#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 6.52 0.10 1.61 0.15 -1.26 -5.05 113.70 115.77 2d8k s SER 2 Ca 0.00 1.11 -0.30 0.00 0.70 0.00 0.00 55.95 57.46 2d8k s SER 2 Cb 0.00 -2.31 -0.06 0.00 -1.71 0.00 0.00 66.02 61.94 2d8k s SER 2 CO 0.00 -0.39 0.96 -0.44 1.20 0.00 0.00 173.24 174.57 2d8k s SER 3 N -3.16 7.49 0.00 5.45 0.01 -1.26 -4.96 113.70 117.27 2d8k s SER 3 Ca 0.51 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.55 2d8k s SER 3 Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2d8k s SER 3 CO 0.31 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2d8k n GLY 4 N 2.29 -2.06 3.74 3.44 0.00 -1.26 -5.17 105.19 106.16 2d8k n GLY 4 Ca 0.02 0.99 -0.29 0.00 0.00 0.00 0.00 46.02 46.74 2d8k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k s SER 5 N 0.00 3.48 0.19 1.61 0.01 -1.26 -5.08 113.70 112.66 2d8k s SER 5 Ca 0.00 1.29 -0.24 0.00 1.31 0.00 0.00 55.95 58.32 2d8k s SER 5 Cb 0.00 -1.96 0.06 0.00 0.21 0.00 0.00 66.02 64.32 2d8k s SER 5 CO 0.00 -2.61 0.92 -0.94 0.41 0.00 0.00 173.24 171.02 2d8k s SER 6 N -3.63 -0.17 0.12 2.44 1.04 -1.26 -5.16 113.70 107.08 2d8k s SER 6 Ca 0.63 -0.50 -0.25 0.00 0.48 0.00 0.00 55.95 56.32 2d8k s SER 6 Cb -0.17 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.58 2d8k s SER 6 CO 0.56 -1.03 1.10 -0.83 0.98 0.00 0.00 173.24 174.03 2d8k s GLY 7 N -2.98 -0.04 -0.00 7.32 0.00 -1.26 -4.88 107.32 105.48 2d8k s GLY 7 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.73 2d8k s GLY 7 CO 0.04 2.45 -0.07 1.44 0.00 0.00 0.00 173.10 176.96 2d8k n SER 8 N -1.01 0.90 -3.78 1.64 7.64 -1.26 -5.08 113.62 112.68 2d8k n SER 8 Ca -0.03 0.13 -0.13 0.00 1.01 0.00 0.00 58.87 59.86 2d8k n SER 8 Cb 0.60 -0.31 -0.12 0.00 -1.01 0.00 0.00 64.21 63.37 2d8k n SER 8 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2d8k s ARG 9 N -2.15 0.28 0.21 1.43 3.52 -1.26 -5.17 118.95 115.81 2d8k s ARG 9 Ca -0.07 0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 55.91 2d8k s ARG 9 Cb 0.02 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 2d8k s ARG 9 CO 0.09 -0.06 0.14 -1.21 -0.81 0.00 0.00 175.30 173.45 2d8k s GLU 10 N 0.35 1.26 -0.35 5.12 0.41 -1.26 -5.08 118.70 119.15 2d8k s GLU 10 Ca -0.02 -1.67 0.11 0.00 -0.41 0.00 0.00 54.97 52.98 2d8k s GLU 10 Cb -0.03 0.22 0.45 0.00 -1.78 0.00 0.00 34.13 32.99 2d8k s GLU 10 CO -0.01 -0.40 1.11 0.27 -0.49 0.00 0.00 175.26 175.73 2d8k n ASN 11 N -0.37 3.71 0.13 -0.19 6.94 -1.26 -4.84 115.26 119.38 2d8k n ASN 11 Ca 0.02 -3.29 0.05 0.00 -0.02 0.00 0.00 54.58 51.34 2d8k n ASN 11 Cb 0.66 -0.44 0.48 0.00 -2.36 0.00 0.00 39.78 38.12 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2d8k h LEU 12 N 2.54 0.21 0.00 -4.53 -0.00 -1.81 -3.26 115.31 108.47 2d8k h LEU 12 Ca 0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 2d8k h LEU 12 Cb 1.21 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2d8k h LEU 12 CO 0.66 0.25 0.00 0.61 -0.00 0.00 0.00 178.44 179.96 2d8k n GLY 13 N -1.24 -1.82 3.22 0.83 0.00 -0.74 -4.17 105.19 101.28 2d8k n GLY 13 Ca -0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 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 0.99 0.02 1.61 1.70 -0.38 -0.32 118.95 122.57 2d8k s ARG 14 Ca 0.00 -1.42 0.04 0.00 -0.47 0.00 0.00 55.73 53.88 2d8k s ARG 14 Cb 0.00 -0.46 -0.02 0.00 -0.57 0.00 0.00 34.95 33.91 2d8k s ARG 14 CO 0.00 0.03 -0.12 -1.50 -1.08 0.00 0.00 175.30 172.62 2d8k s ILE 15 N -3.45 0.98 -0.21 4.99 2.07 -0.67 -2.49 121.20 122.42 2d8k s ILE 15 Ca 0.16 -0.77 0.01 0.00 -1.41 0.00 0.00 60.65 58.64 2d8k s ILE 15 Cb 0.04 -0.87 0.04 0.00 0.13 0.00 0.00 42.46 41.80 2d8k s ILE 15 CO -0.01 0.09 -0.12 -1.58 -1.91 0.00 0.00 174.94 171.41 2d8k s GLN 16 N -0.77 2.26 0.01 3.50 0.74 -1.16 -3.24 119.66 120.99 2d8k s GLN 16 Ca 0.02 -0.96 0.01 0.00 0.05 0.00 0.00 55.36 54.48 2d8k s GLN 16 Cb -0.06 -2.56 -0.01 0.00 1.10 0.00 0.00 33.01 31.48 2d8k s GLN 16 CO 0.00 -0.42 -0.05 -0.59 -0.55 0.00 0.00 175.29 173.68 2d8k s PHE 17 N 1.30 0.43 -0.05 1.67 -0.71 -1.21 -1.57 117.98 117.84 2d8k s PHE 17 Ca -0.02 -0.18 -0.11 0.00 -1.04 0.00 0.00 56.93 55.57 2d8k s PHE 17 Cb -0.17 -0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.33 2d8k s PHE 17 CO -0.08 -0.03 0.29 -1.54 -1.34 0.00 0.00 175.22 172.52 2d8k s SER 18 N -0.48 6.62 -0.01 1.98 1.04 0.12 -2.60 113.70 120.38 2d8k s SER 18 Ca -0.02 0.74 0.08 0.00 0.48 0.00 0.00 55.95 57.24 2d8k s SER 18 Cb -0.04 -2.17 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 2d8k s SER 18 CO -0.00 0.36 -0.26 -0.69 0.98 0.00 0.00 173.24 173.63 2d8k s VAL 19 N -1.03 2.08 -0.30 5.02 1.01 -0.48 -1.99 120.40 124.71 2d8k s VAL 19 Ca 0.20 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2d8k s VAL 19 Cb -0.15 -1.73 0.19 0.00 0.00 0.00 0.00 36.38 34.70 2d8k s VAL 