.00 0.21 0.00 0.00 66.02 67.11 2d8k s SER 47 CO 0.12 -1.13 0.84 -1.81 0.41 0.00 0.00 173.24 171.68 2d8k s ASP 48 N -3.16 6.26 0.17 2.44 1.01 -1.26 -2.67 116.67 119.46 2d8k s ASP 48 Ca 0.31 -3.68 -0.30 0.00 0.71 0.00 0.00 52.55 49.59 2d8k s ASP 48 Cb 0.01 -1.97 -0.08 0.00 1.01 0.00 0.00 42.92 41.89 2d8k s ASP 48 CO 0.15 -0.21 1.32 -2.16 0.21 0.00 0.00 175.17 174.48 2d8k s PRO 49 N -1.30 4.38 -0.00 8.23 0.04 -1.26 -1.34 135.00 143.74 2d8k s PRO 49 Ca 0.28 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.36 2d8k s PRO 49 Cb -0.08 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.25 2d8k s PRO 49 CO -0.11 -0.29 0.01 -0.59 0.04 0.00 0.00 177.00 176.06 2d8k s PHE 50 N 0.35 0.00 0.23 0.56 -0.71 0.01 -4.10 117.98 114.32 2d8k s PHE 50 Ca 0.58 0.03 -0.13 0.00 -1.04 0.00 0.00 56.93 56.37 2d8k s PHE 50 Cb -0.36 -0.04 -0.08 0.00 -1.21 0.00 0.00 43.02 41.33 2d8k s PHE 50 CO 0.36 -0.02 0.62 0.08 -1.34 0.00 0.00 175.22 174.92 2d8k s VAL 51 N 0.21 4.80 -0.09 -2.49 1.01 -1.26 -1.96 120.40 120.61 2d8k s VAL 51 Ca -0.02 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2d8k s VAL 51 Cb -0.02 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.70 2d8k s VAL 51 CO -0.01 0.02 -0.08 -0.54 0.00 0.00 0.00 175.10 174.49 2d8k s LYS 52 N -2.52 1.47 -0.11 2.72 1.02 -0.17 -2.30 119.74 119.85 2d8k s LYS 52 Ca 0.46 -0.26 -0.11 0.00 0.02 0.00 0.00 55.97 56.07 2d8k s LYS 52 Cb -0.13 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.69 2d8k s LYS 52 CO 0.20 -0.17 0.25 0.42 -0.92 0.00 0.00 175.35 175.12 2d8k s ILE 53 N 1.37 5.32 -0.11 2.17 1.01 0.15 -2.03 121.20 129.08 2d8k s ILE 53 Ca -0.02 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.05 2d8k s ILE 53 Cb -0.14 -3.55 0.06 0.00 0.01 0.00 0.00 42.46 38.84 2d8k s ILE 53 CO -0.04 0.53 0.22 -0.31 0.00 0.00 0.00 174.94 175.33 2d8k s TYR 54 N -0.47 -0.32 -1.25 3.97 1.51 -0.52 -1.98 117.35 118.29 2d8k s TYR 54 Ca 0.17 0.82 -0.14 0.00 -1.01 0.00 0.00 57.07 56.91 2d8k s TYR 54 Cb -0.13 -0.12 0.15 0.00 -0.11 0.00 0.00 41.96 41.74 2d8k s TYR 54 CO 0.06 -0.31 1.60 1.28 -1.11 0.00 0.00 175.55 177.06 2d8k n LEU 55 N 5.28 5.50 -4.76 -1.29 4.77 -1.25 -2.06 117.00 123.19 2d8k n LEU 55 Ca -0.06 -4.40 -0.35 0.00 -0.03 0.00 0.00 56.01 51.17 2d8k n LEU 55 Cb 0.50 -1.62 0.02 0.00 -2.33 0.00 0.00 43.42 40.00 2d8k n LEU 55 CO 0.04 0.77 0.80 -0.76 -1.33 0.00 0.00 177.39 176.91 2d8k s LEU 56 N 1.68 3.65 -0.01 2.23 1.43 -1.10 -2.80 118.68 123.77 2d8k s LEU 56 Ca 0.44 2.23 -0.25 0.00 -1.03 0.00 0.00 54.13 55.52 2d8k s LEU 56 Cb 0.01 -4.58 -0.19 0.00 0.03 0.00 0.00 46.19 41.46 2d8k s LEU 56 CO 0.01 -1.45 1.28 1.55 0.23 0.00 0.00 176.35 177.97 2d8k h PRO 57 N 0.85 0.06 -3.43 1.29 0.13 -1.89 -0.81 132.00 128.20 2d8k h PRO 57 Ca -0.50 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.29 2d8k h PRO 57 Cb 1.27 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 2d8k h PRO 57 CO 0.56 0.53 1.27 -0.25 -0.23 0.00 0.00 178.00 179.88 2d8k n ASP 58 N -4.80 -0.22 -1.65 1.44 9.92 -1.12 -4.69 116.55 115.42 2d8k n ASP 58 Ca -0.08 -0.05 -0.13 0.00 -0.53 0.00 0.00 54.79 54.00 2d8k n ASP 58 Cb 0.27 -0.54 0.10 0.00 -0.64 0.00 0.00 41.12 40.31 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2d8k n LYS 59 N 5.12 1.67 -0.06 -1.24 