#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 -3.34 -4.54 1.61 2.88 -1.26 -4.95 113.62 104.01 2d8k n SER 2 Ca 0.00 -0.93 -0.25 0.00 -1.33 0.00 0.00 58.87 56.36 2d8k n SER 2 Cb 0.00 -3.21 -0.11 0.00 -0.75 0.00 0.00 64.21 60.15 2d8k n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8k s SER 3 N -3.47 3.43 0.00 -3.46 0.01 -1.26 -5.10 113.70 103.85 2d8k s SER 3 Ca 0.60 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2d8k s SER 3 Cb -0.32 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2d8k s SER 3 CO 0.89 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.76 2d8k n GLY 4 N -0.82 3.01 3.36 3.44 0.00 -1.26 -5.16 105.19 107.76 2d8k n GLY 4 Ca -0.05 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.37 -0.03 1.61 0.01 -1.26 -5.17 113.70 108.48 2d8k s SER 5 Ca 0.00 -0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.14 2d8k s SER 5 Cb 0.00 0.52 -0.01 0.00 0.21 0.00 0.00 66.02 66.75 2d8k s SER 5 CO 0.00 -0.89 -0.17 -0.55 0.41 0.00 0.00 173.24 172.05 2d8k s SER 6 N -2.73 2.04 0.18 2.44 0.15 -1.26 -5.15 113.70 109.38 2d8k s SER 6 Ca 0.02 -0.33 0.10 0.00 0.70 0.00 0.00 55.95 56.44 2d8k s SER 6 Cb 0.01 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.80 2d8k s SER 6 CO -0.12 0.16 -0.22 -0.83 1.20 0.00 0.00 173.24 173.43 2d8k s GLY 7 N -0.08 1.58 -0.11 9.45 0.00 -1.26 -5.13 107.32 111.78 2d8k s GLY 7 Ca -0.01 -1.56 -0.16 0.00 0.00 0.00 0.00 44.72 42.99 2d8k s GLY 7 CO 0.01 -1.59 0.39 -0.56 0.00 0.00 0.00 173.10 171.35 2d8k s SER 8 N -2.60 6.62 -0.12 1.64 0.01 -1.26 -5.08 113.70 112.92 2d8k s SER 8 Ca 0.18 0.73 0.03 0.00 1.31 0.00 0.00 55.95 58.20 2d8k s SER 8 Cb -0.07 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.92 2d8k s SER 8 CO 0.08 0.11 -0.22 -0.60 0.41 0.00 0.00 173.24 173.03 2d8k s ARG 9 N 0.17 2.88 -0.11 12.44 3.52 -1.26 -5.12 118.95 131.47 2d8k s ARG 9 Ca 0.22 -0.81 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 2d8k s ARG 9 Cb -0.15 -2.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.95 2d8k s ARG 9 CO 0.09 0.05 -0.13 -1.21 -0.81 0.00 0.00 175.30 173.29 2d8k s GLU 10 N 0.66 3.21 -0.86 5.12 0.41 -1.26 -5.02 118.70 120.95 2d8k s GLU 10 Ca -0.12 -0.68 -0.24 0.00 -0.41 0.00 0.00 54.97 53.53 2d8k s GLU 10 Cb -0.16 -2.59 -0.16 0.00 -1.78 0.00 0.00 34.13 29.43 2d8k s GLU 10 CO 0.02 0.30 1.90 0.09 -0.49 0.00 0.00 175.26 177.09 2d8k n ASN 11 N 3.27 2.47 0.18 -0.19 4.13 -1.26 -4.58 115.26 119.28 2d8k n ASN 11 Ca -0.18 -2.65 0.09 0.00 1.68 0.00 0.00 54.58 53.52 2d8k n ASN 11 Cb 0.53 -1.33 0.11 0.00 -1.54 0.00 0.00 39.78 37.55 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 16.45 0.00 0.00 3.41 3.38 -1.86 -3.36 115.31 133.32 2d8k h LEU 12 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2d8k h LEU 12 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2d8k h LEU 12 CO 1.62 0.15 0.00 0.61 0.09 0.00 0.00 178.44 180.92 2d8k n GLY 13 N 1.15 0.56 3.53 0.83 0.00 -0.51 -4.15 105.19 106.60 2d8k n GLY 13 Ca 0.03 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.50 1.78 -0.05 1.61 1.70 -0.86 -1.32 118.95 120.31 2d8k s ARG 14 Ca 0.00 -1.96 0.02 0.00 -0.47 0.00 0.00 55.73 53.32 2d8k s ARG 14 Cb 0.00 -1.44 0.02 0.00 -0.57 0.00 0.00 34.95 32.96 2d8k s ARG 14 CO 0.00 0.01 -0.07 -1.50 -1.08 0.00 0.00 175.30 172.66 2d8k s ILE 15 N -2.83 0.72 -0.34 4.99 2.07 -0.21 -3.09 121.20 122.51 2d8k s ILE 15 Ca 0.33 -0.25 -0.07 0.00 -1.41 0.00 0.00 60.65 59.26 2d8k s ILE 15 Cb 0.06 -0.70 0.04 0.00 0.13 0.00 0.00 42.46 41.99 2d8k s ILE 15 CO 0.16 0.26 0.11 -1.58 -1.91 0.00 0.00 174.94 171.98 2d8k s GLN 16 N 0.73 2.68 0.12 3.50 0.74 -1.14 -3.07 