19 CO 0.09 0.55 1.23 -0.83 0.00 0.00 0.00 175.10 176.14 2d8k s GLY 20 N -0.70 0.25 -0.18 4.51 0.00 -0.95 -1.80 107.32 108.46 2d8k s GLY 20 Ca 0.10 3.58 -0.02 0.00 0.00 0.00 0.00 44.72 48.38 2d8k s GLY 20 CO -0.01 3.25 -0.09 -0.47 0.00 0.00 0.00 173.10 175.79 2d8k s TYR 21 N 1.95 2.89 0.34 1.90 6.14 -1.19 -0.07 117.35 129.30 2d8k s TYR 21 Ca -0.01 -0.83 -0.26 0.00 0.64 0.00 0.00 57.07 56.61 2d8k s TYR 21 Cb -0.02 -1.98 -0.10 0.00 0.42 0.00 0.00 41.96 40.29 2d8k s TYR 21 CO -0.15 -0.40 0.97 1.21 0.64 0.00 0.00 175.55 177.82 2d8k s ASN 22 N 0.93 7.23 -0.17 4.32 3.84 0.67 -4.35 114.94 127.42 2d8k s ASN 22 Ca -0.02 1.88 -0.20 0.00 0.21 0.00 0.00 52.86 54.74 2d8k s ASN 22 Cb -0.15 -2.58 -0.17 0.00 -0.55 0.00 0.00 41.25 37.80 2d8k s ASN 22 CO -0.00 -0.14 0.29 -0.26 -2.79 0.00 0.00 177.10 174.19 2d8k h PHE 23 N 3.06 0.00 0.53 0.43 0.04 -1.96 -2.61 116.94 116.43 2d8k h PHE 23 Ca -0.47 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.28 2d8k h PHE 23 Cb 1.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 2d8k h PHE 23 CO 0.61 1.02 -0.38 1.96 -0.60 0.00 0.00 178.31 180.92 2d8k h GLN 24 N -1.00 -0.85 0.00 1.51 7.50 -1.98 -1.90 115.11 118.40 2d8k h GLN 24 Ca -0.18 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.03 2d8k h GLN 24 Cb 1.00 0.19 0.00 0.00 0.05 0.00 0.00 27.48 28.72 2d8k h GLN 24 CO -0.11 -0.56 0.00 0.39 -1.50 0.00 0.00 178.83 177.05 2d8k n GLU 25 N -5.50 0.03 -4.03 1.46 1.02 -1.26 -4.90 120.64 107.46 2d8k n GLU 25 Ca -0.12 0.20 -0.29 0.00 -0.02 0.00 0.00 57.16 56.93 2d8k n GLU 25 Cb 0.39 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.62 -0.72 -4.04 1.62 7.64 -0.71 -4.96 113.62 110.83 2d8k n SER 26 Ca 0.04 -1.10 -0.11 0.00 1.01 0.00 0.00 58.87 58.72 2d8k n SER 26 Cb 0.24 -2.62 -0.11 0.00 -1.01 0.00 0.00 64.21 60.70 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 -3.99 0.37 -0.12 0.44 2.01 -1.08 -4.35 115.64 108.91 2d8k s THR 27 Ca 0.08 -1.08 -0.08 0.00 0.31 0.00 0.00 61.69 60.92 2d8k s THR 27 Cb -0.04 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 2d8k s THR 27 CO 0.92 -0.47 0.16 -0.22 -0.69 0.00 0.00 174.62 174.32 2d8k s LEU 28 N -1.65 4.38 -0.21 4.42 2.96 -1.16 -0.24 118.68 127.19 2d8k s LEU 28 Ca -0.11 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2d8k s LEU 28 Cb -0.09 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.52 2d8k s LEU 28 CO -0.01 0.38 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.37 2d8k s THR 29 N -0.92 2.01 -0.33 3.68 2.01 0.89 -2.35 115.64 120.63 2d8k s THR 29 Ca 0.15 -1.21 0.04 0.00 0.31 0.00 0.00 61.69 60.98 2d8k s THR 29 Cb -0.12 -1.98 0.09 0.00 0.01 0.00 0.00 72.50 70.50 2d8k s THR 29 CO 0.04 0.25 0.02 -0.69 -0.69 0.00 0.00 174.62 173.56 2d8k s VAL 30 N 1.24 2.26 -0.21 3.82 1.01 -1.25 -2.23 120.40 125.05 2d8k s VAL 30 Ca -0.01 -2.23 -0.14 0.00 0.00 0.00 0.00 61.98 59.59 2d8k s VAL 30 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2d8k s VAL 30 CO -0.09 -0.51 0.32 -0.75 0.00 0.00 0.00 175.10 174.07 2d8k s LYS 31 N 0.93 4.14 -0.89 2.72 2.20 -0.84 -3.53 119.74 124.48 2d8k s LYS 31 Ca 0.08 0.04 -0.14 0.00 -0.36 0.00 0.00 55.97 55.59 2d8k s LYS 31 Cb -0.19 -3.53 0.21 0.00 -1.51 0.00 0.00 37.83 32.80 2d8k s LYS 31 CO -0.08 0.01 0.88 0.42 -0.36 0.00 0.00 175.35 176.22 2d8k s ILE 32 N 1.19 5.48 0.00 5.43 -1.09 -1.20 0.12 121.20 131.14 2d8k s ILE 32 Ca 0.15 -2.42 0.00 0.00 -2.23 0.00 0.00 60.65 56.15 2d8k s ILE 32 Cb -0.14 -4.55 0.00 0.00 -1.58 0.00 0.00 42.46 36.19 2d8k s ILE 32 CO 0.07 -1.15 0.73 0.23 -1.23 0.00 0.00 174.94 173.59 2d8k n MET 33 N 4.34 0.00 -3.77 2.79 2.81 -0.61 0.22 117.12 122.90 2d8k n MET 33 Ca 0.17 0.72 0.01 0.00 -1.81 0.00 0.00 57.70 56.80 2d8k n MET 33 Cb 0.46 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 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 -1.92 0.48 0.35 0.03 0.00 -1.22 -1.75 119.74 115.71 2d8k s LYS 34 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 55.97 55.76 2d8k s LYS 34 Cb 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 37.83 37.95 2d8k s LYS 34 CO 0.00 -0.22 0.27 0.00 0.00 0.00 0.00 175.35 175.40 2d8k s ALA 35 N -2.29 3.79 -0.03 0.59 0.00 -0.91 -2.99 121.76 119.92 2d8k s ALA 35 Ca 0.20 -1.