5.02 -1.26 -4.14 118.16 123.28 2d8k n LYS 59 Ca 0.46 -1.60 -0.05 0.00 -2.02 0.00 0.00 58.31 55.09 2d8k n LYS 59 Cb 0.05 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.41 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 -0.38 0.37 -2.44 1.97 4.81 -1.26 -4.72 118.16 116.51 2d8k n LYS 60 Ca 0.32 0.31 -0.38 0.00 -0.87 0.00 0.00 58.31 57.68 2d8k n LYS 60 Cb 1.13 -1.33 -0.02 0.00 0.02 0.00 0.00 35.03 34.82 2d8k n LYS 60 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2d8k s HIS 61 N -2.20 2.48 0.09 5.64 3.76 -1.26 -4.93 115.29 118.86 2d8k s HIS 61 Ca -0.17 -0.84 0.08 0.00 -0.15 0.00 0.00 55.06 53.98 2d8k s HIS 61 Cb 0.02 -4.55 -0.03 0.00 1.11 0.00 0.00 32.58 29.13 2d8k s HIS 61 CO 0.25 -1.75 -0.20 -1.59 -0.85 0.00 0.00 174.74 170.60 2d8k s LYS 62 N 5.08 1.14 0.30 1.40 0.00 -1.26 -3.95 119.74 122.45 2d8k s LYS 62 Ca 0.55 -1.09 0.03 0.00 0.00 0.00 0.00 55.97 55.47 2d8k s LYS 62 Cb 0.01 -1.35 -0.04 0.00 0.00 0.00 0.00 37.83 36.46 2d8k s LYS 62 CO 0.02 0.32 0.16 -0.51 0.00 0.00 0.00 175.35 175.34 2d8k s LEU 63 N -1.73 1.68 0.18 2.77 1.02 -0.84 -5.01 118.68 116.75 2d8k s LEU 63 Ca 0.06 -1.55 -0.12 0.00 0.02 0.00 0.00 54.13 52.54 2d8k s LEU 63 Cb -0.10 0.19 0.00 0.00 0.02 0.00 0.00 46.19 46.30 2d8k s LEU 63 CO 0.03 -0.88 0.37 -0.70 0.02 0.00 0.00 176.35 175.19 2d8k s GLU 64 N -3.82 1.25 0.41 1.70 2.12 -1.26 0.33 118.70 119.43 2d8k s GLU 64 Ca 0.36 -1.09 0.08 0.00 0.36 0.00 0.00 54.97 54.67 2d8k s GLU 64 Cb 0.05 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.87 2d8k s GLU 64 CO 0.17 -0.49 0.51 0.95 -0.54 0.00 0.00 175.26 175.87 2d8k s THR 65 N -3.95 2.99 0.97 -1.70 -4.23 -0.97 -4.98 115.64 103.77 2d8k s THR 65 Ca 0.15 -1.09 -0.11 0.00 -1.18 0.00 0.00 61.69 59.46 2d8k s THR 65 Cb 0.02 -3.03 0.14 0.00 1.34 0.00 0.00 72.50 70.97 2d8k s THR 65 CO -0.00 -0.01 0.90 0.29 -0.54 0.00 0.00 174.62 175.26 2d8k n LYS 66 N -1.75 -0.72 -3.60 3.99 4.76 -1.26 -4.67 118.16 114.91 2d8k n LYS 66 Ca 0.06 -0.16 -0.40 0.00 -2.87 0.00 0.00 58.31 54.95 2d8k n LYS 66 Cb 0.60 -2.20 -0.08 0.00 -1.84 0.00 0.00 35.03 31.51 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 -2.54 4.16 -0.19 -0.18 1.01 -1.26 -4.67 120.40 116.74 2d8k s VAL 67 Ca 0.64 -2.33 -0.29 0.00 0.00 0.00 0.00 61.98 60.00 2d8k s VAL 67 Cb -0.22 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2d8k s VAL 67 CO 0.62 -0.84 1.43 -0.54 0.00 0.00 0.00 175.10 175.76 2d8k s LYS 68 N 0.65 4.03 0.34 2.72 -0.14 -1.26 -5.00 119.74 121.08 2d8k s LYS 68 Ca 0.12 1.65 -0.20 0.00 -1.36 0.00 0.00 55.97 56.18 2d8k s LYS 68 Cb -0.21 -3.90 -0.10 0.00 -1.68 0.00 0.00 37.83 31.94 2d8k s LYS 68 CO -0.03 -0.99 0.84 1.03 -0.76 0.00 0.00 175.35 175.44 2d8k s ARG 69 N 4.07 4.23 -1.30 1.68 1.81 -1.26 -4.00 118.95 124.18 2d8k s ARG 69 Ca 0.63 0.97 -0.03 0.00 -1.72 0.00 0.00 55.73 55.58 2d8k s ARG 69 Cb -0.23 -2.51 -0.00 0.00 -0.45 0.00 0.00 34.95 31.75 2d8k s ARG 69 CO 0.23 0.17 0.65 1.63 -0.68 0.00 0.00 175.30 177.30 2d8k n LYS 70 N -0.06 -3.98 -3.68 3.54 5.02 -1.24 -4.99 118.16 112.78 2d8k n LYS 70 Ca 0.03 0.56 -0.09 0.00 -2.02 0.00 0.00 58.31 56.79 2d8k n LYS 70 Cb 0.52 -4.92 -0.09 0.00 -0.02 0.00 0.00 35.03 30.52 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 -4.23 -0.61 -0.09 4.39 -0.87 -1.09 -4.95 114.94 107.48 2d8k s ASN 71 Ca 0.07 1.08 0.13 0.00 -1.57 0.00 0.00 52.86 52.57 2d8k s ASN 71 Cb -0.02 1.05 -0.18 0.00 -0.02 0.00 0.00 41.25 42.07 2d8k s ASN 71 CO 0.83 -0.21 0.14 0.18 -2.57 0.00 0.00 177.10 175.47 2d8k n LEU 72 N 4.46 0.00 -2.34 0.60 4.77 -1.26 -4.01 117.00 119.22 2d8k n LEU 72 Ca -0.20 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.55 2d8k n LEU 72 Cb 0.55 0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.87 2d8k n LEU 72 CO 0.04 0.21 0.15 0.59 -1.33 0.00 0.00 177.39 177.05 2d8k n ASN 73 N -2.31 4.32 -4.77 -1.43 3.02 -1.26 -4.19 115.26 108.64 2d8k n ASN 73 Ca -0.15 -3.54 -0.31 0.00 -0.03 0.00 0.00 54.58 50.55 2d8k n ASN 73 Cb 0.73 -0.42 0.08 0.00 -0.61 0.00 0.00 39.78 39.57 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 -3.55 2.37 -0.23 3.52 0.04 -1.26 -4.65 135.00 131.24 2d8k s PRO 74 Ca 0.46 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 2d8k s PRO 74 Cb 0.40 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 33.06 2d8k s PRO 74 CO -0.07 -1.56 -0.10 -3.38 0.04 0.00 0.00 177.00 171.92 2d8k s HIS 75 N -2.78 3.00 -0.03 0.56 -3.43 -1.26 -2.06 115.29 109.30 2d8k s HIS 75 Ca 0.62 -1.62 -0.12 0.00 -0.80 0.00 0.00 55.06 53.14 2d8k s HIS 75 Cb -0.18 -2.01 -0.32 0.00 -1.43 0.00 0.00 32.58 28.64 2d8k s HIS 75 CO 0.53 -0.75 0.76 -1.49 -2.00 0.00 0.00 174.74 171.78 2d8k h TRP 76 N 7.97 0.79 -4.74 0.38 6.55 -1.62 -3.47 115.95 121.81 2d8k h TRP 76 Ca -0.35 -0.58 -0.17 0.00 0.95 0.00 0.00 58.89 58.74 2d8k h TRP 76 Cb 1.11 -0.03 -0.10 0.00 -0.86 0.00 0.00 29.16 29.28 2d8k h TRP 76 CO 0.56 1.65 -0.24 -1.71 -1.05 0.00 0.00 178.44 177.64 2d8k n ASN 77 N -3.62 -0.96 -4.91 -3.49 2.85 0.18 -4.84 115.26 100.47 2d8k n ASN 77 Ca -0.22 -0.10 -0.28 0.00 -0.11 0.00 0.00 54.58 53.87 2d8k n ASN 77 Cb 1.08 -0.90 0.03 0.00 1.24 0.00 0.00 39.78 41.24 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 -4.39 2.94 -0.22 1.20 0.41 -1.25 -4.86 118.70 112.53 2d8k s GLU 78 Ca 0.23 0.16 -0.01 0.00 -0.41 0.00 0.00 54.97 54.94 2d8k s GLU 78 Cb -0.13 -2.20 0.06 0.00 -1.78 0.00 0.00 34.13 30.08 2d8k s GLU 78 CO 0.28 -0.78 -0.01 0.99 -0.49 0.00 0.00 175.26 175.25 2d8k s THR 79 N -3.10 1.11 0.12 3.63 2.01 -1.26 -3.10 115.64 115.04 2d8k s THR 79 Ca 0.55 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 2d8k s THR 79 Cb -0.11 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 2d8k s THR 79 CO 0.47 -0.17 0.33 -0.36 -0.69 0.00 0.00 174.62 174.21 2d8k s PHE 80 N 1.59 3.49 -0.02 4.92 0.40 -1.09 -4.98 117.98 122.29 2d8k s PHE 80 Ca -0.03 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 2d8k s PHE 80 Cb -0.18 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.42 2d8k s PHE 80 CO -0.07 0.48 0.01 -0.51 0.70 0.00 0.00 175.22 175.83 2d8k s LEU 81 N -2.56 1.28 -0.35 -0.37 1.43 -1.26 -2.90 118.68 113.94 2d8k s LEU 81 Ca 0.39 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2d8k s LEU 81 Cb -0.12 -0.14 0.09 0.00 0.03 0.00 0.00 46.19 46.05 2d8k s LEU 81 CO 0.25 -0.09 0.08 -0.36 0.23 0.00 0.00 176.35 176.46 2d8k s PHE 82 N 0.86 3.55 -0.11 0.29 0.08 -1.17 -4.95 117.98 116.53 2d8k s PHE 82 Ca -0.08 -2.49 -0.10 0.00 0.12 0.00 0.00 56.93 54.38 2d8k s PHE 82 Cb -0.11 -2.79 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 