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.12 2d8k s ALA 35 Cb 0.02 -1.04 0.07 0.00 0.00 0.00 0.00 23.12 22.18 2d8k s ALA 35 CO -0.02 -0.03 0.68 -0.65 0.00 0.00 0.00 175.76 175.74 2d8k s GLN 36 N -3.98 1.07 -1.32 0.00 -0.21 -1.04 -4.40 119.66 109.77 2d8k s GLN 36 Ca 0.41 0.19 -0.07 0.00 0.02 0.00 0.00 55.36 55.91 2d8k s GLN 36 Cb -0.04 0.50 0.01 0.00 1.00 0.00 0.00 33.01 34.48 2d8k s GLN 36 CO 0.26 -0.35 0.98 0.39 -2.12 0.00 0.00 175.29 174.45 2d8k n GLU 37 N 0.79 -6.80 -3.21 2.91 1.02 -1.26 -1.25 120.64 112.83 2d8k n GLU 37 Ca -0.19 0.80 -0.39 0.00 -0.02 0.00 0.00 57.16 57.37 2d8k n GLU 37 Cb 0.58 -5.66 -0.06 0.00 -0.02 0.00 0.00 31.44 26.28 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 4.36 1.19 -4.62 1.43 -1.26 -1.79 118.68 111.21 2d8k s LEU 38 Ca 0.49 1.06 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 2d8k s LEU 38 Cb -0.21 -2.88 0.28 0.00 0.03 0.00 0.00 46.19 43.41 2d8k s LEU 38 CO 0.60 0.03 1.11 -2.16 0.23 0.00 0.00 176.35 176.17 2d8k s PRO 39 N 0.23 -1.13 -0.27 1.29 0.04 -1.23 -4.90 135.00 129.02 2d8k s PRO 39 Ca 0.31 -0.03 0.01 0.00 0.04 0.00 0.00 61.00 61.33 2d8k s PRO 39 Cb -0.17 -1.60 0.08 0.00 0.04 0.00 0.00 34.50 32.84 2d8k s PRO 39 CO 0.15 -3.66 0.00 0.00 0.04 0.00 0.00 177.00 173.54 2d8k s ALA 40 N -3.00 2.09 0.10 8.56 0.00 -1.26 -4.79 121.76 123.46 2d8k s ALA 40 Ca 0.71 -1.70 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 2d8k s ALA 40 Cb -0.10 -1.60 -0.11 0.00 0.00 0.00 0.00 23.12 21.31 2d8k s ALA 40 CO 0.56 -1.41 1.73 0.87 0.00 0.00 0.00 175.76 177.51 2d8k h LYS 41 N 7.90 0.14 -7.26 0.00 1.79 -1.97 -3.44 116.57 113.73 2d8k h LYS 41 Ca -0.14 -0.01 -0.52 0.00 -2.18 0.00 0.00 60.65 57.81 2d8k h LYS 41 Cb 1.05 -0.03 0.14 0.00 -1.58 0.00 0.00 32.23 31.80 2d8k h LYS 41 CO 0.45 0.12 0.33 -0.51 -1.08 0.00 0.00 179.45 178.76 2d8k s ASP 42 N -5.32 4.38 0.02 0.86 1.11 -1.25 -4.97 116.67 111.49 2d8k s ASP 42 Ca -0.13 1.98 -0.18 0.00 0.18 0.00 0.00 52.55 54.40 2d8k s ASP 42 Cb 0.07 -2.54 -0.24 0.00 1.07 0.00 0.00 42.92 41.28 2d8k s ASP 42 CO 0.68 -2.12 1.12 -0.26 1.18 0.00 0.00 175.17 175.76 2d8k h PHE 43 N -0.86 0.73 -0.79 4.23 0.04 -1.88 -3.34 116.94 115.06 2d8k h PHE 43 Ca -0.45 -0.40 0.07 0.00 2.80 0.00 0.00 57.97 60.00 2d8k h PHE 43 Cb 1.25 -0.08 -0.10 0.00 2.20 0.00 0.00 35.95 39.22 2d8k h PHE 43 CO 0.55 1.22 -0.47 0.43 -0.60 0.00 0.00 178.31 179.44 2d8k n SER 44 N -4.12 -0.84 0.00 2.17 7.64 -1.26 -4.78 113.62 112.43 2d8k n SER 44 Ca -0.11 1.42 0.00 0.00 1.01 0.00 0.00 58.87 61.20 2d8k n SER 44 Cb 0.73 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2d8k n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8k n GLY 45 N -1.20 0.02 3.65 0.23 0.00 -1.25 -5.17 105.19 101.47 2d8k n GLY 45 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.04 0.00 0.32 2.61 -1.32 -1.26 -5.01 115.64 110.94 2d8k s THR 46 Ca 0.00 -0.30 -0.19 0.00 -1.21 0.00 0.00 61.69 59.99 2d8k s THR 46 Cb 0.00 -1.90 0.04 0.00 -1.51 0.00 0.00 72.50 69.13 2d8k s THR 46 CO 0.00 0.00 0.78 -0.44 -2.21 0.00 0.00 174.62 172.75 2d8k s SER 47 N -2.90 -0.11 -0.89 8.08 0.01 -1.26 -3.92 113.70 112.70 2d8k s SER 47 Ca 0.13 -0.87 -0.03 0.00 1.31 0.00 0.00 55.95 56.49 2d8k s SER 47 Cb 0.03 0.77 0.22 0.00 0.21 0.00 0.00 66.02 67.25 2d8k s SER 47 CO -0.03 -1.48 0.79 1.51 0.41 0.00 0.00 173.24 174.44 2d8k s ASP 48 N -3.02 6.12 0.65 2.44 1.47 -1.26 -2.76 116.67 120.32 2d8k s ASP 48 Ca 0.14 -3.58 -0.15 0.00 1.18 0.00 0.00 52.55 50.14 2d8k s ASP 48 Cb -0.05 -1.95 -0.00 0.00 -0.34 0.00 0.00 42.92 40.57 2d8k s ASP 48 CO 0.09 -0.23 1.11 -2.16 0.68 0.00 0.00 175.17 174.66 2d8k s PRO 49 N -1.15 2.82 -0.18 2.11 0.04 -1.24 -3.03 135.00 134.36 2d8k s PRO 49 Ca 0.26 1.40 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 2d8k s PRO 49 Cb -0.09 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.57 2d8k s PRO 49 CO -0.11 -1.23 0.74 -0.59 0.04 0.00 0.00 177.00 175.85 2d8k s PHE 50 N -2.31 -0.70 0.10 0.56 -0.12 0.11 -3.58 117.98 112.04 2d8k s PHE 50 Ca 0.67 1.50 -0.16 0.00 -0.05 0.00 0.00 56.93 58.89 2d8k s PHE 50 Cb -0.21 0.34 -0.07 0.00 -0.63 0.00 0.00 43.02 42.46 2d8k s PHE 50 CO 0.41 -0.45 0.53 0.08 -0.05 0.00 0.00 175.22 175.73 2d8k s VAL 51 N -0.31 4.85 -0.22 -2.49 1.01 -1.26 -1.30 120.40 120.68 2d8k s VAL 51 Ca -0.04 0.95 0.02 0.00 0.00 0.00 0.00 61.98 62.90 2d8k s VAL 51 Cb -0.03 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2d8k s VAL 51 CO 0.04 0.40 -0.12 -0.75 0.00 0.00 0.00 175.10 174.67 2d8k s LYS 52 N -1.54 2.27 -0.03 2.72 2.20 -0.65 -1.41 119.74 123.30 2d8k s LYS 52 Ca 0.33 -1.00 -0.18 0.00 -0.36 0.00 0.00 55.97 54.76 2d8k s LYS 52 Cb -0.17 -2.60 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 2d8k s LYS 52 CO 0.18 -0.44 0.48 0.42 -0.36 0.00 0.00 175.35 175.64 2d8k s ILE 53 N 1.28 5.03 -0.15 5.43 1.01 0.39 -1.93 121.20 132.27 2d8k s ILE 53 Ca -0.03 0.99 -0.06 0.00 0.00 0.00 0.00 60.65 61.55 2d8k s ILE 53 Cb -0.17 -3.81 0.06 0.00 0.01 0.00 0.00 42.46 38.56 2d8k s ILE 53 CO -0.08 0.46 0.33 -0.31 0.00 0.00 0.00 174.94 175.33 2d8k s TYR 54 N -0.31 -0.52 -0.98 3.97 1.51 -0.27 -1.70 117.35 119.04 2d8k s TYR 54 Ca 0.26 1.12 -0.15 0.00 -1.01 0.00 0.00 57.07 57.29 2d8k s TYR 54 Cb -0.17 0.13 0.18 0.00 -0.11 0.00 0.00 41.96 42.00 2d8k s TYR 54 CO 0.14 -0.35 1.09 -0.51 -1.11 0.00 0.00 175.55 174.80 2d8k s LEU 55 N 1.92 5.68 0.52 -1.29 1.43 -1.26 -1.55 118.68 124.13 2d8k s LEU 55 Ca -0.05 -2.59 -0.19 0.00 -1.03 0.00 0.00 54.13 50.27 2d8k s LEU 55 Cb -0.11 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.72 2d8k s LEU 55 CO -0.10 -0.77 1.05 -0.76 0.23 0.00 0.00 176.35 175.99 2d8k s LEU 56 N 1.31 3.73 0.26 1.79 1.43 -1.17 -1.73 118.68 124.30 2d8k s LEU 56 Ca 0.30 1.90 0.03 0.00 -1.03 0.00 0.00 54.13 55.33 2d8k s LEU 56 Cb -0.06 -4.55 0.32 0.00 0.03 0.00 0.00 46.19 41.93 2d8k s LEU 56 CO -0.07 -0.91 1.63 1.55 0.23 0.00 0.00 176.35 178.78 2d8k h PRO 57 N 1.20 0.36 -3.63 1.29 0.13 -1.90 -2.50 132.00 126.95 2d8k h PRO 57 Ca -0.49 -0.19 -0.45 0.00 -0.87 0.00 0.00 66.00 64.00 2d8k h PRO 57 Cb 1.22 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2d8k h PRO 57 CO 0.58 0.74 0.86 -3.47 -0.23 0.00 0.00 178.00 176.48 2d8k n ASP 58 N -4.00 0.43 -0.91 1.44 -0.08 -0.70 -4.76 116.55 107.96 2d8k n ASP 58 Ca -0.02 0.38 0.07 0.00 -1.51 0.00 0.00 54.79 53.71 2d8k n ASP 58 Cb 0.52 -0.56 0.25 0.00 2.34 0.00 0.00 41.12 43.67 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 4.73 2.80 -0.03 -0.67 5.02 -1.26 -4.00 118.16 124.75 2d8k n LYS 59 Ca 0.35 -2.87 -0.03 0.00 -2.02 0.00 0.00 58.31 53.74 2d8k n LYS 59 Cb -0.02 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.14 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 -0.58 0.21 -2.90 1.97 4.81 -1.26 -4.82 118.16 115.59 2d8k n LYS 60 Ca 0.23 0.31 -0.43 0.00 -0.87 0.00 0.00 58.31 57.55 2d8k n LYS 60 Cb 0.91 -1.12 -0.04 0.00 0.02 0.00 0.00 35.03 34.79 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 -1.63 2.81 0.18 5.64 3.76 -1.26 -5.02 115.29 119.77 2d8k s HIS 61 Ca -0.08 -0.21 0.10 0.00 -0.15 0.00 0.00 55.06 54.72 2d8k s HIS 61 Cb 0.01 -4.02 -0.04 0.00 1.11 0.00 0.00 32.58 29.64 2d8k s HIS 61 CO 0.12 -1.35 -0.21 -1.59 -0.85 0.00 0.00 174.74 170.85 2d8k s LYS 62 N 3.74 1.40 0.12 1.40 0.00 -1.26 -4.43 119.74 120.71 2d8k s LYS 62 Ca 0.26 -1.47 0.04 0.00 0.00 0.00 0.00 55.97 54.80 2d8k s LYS 62 Cb -0.15 -1.61 -0.04 0.00 0.00 0.00 0.00 37.83 36.03 2d8k s LYS 62 CO 0.16 0.34 -0.10 -1.17 0.00 0.00 0.00 175.35 174.58 2d8k s LEU 63 N -2.65 2.48 0.23 2.77 2.96 -0.69 -5.03 118.68 118.74 2d8k s LEU 63 Ca 0.18 -0.93 -0.06 0.00 -0.22 0.00 0.00 54.13 53.11 2d8k s LEU 63 Cb -0.07 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.29 2d8k s LEU 63 CO 0.08 -0.31 0.30 -1.61 -1.32 0.00 0.00 176.35 173.49 2d8k s GLU 64 N -3.35 1.40 0.28 1.98 8.01 -1.26 0.15 118.70 125.91 2d8k s GLU 64 Ca 0.12 -1.50 0.08 0.00 0.01 0.00 0.00 54.97 53.67 2d8k s GLU 64 Cb 0.01 0.36 -0.03 0.00 -4.31 0.00 0.00 34.13 30.15 2d8k s GLU 64 CO -0.00 -0.52 0.19 0.95 0.01 0.00 0.00 175.26 175.89 2d8k s THR 65 N -4.01 3.95 1.04 3.63 -4.23 -0.50 -4.92 115.64 110.60 2d8k s THR 65 Ca 0.32 -1.48 -0.15 0.00 -1.18 0.00 0.00 61.69 59.19 2d8k s THR 65 Cb 0.03 -3.24 0.15 0.00 1.34 0.00 0.00 72.50 70.79 2d8k s THR 65 CO 0.12 -0.29 0.22 0.29 -0.54 0.00 0.00 174.62 174.42 2d8k n LYS 66 N -1.19 -2.16 -3.95 3.99 4.76 -1.26 -4.54 118.16 113.80 2d8k n LYS 66 Ca -0.06 -0.64 -0.30 0.00 -2.87 0.00 0.00 58.31 54.45 2d8k n LYS 66 Cb 0.59 -1.51 -0.16 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.10 1.47 -0.26 -0.18 1.01 -1.26 -4.54 120.40 114.55 2d8k s VAL 67 Ca 0.40 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 2d8k s VAL 67 Cb -0.07 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2d8k s VAL 67 CO 0.41 0.06 0.50 -0.54 0.00 0.00 0.00 175.10 175.53 2d8k s LYS 68 N 1.45 4.07 0.19 2.72 -0.14 -1.24 -5.02 119.74 121.78 2d8k s LYS 68 Ca -0.02 0.31 -0.12 0.00 -1.36 0.00 0.00 55.97 54.77 2d8k s LYS 68 Cb -0.17 -3.64 -0.07 0.00 -1.68 0.00 0.00 37.83 32.26 2d8k s LYS 68 CO -0.07 -0.33 0.56 1.03 -0.76 0.00 0.00 175.35 175.78 2d8k s ARG 69 N 2.23 3.91 -1.20 1.68 1.81 -1.26 -3.70 118.95 122.42 2d8k s ARG 69 Ca 0.21 0.42 -0.03 0.00 -1.72 0.00 0.00 55.73 54.61 2d8k s ARG 69 Cb -0.16 -2.78 0.00 0.00 -0.45 0.00 0.00 34.95 31.57 2d8k s ARG 69 CO 0.09 0.39 1.02 1.63 -0.68 0.00 0.00 175.30 177.75 2d8k n LYS 70 N 0.33 -6.81 -3.64 3.54 4.76 -1.23 -4.99 118.16 110.13 2d8k n LYS 70 Ca -0.02 0.81 -0.06 0.00 -2.87 0.00 0.00 58.31 56.17 2d8k n LYS 70 Cb 0.52 -5.74 -0.07 0.00 -1.84 0.00 0.00 35.03 27.90 2d8k n LYS 70 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2d8k s ASN 71 N -3.97 -0.78 -0.08 4.39 3.84 -1.11 -4.94 114.94 112.28 2d8k s ASN 71 Ca 0.19 1.26 0.13 0.00 0.21 0.00 0.00 52.86 54.65 2d8k s ASN 71 Cb -0.08 1.32 -0.19 0.00 -0.55 0.00 0.00 41.25 41.74 2d8k s ASN 71 CO 0.70 -0.20 0.18 0.18 -2.79 0.00 0.00 177.10 175.17 2d8k n LEU 72 N 3.95 0.00 -2.30 3.21 4.77 -1.26 -4.11 117.00 121.26 2d8k n LEU 72 Ca -0.19 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.53 2d8k n LEU 72 Cb 0.58 