2d8k s PHE 82 CO -0.02 -0.92 0.22 -1.21 -0.10 0.00 0.00 175.22 173.18 2d8k s GLU 83 N 1.08 3.72 0.00 0.44 2.02 -1.26 -3.33 118.70 121.36 2d8k s GLU 83 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.04 2d8k s GLU 83 Cb -0.21 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.78 2d8k s GLU 83 CO -0.05 0.65 0.00 0.41 0.02 0.00 0.00 175.26 176.29 2d8k n GLY 84 N 2.26 1.25 2.89 -1.39 0.00 -1.26 -5.10 105.19 103.85 2d8k n GLY 84 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 1.71 0.41 1.61 0.40 -1.26 -5.13 117.98 113.72 2d8k s PHE 85 Ca 0.00 -1.07 -0.25 0.00 -0.60 0.00 0.00 56.93 55.01 2d8k s PHE 85 Cb 0.00 -1.32 -0.08 0.00 0.51 0.00 0.00 43.02 42.13 2d8k s PHE 85 CO 0.00 -0.61 1.19 -1.25 0.70 0.00 0.00 175.22 175.24 2d8k s PRO 86 N 1.63 4.02 0.19 0.24 0.04 -1.26 -4.63 135.00 135.22 2d8k s PRO 86 Ca 0.01 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 2d8k s PRO 86 Cb -0.15 -2.66 0.17 0.00 0.04 0.00 0.00 34.50 31.90 2d8k s PRO 86 CO -0.08 -0.36 1.64 -0.92 0.04 0.00 0.00 177.00 177.32 2d8k h TYR 87 N 2.59 -0.29 -0.85 0.56 5.03 -1.94 0.44 116.97 122.51 2d8k h TYR 87 Ca -0.49 0.05 0.25 0.00 2.58 0.00 0.00 58.73 61.12 2d8k h TYR 87 Cb 1.24 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 39.69 2d8k h TYR 87 CO 0.55 -0.23 0.83 1.05 -1.32 0.00 0.00 178.16 179.04 2d8k h GLU 88 N -0.00 0.00 0.00 1.82 4.11 -2.01 -0.81 114.58 117.69 2d8k h GLU 88 Ca 0.25 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.46 2d8k h GLU 88 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2d8k h GLU 88 CO -0.54 0.00 -1.57 1.63 0.07 0.00 0.00 179.01 178.59 2d8k n LYS 89 N -3.66 0.55 -0.09 1.06 5.02 0.12 -4.21 118.16 116.95 2d8k n LYS 89 Ca 0.18 0.33 0.25 0.00 -2.02 0.00 0.00 58.31 57.05 2d8k n LYS 89 Cb 1.12 -1.54 0.54 0.00 -0.02 0.00 0.00 35.03 35.13 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 0.12 -0.08 -0.18 3.04 0.20 0.74 116.25 119.09 2d8k h VAL 90 Ca -0.33 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.20 2d8k h VAL 90 Cb 1.22 0.23 0.01 0.00 -2.01 0.00 0.00 31.29 30.74 2d8k h VAL 90 CO -0.20 0.00 -0.56 -0.37 -1.01 0.00 0.00 177.57 175.43 2d8k h VAL 91 N 0.00 1.37 0.00 1.51 -1.51 -1.36 -3.04 116.25 113.21 2d8k h VAL 91 Ca 0.38 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.94 2d8k h VAL 91 Cb 2.26 2.28 0.00 0.00 -2.13 0.00 0.00 31.29 33.70 2d8k h VAL 91 CO -0.00 0.57 0.00 0.00 -1.23 0.00 0.00 177.57 176.91 2d8k n GLN 92 N -4.20 0.09 -2.43 5.19 6.02 0.25 -2.81 117.38 119.50 2d8k n GLN 92 Ca -0.09 0.48 -0.25 0.00 -0.01 0.00 0.00 57.00 57.14 2d8k n GLN 92 Cb 0.63 -1.73 0.05 0.00 1.02 0.00 0.00 30.24 30.21 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 -3.25 2.56 -0.04 -1.09 1.81 -1.10 -4.81 118.95 113.04 2d8k s ARG 93 Ca 0.01 -0.33 0.04 0.00 -1.72 0.00 0.00 55.73 53.74 2d8k s ARG 93 Cb 0.06 -2.31 -0.00 0.00 -0.45 0.00 0.00 34.95 32.25 2d8k s ARG 93 CO 0.20 -0.87 -0.15 0.42 -0.68 0.00 0.00 175.30 174.21 2d8k s ILE 94 N -3.00 1.25 -0.34 1.52 1.01 -0.31 -2.87 121.20 118.46 2d8k s ILE 94 Ca 0.57 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 2d8k s ILE 94 Cb -0.11 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.30 2d8k s ILE 94 CO 0.43 0.36 1.16 -0.22 0.00 0.00 0.00 174.94 176.67 