0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.86 2d8k n LEU 72 CO -0.00 0.17 0.26 0.59 -1.33 0.00 0.00 177.39 177.08 2d8k n ASN 73 N -2.26 4.97 -4.71 -1.43 3.02 -1.26 -4.25 115.26 109.33 2d8k n ASN 73 Ca -0.13 -3.74 -0.30 0.00 -0.03 0.00 0.00 54.58 50.39 2d8k n ASN 73 Cb 0.67 -0.44 0.14 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.17 -0.17 3.52 0.04 -1.26 -4.71 135.00 130.00 2d8k s PRO 74 Ca 0.50 0.79 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 2d8k s PRO 74 Cb 0.41 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 33.19 2d8k s PRO 74 CO -0.10 -2.29 -0.07 -3.38 0.04 0.00 0.00 177.00 171.20 2d8k s HIS 75 N -2.94 1.90 -0.15 0.56 -3.43 -1.26 -2.15 115.29 107.83 2d8k s HIS 75 Ca 0.64 -1.20 -0.16 0.00 -0.80 0.00 0.00 55.06 53.54 2d8k s HIS 75 Cb -0.18 -1.41 -0.13 0.00 -1.43 0.00 0.00 32.58 29.43 2d8k s HIS 75 CO 0.57 -0.64 0.24 -1.49 -2.00 0.00 0.00 174.74 171.41 2d8k h TRP 76 N 8.08 0.00 -4.52 0.38 6.55 -1.62 -3.48 115.95 121.34 2d8k h TRP 76 Ca -0.27 0.00 -0.34 0.00 0.95 0.00 0.00 58.89 59.24 2d8k h TRP 76 Cb 1.11 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.39 2d8k h TRP 76 CO 0.47 0.67 -0.48 0.09 -1.05 0.00 0.00 178.44 178.14 2d8k n ASN 77 N -4.61 -4.40 -4.91 -3.49 4.13 0.13 -4.95 115.26 97.18 2d8k n ASN 77 Ca -0.13 -0.13 -0.28 0.00 1.68 0.00 0.00 54.58 55.72 2d8k n ASN 77 Cb 0.37 -3.65 0.06 0.00 -1.54 0.00 0.00 39.78 35.02 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2d8k s GLU 78 N -5.54 2.51 -0.20 3.52 2.02 -1.26 -4.85 118.70 114.91 2d8k s GLU 78 Ca 0.21 0.09 -0.02 0.00 0.02 0.00 0.00 54.97 55.27 2d8k s GLU 78 Cb -0.11 -2.10 0.06 0.00 0.10 0.00 0.00 34.13 32.08 2d8k s GLU 78 CO 0.26 -1.13 0.02 0.99 0.02 0.00 0.00 175.26 175.42 2d8k s THR 79 N -3.29 0.74 0.44 3.63 2.01 -1.26 -3.22 115.64 114.69 2d8k s THR 79 Ca 0.58 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.93 2d8k s THR 79 Cb -0.11 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.22 2d8k s THR 79 CO 0.48 -0.18 0.63 -0.36 -0.69 0.00 0.00 174.62 174.49 2d8k s PHE 80 N 1.76 2.97 -0.15 4.92 0.08 -1.23 -4.99 117.98 121.33 2d8k s PHE 80 Ca -0.02 -0.13 -0.06 0.00 0.12 0.00 0.00 56.93 56.84 2d8k s PHE 80 Cb -0.17 -2.39 0.07 0.00 -0.57 0.00 0.00 43.02 39.96 2d8k s PHE 80 CO -0.08 -0.45 0.32 -0.51 -0.10 0.00 0.00 175.22 174.40 2d8k s LEU 81 N -4.47 -0.38 -0.46 -0.37 1.43 -1.26 -3.80 118.68 109.38 2d8k s LEU 81 Ca 0.52 0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 54.26 2d8k s LEU 81 Cb -0.10 0.93 0.11 0.00 0.03 0.00 0.00 46.19 47.16 2d8k s LEU 81 CO 0.35 -0.23 0.32 -0.36 0.23 0.00 0.00 176.35 176.66 2d8k s PHE 82 N 2.40 3.39 0.06 0.29 0.08 -0.99 -4.93 117.98 118.28 2d8k s PHE 82 Ca -0.00 -1.72 -0.07 0.00 0.12 0.00 0.00 56.93 55.25 2d8k s PHE 82 Cb -0.12 -3.32 -0.05 0.00 -0.57 0.00 0.00 43.02 38.96 2d8k s PHE 82 CO -0.10 -0.94 0.33 -1.21 -0.10 0.00 0.00 175.22 173.20 2d8k s GLU 83 N 1.40 3.65 0.00 0.44 2.02 -1.26 -2.97 118.70 121.98 2d8k s GLU 83 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.04 2d8k s GLU 83 Cb -0.25 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 30.97 2d8k s GLU 83 CO 0.00 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.28 2d8k n GLY 84 N 0.82 1.65 2.65 -1.39 0.00 -1.26 -5.09 105.19 102.57 2d8k n GLY 84 Ca -0.08 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 0.03 0.42 1.61 0.40 -1.26 -5.11 117.98 112.07 2d8k s PHE 85 Ca 0.00 -0.29 -0.24 0.00 -0.60 0.00 0.00 56.93 55.80 2d8k s PHE 85 Cb 0.00 -0.63 -0.08 0.00 0.51 0.00 0.00 43.02 42.82 2d8k s PHE 85 CO 0.00 -0.65 1.18 -1.25 0.70 0.00 0.00 175.22 175.19 2d8k s PRO 86 N 2.20 3.92 0.15 0.24 0.04 -1.26 -4.63 135.00 135.67 2d8k s PRO 86 Ca 0.06 1.84 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 2d8k s PRO 86 Cb -0.16 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 2d8k s PRO 86 CO -0.19 -0.43 1.56 -0.92 0.04 0.00 0.00 177.00 177.06 2d8k h TYR 87 N 2.40 -1.44 -1.00 0.56 3.20 -1.93 0.71 116.97 119.46 2d8k h TYR 87 Ca -0.49 0.08 0.29 0.00 3.14 0.00 0.00 58.73 61.75 2d8k h TYR 87 Cb 1.24 0.70 -0.04 0.00 1.54 0.00 0.00 36.73 40.17 2d8k h TYR 87 CO 0.54 -0.45 1.16 1.05 -1.64 0.00 0.00 178.16 178.82 2d8k h GLU 88 N -0.29 0.00 0.00 1.82 4.11 -2.01 -0.45 114.58 117.77 2d8k h GLU 88 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2d8k h GLU 88 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2d8k h GLU 88 CO -0.66 0.00 -0.86 1.63 0.07 0.00 0.00 179.01 179.19 2d8k n LYS 89 N -3.30 0.46 -0.53 1.06 5.02 0.21 -4.25 118.16 116.82 2d8k n LYS 89 Ca 0.22 0.19 0.43 0.00 -2.02 0.00 0.00 58.31 57.13 2d8k n LYS 89 Cb 1.46 -1.31 0.66 0.00 -0.02 0.00 0.00 35.03 35.83 2d8k n LYS 89 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2d8k n VAL 90 N -4.20 0.00 -0.05 -0.18 3.14 0.11 0.20 118.33 117.35 2d8k n VAL 90 Ca -0.12 1.33 -0.15 0.00 -2.96 0.00 0.00 64.34 62.45 2d8k n VAL 90 Cb 0.45 -2.27 -0.07 0.00 -1.06 0.00 0.00 33.84 30.89 2d8k n VAL 90 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 2d8k h VAL 91 N 0.00 1.36 0.00 1.55 -1.51 -1.33 -2.93 116.25 113.39 2d8k h VAL 91 Ca 0.76 -1.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 2d8k h VAL 91 Cb 3.32 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 34.50 2d8k h VAL 91 CO -0.01 0.48 0.00 0.00 -1.23 0.00 0.00 177.57 176.82 2d8k n GLN 92 N -4.35 0.07 -2.90 5.19 6.02 0.54 -2.87 117.38 119.07 2d8k n GLN 92 Ca -0.07 0.46 -0.25 0.00 -0.01 0.00 0.00 57.00 57.13 2d8k n GLN 92 Cb 0.50 -1.67 0.01 0.00 1.02 0.00 0.00 30.24 30.09 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 -3.18 3.26 -0.05 -1.09 1.81 -1.06 -4.84 118.95 113.80 2d8k s ARG 93 Ca 0.02 -0.21 0.04 0.00 -1.72 0.00 0.00 55.73 53.86 2d8k s ARG 93 Cb 0.05 -2.49 -0.00 0.00 -0.45 0.00 0.00 34.95 32.06 2d8k s ARG 93 CO 0.18 -0.22 -0.19 0.42 -0.68 0.00 0.00 175.30 174.81 2d8k s ILE 94 N -2.61 1.59 -0.27 1.52 1.01 -0.94 -2.62 121.20 118.88 2d8k s ILE 94 Ca 0.47 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 2d8k s ILE 94 Cb -0.10 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 2d8k s ILE 94 CO 0.40 0.45 1.40 -0.22 0.00 0.00 0.00 174.94 176.98 2d8k s LEU 95 N 0.09 3.89 -0.28 2.97 2.96 0.47 -3.01 118.68 125.76 2d8k s LEU 95 Ca -0.06 1.35 -0.06 0.00 -0.22 0.00 0.00 54.13 55.13 2d8k s LEU 95 Cb -0.13 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.02 2d8k s LEU 95 CO 0.03 -1.13 0.06 -0.47 -1.32 0.00 0.00 176.35 173.52 2d8k s TYR 96 N 4.63 3.12 -0.18 5.38 5.04 -0.60 -2.61 117.35 132.13 2d8k s TYR 96 Ca 0.61 -0.92 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 2d8k s TYR 96 Cb -0.19 -2.23 0.03 0.00 0.35 0.00 0.00 41.96 39.92 2d8k s TYR 96 CO 0.25 -0.55 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.26 2d8k s LEU 97 N 1.51 2.04 -0.26 6.97 1.43 -1.08 -1.11 118.68 128.18 2d8k s LEU 97 Ca 0.03 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 2d8k s LEU 97 Cb -0.17 -1.26 0.06 0.00 0.03 0.00 0.00 46.19 44.85 2d8k s LEU 97 CO 0.02 -0.08 -0.10 -1.58 0.23 0.00 0.00 176.35 174.83 2d8k s GLN 98 N 1.41 2.33 -0.63 1.70 0.74 -0.81 -0.51 119.66 123.88 2d8k s GLN 98 Ca 0.02 -1.30 -0.22 0.00 0.05 0.00 0.00 55.36 53.92 2d8k s GLN 98 Cb -0.14 -2.91 0.07 0.00 1.10 0.00 0.00 33.01 31.13 2d8k s GLN 98 CO -0.10 -0.55 0.89 0.08 -0.55 0.00 0.00 175.29 175.06 2d8k s VAL 99 N 1.14 4.46 0.27 1.34 1.01 -0.50 -1.64 120.40 126.48 2d8k s VAL 99 Ca -0.07 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2d8k s VAL 99 Cb -0.19 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 2d8k s VAL 99 CO -0.05 -1.33 0.13 -1.48 0.00 0.00 0.00 175.10 172.37 2d8k s LEU 100 N 3.71 1.60 0.02 3.92 2.34 -0.42 -3.12 118.68 126.72 2d8k s LEU 100 Ca 0.20 -1.46 -0.01 0.00 0.06 0.00 0.00 54.13 52.93 2d8k s LEU 100 Cb -0.18 0.13 -0.04 0.00 -0.56 0.00 0.00 46.19 45.54 2d8k s LEU 100 CO 0.10 -0.81 0.14 -0.62 -1.06 0.00 0.00 176.35 174.11 2d8k s ASP 101 N -3.33 6.04 0.10 1.48 -1.08 -1.24 0.07 116.67 118.72 2d8k s ASP 101 Ca 0.37 0.22 -0.30 0.00 -0.52 0.00 0.00 52.55 52.32 2d8k s ASP 101 Cb 0.07 -1.80 -0.06 0.00 -1.46 0.00 0.00 42.92 39.66 2d8k s ASP 101 CO 0.15 0.23 0.97 -0.47 0.52 0.00 0.00 175.17 176.57 2d8k s TYR 102 N -1.33 3.79 -0.02 -5.34 6.14 -1.17 -4.16 117.35 115.26 2d8k s TYR 102 Ca 0.28 1.78 0.05 0.00 0.64 0.00 0.00 57.07 59.82 2d8k s TYR 102 Cb -0.12 -3.07 -0.01 0.00 0.42 0.00 0.00 41.96 39.18 2d8k s TYR 102 CO 0.20 0.15 -0.16 0.34 0.64 0.00 0.00 175.55 176.72 2d8k s ASP 103 N 0.07 1.88 -0.08 4.32 -1.08 -1.26 -4.91 116.67 115.62 2d8k s ASP 103 Ca 0.47 -0.29 -0.07 0.00 -0.52 0.00 0.00 52.55 52.14 2d8k s ASP 103 Cb -0.23 -0.26 -0.04 0.00 -1.46 0.00 0.00 42.92 40.92 2d8k s ASP 103 CO 0.30 0.19 -0.16 -1.14 0.52 0.00 0.00 175.17 174.87 2d8k n ARG 104 N 2.77 0.26 0.16 4.34 0.63 -1.26 -4.71 116.66 118.84 2d8k n ARG 104 Ca -0.15 0.11 -0.16 0.00 -0.92 0.00 0.00 57.85 56.73 2d8k n ARG 104 Cb 0.54 -0.94 -0.09 0.00 0.45 0.00 0.00 32.46 32.42 2d8k n ARG 104 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 2d8k h PHE 105 N -0.46 -1.43 -6.00 -0.14 0.04 -2.06 -3.44 116.94 103.46 2d8k h PHE 105 Ca -0.18 0.03 -0.52 0.00 2.80 0.00 0.00 57.97 60.10 2d8k h PHE 105 Cb 0.91 0.59 -0.02 0.00 2.20 0.00 0.00 35.95 39.64 2d8k h PHE 105 CO -0.11 -0.59 -0.19 0.45 -0.60 0.00 0.00 178.31 177.26 2d8k n SER 106 N -5.34 2.44 -4.10 2.17 2.88 -1.26 -5.11 113.62 105.30 2d8k n SER 106 Ca -0.09 -2.68 -0.29 0.00 -1.33 0.00 0.00 58.87 54.48 2d8k n SER 106 Cb 0.41 -0.16 0.27 0.00 -0.75 0.00 0.00 64.21 63.97 2d8k n SER 106 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2d8k