2d8k s LEU 95 N 0.03 3.86 -0.21 2.97 2.96 0.43 -2.71 118.68 126.01 2d8k s LEU 95 Ca -0.02 0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 54.84 2d8k s LEU 95 Cb -0.10 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 2d8k s LEU 95 CO 0.01 -1.01 -0.06 -0.47 -1.32 0.00 0.00 176.35 173.50 2d8k s TYR 96 N 4.03 2.94 -0.18 5.38 5.04 -0.88 -2.07 117.35 131.62 2d8k s TYR 96 Ca 0.49 -0.97 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 2d8k s TYR 96 Cb -0.13 -2.08 0.04 0.00 0.35 0.00 0.00 41.96 40.14 2d8k s TYR 96 CO 0.21 -0.55 -0.10 -0.51 -1.34 0.00 0.00 175.55 173.26 2d8k s LEU 97 N 1.41 1.98 -0.13 6.97 1.43 -0.84 -1.44 118.68 128.06 2d8k s LEU 97 Ca 0.05 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2d8k s LEU 97 Cb -0.14 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 44.94 2d8k s LEU 97 CO -0.04 -0.13 -0.22 -1.58 0.23 0.00 0.00 176.35 174.61 2d8k s GLN 98 N 1.47 3.03 -0.37 1.70 0.74 -0.86 -1.06 119.66 124.31 2d8k s GLN 98 Ca 0.01 -0.86 -0.10 0.00 0.05 0.00 0.00 55.36 54.46 2d8k s GLN 98 Cb -0.15 -2.41 0.04 0.00 1.10 0.00 0.00 33.01 31.59 2d8k s GLN 98 CO -0.09 0.03 0.19 0.08 -0.55 0.00 0.00 175.29 174.96 2d8k s VAL 99 N 0.71 4.40 0.31 1.34 1.01 -0.89 -0.99 120.40 126.28 2d8k s VAL 99 Ca -0.10 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.01 2d8k s VAL 99 Cb -0.16 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2d8k s VAL 99 CO 0.00 -0.26 -0.01 -0.76 0.00 0.00 0.00 175.10 174.08 2d8k s LEU 100 N 1.51 3.02 -0.25 3.92 1.02 -0.83 -3.11 118.68 123.97 2d8k s LEU 100 Ca 0.01 -0.87 -0.07 0.00 0.02 0.00 0.00 54.13 53.23 2d8k s LEU 100 Cb -0.20 -1.47 -0.02 0.00 0.02 0.00 0.00 46.19 44.52 2d8k s LEU 100 CO 0.06 -0.13 0.05 -1.81 0.02 0.00 0.00 176.35 174.53 2d8k s ASP 101 N -3.69 4.97 0.05 2.29 1.11 -1.25 -0.81 116.67 119.35 2d8k s ASP 101 Ca 0.33 -0.26 -0.31 0.00 0.18 0.00 0.00 52.55 52.50 2d8k s ASP 101 Cb -0.03 -1.89 -0.07 0.00 1.07 0.00 0.00 42.92 42.00 2d8k s ASP 101 CO 0.19 -0.04 1.51 -0.47 1.18 0.00 0.00 175.17 177.54 2d8k s TYR 102 N 1.59 2.76 0.33 4.23 5.04 -0.45 -4.44 117.35 126.40 2d8k s TYR 102 Ca 0.06 0.63 0.04 0.00 -2.44 0.00 0.00 57.07 55.37 2d8k s TYR 102 Cb -0.15 -3.80 0.04 0.00 0.35 0.00 0.00 41.96 38.40 2d8k s TYR 102 CO 0.02 -3.05 0.36 -0.40 -1.34 0.00 0.00 175.55 171.14 2d8k n ASP 103 N 5.17 1.60 -0.09 4.32 5.75 -1.26 -4.20 116.55 127.84 2d8k n ASP 103 Ca 0.14 -1.99 -0.11 0.00 -0.01 0.00 0.00 54.79 52.81 2d8k n ASP 103 Cb 0.42 -0.14 -0.04 0.00 -1.03 0.00 0.00 41.12 40.33 2d8k n ASP 103 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2d8k h ARG 104 N 0.00 0.50 0.00 0.11 2.43 -1.95 -3.45 114.38 112.02 2d8k h ARG 104 Ca -0.18 -0.17 -0.31 0.00 -0.81 0.00 0.00 59.98 58.51 2d8k h ARG 104 Cb 0.73 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.27 2d8k h ARG 104 CO 0.27 0.68 -0.03 1.19 -1.51 0.00 0.00 179.97 180.57 2d8k n PHE 105 N -4.57 -2.59 -0.14 2.20 3.01 -1.26 -5.02 117.46 109.09 2d8k n PHE 105 Ca -0.03 -1.32 -0.09 0.00 1.01 0.00 0.00 57.45 57.02 2d8k n PHE 105 Cb 0.27 -0.36 -0.00 0.00 -0.01 0.00 0.00 39.48 39.38 2d8k n PHE 105 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2d8k h SER 106 N 0.03 0.56 0.00 4.37 0.02 -2.04 -3.42 113.55 113.06 2d8k h SER 106 Ca -0.17 -0.16 -0.58 0.00 -0.84 0.00 0.00 61.79 60.04 2d8k h SER 106 Cb 0.79 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 2d8k h SER 106 CO 0.24 0.56 1.48 0.54 -1.14 0.00 0.00 176.83 178.52 2d8k n ARG 107 N -4.65 0.00 -3.83 3.45 1.74 -1.26 -4.87 116.66 107.24 2d8k n ARG 107 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2d8k n ARG 107 Cb 0.14 -1.42 -0.13 0.00 -1.02 0.00 0.00 32.46 30.03 2d8k n ARG 107 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2d8k s ASN 108 N 7.28 4.81 -0.34 0.55 0.01 -1.26 -4.60 114.94 121.38 2d8k s ASN 108 Ca 1.22 -0.63 -0.21 0.00 -0.71 0.00 0.00 52.86 52.52 2d8k s ASN 108 Cb -1.29 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 38.56 2d8k s ASN 108 CO 0.53 -0.13 0.69 -1.81 -1.51 0.00 0.00 177.10 174.87 2d8k s ASP 109 N 1.47 6.50 0.01 -1.22 1.11 -1.26 -5.03 116.67 118.25 2d8k s ASP 109 Ca 0.03 0.31 -0.30 0.00 0.18 0.00 0.00 52.55 52.77 2d8k s ASP 109 Cb -0.16 -2.35 -0.06 0.00 1.07 0.00 0.00 42.92 41.41 2d8k s ASP 109 CO 0.00 -0.61 1.44 -2.16 1.18 0.00 0.00 175.17 175.03 2d8k s PRO 110 N 2.81 4.27 -0.14 8.23 0.04 -1.26 -3.87 135.00 145.08 2d8k s PRO 110 Ca 0.27 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 2d8k s PRO 110 Cb -0.14 -3.59 -0.24 0.00 0.04 0.00 0.00 34.50 30.57 2d8k s PRO 110 CO 0.14 -0.61 0.70 0.82 0.04 0.00 0.00 177.00 178.10 2d8k h ILE 111 N 4.92 1.66 -2.22 0.56 2.04 -1.91 -3.38 117.51 119.18 2d8k h ILE 111 Ca -0.38 -2.28 0.18 0.00 1.00 0.00 0.00 64.86 63.38 2d8k h ILE 111 Cb 1.18 3.16 -0.10 0.00 -0.74 0.00 0.00 36.82 40.32 2d8k h ILE 111 CO 0.91 0.56 0.53 -0.83 0.00 0.00 0.00 178.15 179.32 2d8k s GLY 112 N -4.23 -0.30 0.09 5.37 0.00 -1.21 -4.07 107.32 102.96 2d8k s GLY 112 Ca -0.19 0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.87 2d8k s GLY 112 CO 0.65 0.10 0.13 -1.83 0.00 0.00 0.00 173.10 172.14 2d8k s GLU 113 N -3.14 0.82 -0.01 2.90 4.04 -0.54 -2.09 118.70 120.67 2d8k s GLU 113 Ca 0.11 -1.10 0.00 0.00 0.04 0.00 0.00 54.97 54.02 2d8k s GLU 113 Cb -0.01 0.30 0.02 0.00 0.02 0.00 0.00 34.13 34.46 2d8k s GLU 113 CO -0.01 -0.24 0.01 0.08 -1.84 0.00 0.00 175.26 173.26 2d8k s VAL 114 N -3.91 0.04 -0.13 1.83 1.01 -0.22 -1.76 120.40 117.27 2d8k s VAL 114 Ca 0.09 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2d8k s VAL 114 Cb 0.06 -0.11 0.01 0.00 0.00 0.00 0.00 36.38 36.34 2d8k s VAL 114 CO -0.08 0.07 -0.20 -0.94 0.00 0.00 0.00 175.10 173.94 2d8k s SER 115 N 0.60 2.91 -0.14 3.32 1.04 -1.26 -1.98 113.70 118.19 2d8k s SER 115 Ca -0.05 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 2d8k s SER 115 Cb -0.08 -1.34 0.07 0.00 0.10 0.00 0.00 66.02 64.77 2d8k s SER 115 CO -0.02 0.07 0.30 -0.63 0.98 0.00 0.00 173.24 173.94 2d8k s ILE 116 N 0.79 -0.46 0.16 -1.02 1.01 -0.88 -5.01 121.20 115.79 2d8k s ILE 116 Ca -0.09 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 2d8k s ILE 116 Cb -0.16 -0.49 -0.08 0.00 0.01 0.00 0.00 42.46 41.74 2d8k s ILE 116 CO -0.00 0.11 1.32 -2.16 0.00 0.00 0.00 174.94 174.21 2d8k s PRO 117 N 2.45 4.37 0.14 2.79 0.04 -1.26 -0.43 135.00 143.10 2d8k s PRO 117 Ca 0.01 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.31 2d8k s PRO 117 Cb -0.12 -3.22 0.90 0.00 0.04 0.00 0.00 34.50 32.10 2d8k s PRO 117 CO -0.09 -0.31 1.70 1.28 0.04 0.00 