s ARG 107 N -4.26 -1.76 0.33 -1.46 3.00 -1.26 -4.76 118.95 108.78 2d8k s ARG 107 Ca 0.39 0.55 -0.28 0.00 0.00 0.00 0.00 55.73 56.38 2d8k s ARG 107 Cb -0.03 -1.48 -0.10 0.00 0.00 0.00 0.00 34.95 33.34 2d8k s ARG 107 CO 0.25 -4.21 1.21 -0.80 0.00 0.00 0.00 175.30 171.75 2d8k s ASN 108 N -2.76 6.90 -0.56 0.23 -0.87 -1.26 -4.72 114.94 111.89 2d8k s ASN 108 Ca 0.69 2.48 -0.01 0.00 -1.57 0.00 0.00 52.86 54.44 2d8k s ASN 108 Cb -0.21 -2.64 0.15 0.00 -0.02 0.00 0.00 41.25 38.53 2d8k s ASN 108 CO 0.62 -0.42 0.36 1.51 -2.57 0.00 0.00 177.10 176.60 2d8k s ASP 109 N -0.74 5.07 0.26 -1.22 1.47 -1.26 -5.05 116.67 115.20 2d8k s ASP 109 Ca 0.49 -2.73 -0.30 0.00 1.18 0.00 0.00 52.55 51.19 2d8k s ASP 109 Cb -0.35 -1.81 -0.09 0.00 -0.34 0.00 0.00 42.92 40.32 2d8k s ASP 109 CO 0.46 -0.37 1.26 -2.16 0.68 0.00 0.00 175.17 175.04 2d8k s PRO 110 N 0.12 4.43 -0.27 2.11 0.04 -1.26 -3.73 135.00 136.43 2d8k s PRO 110 Ca 0.15 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 2d8k s PRO 110 Cb -0.21 -3.15 -0.13 0.00 0.04 0.00 0.00 34.50 31.04 2d8k s PRO 110 CO -0.03 -0.14 -0.31 -0.89 0.04 0.00 0.00 177.00 175.67 2d8k n ILE 111 N 1.76 1.53 -3.66 0.56 5.41 -1.24 -4.59 119.36 119.13 2d8k n ILE 111 Ca 0.03 -0.37 -0.06 0.00 1.00 0.00 0.00 62.75 63.35 2d8k n ILE 111 Cb 0.43 -1.87 -0.02 0.00 -0.71 0.00 0.00 39.64 37.47 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 -5.50 -0.32 0.01 7.39 0.00 -1.18 -3.58 107.32 104.13 2d8k s GLY 112 Ca -0.38 0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.59 2d8k s GLY 112 CO 0.50 0.12 0.41 -1.83 0.00 0.00 0.00 173.10 172.30 2d8k s GLU 113 N -3.26 0.84 0.13 2.90 4.04 -1.07 -1.40 118.70 120.89 2d8k s GLU 113 Ca 0.09 -0.22 0.08 0.00 0.04 0.00 0.00 54.97 54.97 2d8k s GLU 113 Cb -0.01 0.38 -0.04 0.00 0.02 0.00 0.00 34.13 34.48 2d8k s GLU 113 CO -0.02 -0.27 -0.20 0.08 -1.84 0.00 0.00 175.26 173.01 2d8k s VAL 114 N -1.87 1.78 -0.16 1.83 1.01 0.33 -3.16 120.40 120.16 2d8k s VAL 114 Ca -0.09 -1.73 -0.02 0.00 0.00 0.00 0.00 61.98 60.14 2d8k s VAL 114 Cb -0.02 -1.71 0.05 0.00 0.00 0.00 0.00 36.38 34.70 2d8k s VAL 114 CO 0.02 -0.18 0.02 -0.94 0.00 0.00 0.00 175.10 174.02 2d8k s SER 115 N -2.27 2.56 -0.03 3.32 1.04 -1.26 -2.65 113.70 114.40 2d8k s SER 115 Ca 0.11 -0.61 -0.00 0.00 0.48 0.00 0.00 55.95 55.93 2d8k s SER 115 Cb -0.08 -0.60 0.03 0.00 0.10 0.00 0.00 66.02 65.47 2d8k s SER 115 CO 0.05 -0.26 0.02 -0.63 0.98 0.00 0.00 173.24 173.41 2d8k s ILE 116 N 1.86 0.03 0.30 -1.02 1.01 -1.07 -5.01 121.20 117.29 2d8k s ILE 116 Ca 0.01 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.58 2d8k s ILE 116 Cb -0.16 -0.18 -0.10 0.00 0.01 0.00 0.00 42.46 42.04 2d8k s ILE 116 CO -0.07 0.13 1.24 -2.16 0.00 0.00 0.00 174.94 174.08 2d8k s PRO 117 N 1.31 4.46 0.07 2.79 0.04 -1.26 -0.40 135.00 142.01 2d8k s PRO 117 Ca -0.06 2.05 0.27 0.00 0.04 0.00 0.00 61.00 63.31 2d8k s PRO 117 Cb -0.13 -3.13 0.99 0.00 0.04 0.00 0.00 34.50 32.27 2d8k s PRO 117 CO -0.03 -0.06 1.79 1.28 0.04 0.00 0.00 177.00 180.03 2d8k n LEU 118 N 1.19 0.32 0.19 -3.56 4.77 -1.08 -3.26 117.00 115.57 2d8k n LEU 118 Ca 0.00 0.45 0.08 0.00 -0.03 0.00 0.00 56.01 56.51 2d8k n LEU 118 Cb 0.43 -0.40 0.20 0.00 -2.33 0.00 0.00 43.42 41.32 2d8k n LEU 118 CO 0.57 -0.04 0.68 -1.13 -1.33 0.00 0.00 177.39 176.14 2d8k h ASN 119 N 0.00 0.00 0.09 -1.43 -0.73 -1.74 -3.30 115.58 108.47 2d8k h ASN 119 Ca 0.00 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 57.95 2d8k h ASN 119 Cb 0.58 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.17 2d8k h ASN 119 CO 0.00 0.26 -1.12 0.11 -0.37 0.00 0.00 177.43 176.30 2d8k h LYS 120 N 0.00 0.19 -6.42 6.67 1.79 -1.88 -3.46 116.57 113.47 2d8k h LYS 120 Ca -0.00 -0.32 -0.54 0.00 -2.18 0.00 0.00 60.65 57.61 2d8k h LYS 120 Cb 1.08 0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.86 2d8k h LYS 120 CO 0.03 1.15 0.92 0.54 -1.08 0.00 0.00 179.45 181.01 2d8k s VAL 121 N -2.42 3.34 -0.94 0.50 0.11 -1.24 -4.86 120.40 114.89 2d8k s VAL 121 Ca -0.20 0.77 -0.26 0.00 -2.93 0.00 0.00 61.98 59.36 2d8k s VAL 121 Cb 0.03 -3.49 -0.22 0.00 -1.53 0.00 0.00 36.38 31.17 2d8k s VAL 121 CO 0.74 0.00 1.99 0.47 -3.33 0.00 0.00 175.10 174.97 2d8k n ASP 122 N 5.42 1.77 -0.30 3.54 8.00 -1.26 -4.70 116.55 129.02 2d8k n ASP 122 Ca 0.14 -2.55 0.20 0.00 0.71 0.00 0.00 54.79 53.29 2d8k n ASP 122 Cb 0.42 -1.53 0.48 0.00 -0.02 0.00 0.00 41.12 40.47 2d8k n ASP 122 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2d8k h LEU 123 N 20.33 0.49 -1.72 0.64 3.38 -1.88 -0.89 115.31 135.65 2d8k h LEU 123 Ca 0.11 0.07 0.50 0.00 0.09 0.00 0.00 57.88 58.66 2d8k h LEU 123 Cb 0.92 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 2d8k h LEU 123 CO 1.26 0.14 1.24 1.07 0.09 0.00 0.00 178.44 182.24 2d8k n THR 124 N -4.61 -0.01 -3.97 0.22 5.66 -1.26 -3.18 114.28 107.14 2d8k n THR 124 Ca 0.23 1.32 -0.09 0.00 -3.05 0.00 0.00 64.05 62.46 2d8k n THR 124 Cb 0.77 -2.20 -0.10 0.00 -1.55 0.00 0.00 70.33 67.25 2d8k n THR 124 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2d8k s GLN 125 N -4.64 0.45 0.29 1.09 -2.07 -0.34 -4.96 119.66 109.48 2d8k s GLN 125 Ca -0.04 -0.70 -0.30 0.00 -1.82 0.00 0.00 55.36 52.50 2d8k s GLN 125 Cb 0.24 0.17 -0.11 0.00 -1.09 0.00 0.00 33.01 32.21 2d8k s GLN 125 CO 0.78 -0.09 1.55 1.41 -1.32 0.00 0.00 175.29 177.62 2d8k s MET 126 N -2.07 4.16 -0.05 9.60 -2.45 -1.26 -4.70 119.30 122.52 2d8k s MET 126 Ca -0.10 2.51 -0.02 0.00 -1.25 0.00 0.00 55.69 56.83 2d8k s MET 126 Cb -0.05 -3.04 0.04 0.00 1.25 0.00 0.00 34.83 33.03 2d8k s MET 126 CO -0.03 -0.57 0.11 -0.65 1.05 0.00 0.00 175.02 174.93 2d8k s GLN 127 N -0.60 0.05 -0.01 4.11 -0.21 -0.75 -4.98 119.66 117.27 2d8k s GLN 127 Ca 0.61 0.33 -0.16 0.00 0.02 0.00 0.00 55.36 56.16 2d8k s GLN 127 Cb -0.46 -0.21 -0.06 0.00 1.00 0.00 0.00 33.01 33.28 2d8k s GLN 127 CO 0.48 -0.18 0.44 0.99 -2.12 0.00 0.00 175.29 174.90 2d8k s THR 128 N 1.23 5.01 -0.04 -0.19 2.01 -1.26 -1.38 115.64 121.01 2d8k s THR 128 Ca -0.08 0.91 0.06 0.00 0.31 0.00 0.00 61.69 62.89 2d8k s THR 128 Cb -0.12 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 2d8k s THR 128 CO -0.05 0.53 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.83 2d8k s PHE 129 N -0.76 2.11 -0.31 4.92 0.08 -1.07 -5.02 117.98 117.93 2d8k s PHE 129 Ca 0.25 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.77 2d8k s PHE 129 Cb -0.17 -1.39 0.09 0.00 -0.57 0.00 0.00 43.02 40.98 2d8k s PHE 129 CO 0.14 -0.15 0.00 -1.58 -0.10 0.00 0.00 175.22 173.53 2d8k s TRP 130 N -0.21 3.43 0.27 0.36 0.52 -1.26 -3.33 118.94 118.72 2d8k s TRP 130 Ca -0.00 -2.67 0.08 0.00 0.02 0.00 0.00 56.10 53.53 2d8k s TRP 130 Cb -0.12 -2.49 -0.06 0.00 -1.15 0.00 0.00 33.47 29.66 2d8k s TRP 130 CO 0.02 -0.92 -0.10 0.15 0.02 0.00 0.00 176.95 176.12 2d8k s LYS 131 N 1.03 1.55 -0.34 4.98 -0.14 -1.20 -5.01 119.74 120.61 2d8k s LYS 131 Ca 0.04 -1.76 -0.14 0.00 -1.36 0.00 0.00 55.97 52.75 2d8k s LYS 131 Cb -0.19 -1.30 -0.02 0.00 -1.68 0.00 0.00 37.83 34.64 2d8k s LYS 131 CO -0.08 0.12 0.30 0.16 -0.76 0.00 0.00 175.35 175.09 2d8k s ASP 132 N -3.44 6.12 -0.54 2.83 -4.77 -1.26 -1.67 116.67 113.94 2d8k s ASP 132 Ca 0.28 -0.30 -0.39 0.00 -3.30 0.00 0.00 52.55 48.84 2d8k s ASP 132 Cb 0.01 -2.17 -0.17 0.00 -1.09 0.00 0.00 42.92 39.51 2d8k s ASP 132 CO 0.12 -0.28 2.25 0.18 0.70 0.00 0.00 175.17 178.14 2d8k n LEU 133 N 5.24 1.11 -4.73 2.11 4.77 0.56 -4.87 117.00 121.18 2d8k n LEU 133 Ca -0.11 0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 56.04 2d8k n LEU 133 Cb 0.50 -1.03 0.11 0.00 -2.33 0.00 0.00 43.42 40.67 2d8k n LEU 133 CO 0.38 -0.78 0.71 -0.54 -1.33 0.00 0.00 177.39 175.84 2d8k s LYS 134 N 6.60 1.96 -0.66 3.23 -0.14 -1.19 -4.50 119.74 125.04 2d8k s LYS 134 Ca 1.19 1.40 -0.26 0.00 -1.36 0.00 0.00 55.97 56.94 2d8k s LYS 134 Cb -1.24 -1.85 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 2d8k s LYS 134 CO 0.57 -1.90 1.88 -1.25 -0.76 0.00 0.00 175.35 173.89 2d8k s PRO 135 N -4.56 2.61 0.00 -1.68 0.04 -1.26 -2.58 135.00 127.57 2d8k s PRO 135 Ca 0.66 0.45 0.27 0.00 0.04 0.00 0.00 61.00 62.42 2d8k s PRO 135 Cb -0.21 -4.50 1.54 0.00 0.04 0.00 0.00 34.50 31.36 2d8k s PRO 135 CO 0.53 -2.84 2.00 0.43 0.04 0.00 0.00 177.00 177.15 2d8k n SER 136 N 12.96 0.19 0.00 6.66 7.64 -1.24 -4.91 113.62 134.93 2d8k n SER 136 Ca 0.24 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2d8k n SER 136 Cb 0.51 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2d8k n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8k n GLY 137 N 0.95 2.02 3.69 0.23 0.00 -1.26 -4.97 105.19 105.85 2d8k n GLY 137 Ca 0.20 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2d8k n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8k s PRO 138 N -2.00 0.64 -0.25 1.61 0.04 -1.26 -4.98 135.00 128.80 2d8k s PRO 138 Ca 0.00 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 61.60 2d8k s PRO 138 Cb 0.00 -1.75 0.14 0.00 0.04 0.00 0.00 34.50 32.92 2d8k s PRO 138 CO 0.00 -2.61 0.48 0.45 0.04 0.00 0.00 177.00 175.36 2d8k s SER 139 N -3.44 -0.50 -0.32 6.66 0.15 -1.26 -5.03 113.70 109.96 2d8k s SER 139 Ca 0.65 0.79 -0.40 0.00 0.70 0.00 0.00 55.95 57.68 2d8k s SER 139 Cb -0.18 1.62 -0.15 0.00 -1.71 0.00 0.00 66.02 65.59 2d8k s SER 139 CO 0.57 -0.26 1.84 -1.20 1.20 0.00 0.00 173.24 175.40 2d8k n SER 140 N 5.40 2.18 0.00 5.45 7.64 -1.26 -5.20 113.62 127.83 2d8k n SER 140 Ca -0.05 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2d8k n SER 140 Cb 0.50 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2d8k n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64