0.00 177.00 179.62 2d8k n LEU 118 N 3.12 0.42 0.22 -3.56 4.77 -1.14 -2.64 117.00 118.19 2d8k n LEU 118 Ca 0.08 0.57 0.10 0.00 -0.03 0.00 0.00 56.01 56.73 2d8k n LEU 118 Cb 0.43 -0.48 0.38 0.00 -2.33 0.00 0.00 43.42 41.41 2d8k n LEU 118 CO 0.58 -0.30 0.77 -1.13 -1.33 0.00 0.00 177.39 175.98 2d8k h ASN 119 N 0.00 0.00 0.07 -1.43 -1.24 -1.73 -3.26 115.58 107.99 2d8k h ASN 119 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 2d8k h ASN 119 Cb 0.45 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2d8k h ASN 119 CO 0.00 0.21 -0.97 0.11 -1.29 0.00 0.00 177.43 175.50 2d8k h LYS 120 N 0.00 0.14 -6.39 6.67 1.79 -1.84 -3.45 116.57 113.49 2d8k h LYS 120 Ca -0.00 -0.24 -0.54 0.00 -2.18 0.00 0.00 60.65 57.69 2d8k h LYS 120 Cb 0.86 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2d8k h LYS 120 CO 0.03 1.12 0.86 0.54 -1.08 0.00 0.00 179.45 180.92 2d8k s VAL 121 N -2.39 3.59 -1.13 0.50 0.11 -1.23 -4.90 120.40 114.96 2d8k s VAL 121 Ca -0.21 0.98 -0.23 0.00 -2.93 0.00 0.00 61.98 59.59 2d8k s VAL 121 Cb 0.02 -3.63 -0.09 0.00 -1.53 0.00 0.00 36.38 31.15 2d8k s VAL 121 CO 0.72 -0.00 1.96 -1.81 -3.33 0.00 0.00 175.10 172.64 2d8k s ASP 122 N 1.97 4.89 0.61 3.54 1.01 -1.26 -4.73 116.67 122.70 2d8k s ASP 122 Ca 0.66 -1.44 0.23 0.00 0.71 0.00 0.00 52.55 52.71 2d8k s ASP 122 Cb -0.33 -2.59 1.25 0.00 1.01 0.00 0.00 42.92 42.26 2d8k s ASP 122 CO 0.27 -3.19 1.68 -0.07 0.21 0.00 0.00 175.17 174.08 2d8k h LEU 123 N 18.24 0.00 -1.11 1.23 3.38 -1.90 -2.21 115.31 132.93 2d8k h LEU 123 Ca 0.18 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.44 2d8k h LEU 123 Cb 0.95 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 2d8k h LEU 123 CO 1.20 0.00 1.18 0.71 0.09 0.00 0.00 178.44 181.62 2d8k h THR 124 N 0.00 0.02 -2.36 0.22 1.35 -1.85 -3.28 112.91 107.02 2d8k h THR 124 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.80 2d8k h THR 124 Cb 0.85 0.04 -0.18 0.00 -1.73 0.00 0.00 68.15 67.14 2d8k h THR 124 CO 0.00 0.00 0.10 0.00 -0.25 0.00 0.00 175.52 175.37 2d8k s GLN 125 N -4.45 1.02 0.21 4.72 -2.07 -0.83 -5.00 119.66 113.25 2d8k s GLN 125 Ca -0.03 0.05 -0.32 0.00 -1.82 0.00 0.00 55.36 53.24 2d8k s GLN 125 Cb 0.14 0.48 -0.15 0.00 -1.09 0.00 0.00 33.01 32.39 2d8k s GLN 125 CO 0.47 -0.34 1.24 -0.12 -1.32 0.00 0.00 175.29 175.22 2d8k n MET 126 N 0.75 1.50 -3.75 9.60 0.00 -1.26 -4.77 117.12 119.20 2d8k n MET 126 Ca -0.19 0.53 -0.14 0.00 -0.00 0.00 0.00 57.70 57.90 2d8k n MET 126 Cb 0.58 -2.08 -0.15 0.00 0.00 0.00 0.00 33.22 31.58 2d8k n MET 126 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2d8k s GLN 127 N -0.51 0.06 0.35 2.12 -0.21 -0.71 -4.97 119.66 115.79 2d8k s GLN 127 Ca 0.70 0.34 -0.03 0.00 0.02 0.00 0.00 55.36 56.39 2d8k s GLN 127 Cb -0.76 -0.21 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 2d8k s GLN 127 CO 0.52 -0.18 0.60 0.99 -2.12 0.00 0.00 175.29 175.11 2d8k s THR 128 N 1.22 5.02 -0.05 -0.19 2.01 -1.26 -1.64 115.64 120.75 2d8k s THR 128 Ca -0.08 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 2d8k s THR 128 Cb -0.12 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.61 2d8k s THR 128 CO -0.05 -0.52 0.27 -0.36 -0.69 0.00 0.00 174.62 173.27 2d8k s PHE 129 N -2.30 -0.20 -0.30 4.92 0.08 -1.06 -5.00 117.98 114.12 2d8k s PHE 129 Ca 0.43 0.41 0.02 0.00 0.12 0.00 0.00 56.93 57.91 2d8k s PHE 129 Cb -0.10 0.07 0.09 0.00 -0.57 0.00 0.00 43.02 42.51 2d8k s PHE 129 CO 0.35 -0.27 0.03 -1.58 -0.10 0.00 0.00 175.22 173.65 2d8k s TRP 130 N -0.69 2.72 -0.01 0.36 0.52 -1.26 -3.17 118.94 117.40 2d8k s TRP 130 Ca -0.08 -2.23 0.06 0.00 0.02 0.00 0.00 56.10 53.88 2d8k s TRP 130 Cb -0.04 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.13 2d8k s TRP 130 CO 0.02 -0.87 -0.20 0.15 0.02 0.00 0.00 176.95 176.06 2d8k s LYS 131 N 1.27 1.61 -0.26 4.98 -0.14 -1.22 -5.03 119.74 120.95 2d8k s LYS 131 Ca 0.05 -0.76 -0.27 0.00 -1.36 0.00 0.00 55.97 53.63 2d8k s LYS 131 Cb -0.18 -1.58 0.01 0.00 -1.68 0.00 0.00 37.83 34.39 2d8k s LYS 131 CO -0.12 0.43 0.95 0.34 -0.76 0.00 0.00 175.35 176.18 2d8k s ASP 132 N -0.59 6.92 -0.83 2.83 -1.08 -1.26 -2.04 116.67 120.63 2d8k s ASP 132 Ca 0.08 1.10 -0.33 0.00 -0.52 0.00 0.00 52.55 52.88 2d8k s ASP 132 Cb -0.08 -2.49 -0.20 0.00 -1.46 0.00 0.00 42.92 38.69 2d8k s ASP 132 CO -0.00 -0.66 2.55 0.18 0.52 0.00 0.00 175.17 177.75 2d8k n LEU 133 N 6.33 0.66 -4.71 -1.34 4.77 -0.08 -4.84 117.00 117.79 2d8k n LEU 133 Ca 0.09 0.21 -0.36 0.00 -0.03 0.00 0.00 56.01 55.92 2d8k n LEU 133 Cb 0.47 -1.00 0.09 0.00 -2.33 0.00 0.00 43.42 40.65 2d8k n LEU 133 CO 0.52 -0.81 0.83 0.29 -1.33 0.00 0.00 177.39 176.89 2d8k n LYS 134 N 8.36 0.75 -2.08 3.23 4.76 -0.72 -4.56 118.16 127.89 2d8k n LYS 134 Ca 0.60 0.32 -0.42 0.00 -2.87 0.00 0.00 58.31 55.94 2d8k n LYS 134 Cb 0.08 -2.48 -0.03 0.00 -1.84 0.00 0.00 35.03 30.76 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 -3.63 3.30 0.00 1.97 0.04 -1.26 -1.47 135.00 133.94 2d8k s PRO 135 Ca 0.79 1.21 0.21 0.00 0.04 0.00 0.00 61.00 63.25 2d8k s PRO 135 Cb -0.35 -4.18 0.33 0.00 0.04 0.00 0.00 34.50 30.34 2d8k s PRO 135 CO 0.45 -1.90 1.30 0.45 0.04 0.00 0.00 177.00 177.33 2d8k n SER 136 N 10.27 3.17 -4.70 6.66 2.88 -1.26 -4.92 113.62 125.73 2d8k n SER 136 Ca 0.21 -1.94 -0.23 0.00 -1.33 0.00 0.00 58.87 55.59 2d8k n SER 136 Cb 0.48 -0.17 -0.06 0.00 -0.75 0.00 0.00 64.21 63.70 2d8k n SER 136 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d8k s GLY 137 N -1.49 1.65 -0.50 0.46 0.00 -1.26 -4.95 107.32 101.23 2d8k s GLY 137 Ca 0.33 -1.63 -0.27 0.00 0.00 0.00 0.00 44.72 43.14 2d8k s GLY 137 CO 0.28 -1.67 1.79 2.56 0.00 0.00 0.00 173.10 176.06 2d8k s PRO 138 N -3.74 2.97 0.46 2.90 0.04 -1.26 -4.98 135.00 131.39 2d8k s PRO 138 Ca 0.33 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.36 2d8k s PRO 138 Cb -0.06 -4.28 0.01 0.00 0.04 0.00 0.00 34.50 30.21 2d8k s PRO 138 CO 0.21 -2.31 0.50 -1.54 0.04 0.00 0.00 177.00 173.91 2d8k s SER 139 N 6.94 5.16 0.10 6.66 1.04 -1.26 -5.15 113.70 127.19 2d8k s SER 139 Ca 0.71 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 2d8k s SER 139 Cb -0.16 -0.32 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 2d8k s SER 139 CO 0.26 -0.86 0.10 -0.55 0.98 0.00 0.00 173.24 173.18 2d8k s SER 140 N -4.30 0.27 0.00 7.02 0.15 -1.26 -5.22 113.70 110.37 2d8k s SER 140 Ca 0.50 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.22 2d8k s SER 140 Cb -0.05 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2d8k s SER 140 CO 0.30 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.64