119.66 123.22 2d8k s GLN 16 Ca -0.11 -1.14 0.04 0.00 0.05 0.00 0.00 55.36 54.20 2d8k s GLN 16 Cb -0.14 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 2d8k s GLN 16 CO 0.01 -0.64 -0.11 -0.59 -0.55 0.00 0.00 175.29 173.41 2d8k s PHE 17 N 1.42 1.18 -0.00 1.67 -0.12 -0.94 -1.58 117.98 119.62 2d8k s PHE 17 Ca -0.01 -0.69 0.08 0.00 -0.05 0.00 0.00 56.93 56.26 2d8k s PHE 17 Cb -0.19 -0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 41.55 2d8k s PHE 17 CO 0.03 0.05 -0.24 -1.12 -0.05 0.00 0.00 175.22 173.89 2d8k s SER 18 N -2.74 3.26 0.00 1.98 0.01 0.66 -0.11 113.70 116.76 2d8k s SER 18 Ca 0.10 -0.46 0.07 0.00 1.31 0.00 0.00 55.95 56.98 2d8k s SER 18 Cb -0.01 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 2d8k s SER 18 CO 0.01 0.30 -0.22 -0.69 0.41 0.00 0.00 173.24 173.05 2d8k s VAL 19 N -0.69 2.43 -0.30 3.43 1.01 -1.12 -2.04 120.40 123.11 2d8k s VAL 19 Ca 0.11 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 2d8k s VAL 19 Cb -0.10 -1.93 0.16 0.00 0.00 0.00 0.00 36.38 34.51 2d8k s VAL 19 CO 0.00 0.48 0.95 -0.83 0.00 0.00 0.00 175.10 175.71 2d8k s GLY 20 N -0.96 -0.21 0.27 4.51 0.00 -1.04 -2.10 107.32 107.79 2d8k s GLY 20 Ca 0.12 3.00 -0.03 0.00 0.00 0.00 0.00 44.72 47.80 2d8k s GLY 20 CO 0.01 3.10 0.51 -0.47 0.00 0.00 0.00 173.10 176.25 2d8k s TYR 21 N 2.29 3.48 -0.24 1.90 5.04 -0.96 -1.44 117.35 127.42 2d8k s TYR 21 Ca -0.04 0.53 0.02 0.00 -2.44 0.00 0.00 57.07 55.13 2d8k s TYR 21 Cb -0.06 -2.01 0.05 0.00 0.35 0.00 0.00 41.96 40.28 2d8k s TYR 21 CO -0.17 0.22 -0.12 1.21 -1.34 0.00 0.00 175.55 175.35 2d8k s ASN 22 N -3.26 4.13 0.29 4.32 2.47 0.17 -4.78 114.94 118.27 2d8k s ASN 22 Ca 0.42 -1.14 0.13 0.00 0.42 0.00 0.00 52.86 52.69 2d8k s ASN 22 Cb -0.11 -1.56 0.39 0.00 -1.45 0.00 0.00 41.25 38.53 2d8k s ASN 22 CO 0.30 -0.14 1.61 -0.26 -3.72 0.00 0.00 177.10 174.90 2d8k h PHE 23 N 7.86 0.00 0.05 0.43 -1.00 -1.95 -0.05 116.94 122.27 2d8k h PHE 23 Ca -0.28 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.52 2d8k h PHE 23 Cb 1.07 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.60 2d8k h PHE 23 CO 0.59 0.56 -0.37 1.96 -1.61 0.00 0.00 178.31 179.44 2d8k h GLN 24 N 0.00 -0.48 -0.46 1.51 1.08 -1.94 -2.89 115.11 111.93 2d8k h GLN 24 Ca -0.01 0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 2d8k h GLN 24 Cb 1.11 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 28.59 2d8k h GLN 24 CO 0.07 -0.32 0.08 0.39 -0.95 0.00 0.00 178.83 178.10 2d8k n GLU 25 N -4.53 3.23 -4.34 1.46 -0.58 -1.25 -4.95 120.64 109.68 2d8k n GLU 25 Ca -0.06 -3.02 -0.33 0.00 -0.42 0.00 0.00 57.16 53.34 2d8k n GLU 25 Cb 0.28 -2.01 -0.09 0.00 -0.57 0.00 0.00 31.44 29.05 2d8k n GLU 25 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2d8k n SER 26 N -0.37 0.45 -4.34 1.62 3.41 -0.19 -4.87 113.62 109.33 2d8k n SER 26 Ca 0.30 -1.26 -0.27 0.00 -0.26 0.00 0.00 58.87 57.38 2d8k n SER 26 Cb 1.11 -1.65 -0.13 0.00 -0.26 0.00 0.00 64.21 63.28 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2d8k s THR 27 N -4.19 2.00 0.23 6.66 2.01 -0.27 -4.39 115.64 117.68 2d8k s THR 27 Ca 0.14 -1.64 -0.01 0.00 0.31 0.00 0.00 61.69 60.49 2d8k s THR 27 Cb -0.08 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 2d8k s THR 27 CO 1.00 0.03 0.43 -0.22 -0.69 0.00 0.00 174.62 175.17 2d8k s LEU 28 N -1.95 4.19 -0.03 4.42 2.96 -1.13 0.41 118.68 127.55 2d8k s LEU 28 Ca 0.10 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2d8k s LEU 28 Cb -0.10 -3.20 0.01 0.00 0.50 0.00 0.00 46.19 43.40 2d8k s LEU 28 CO 0.05 -0.09 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.06 2d8k s THR 29 N -1.96 0.43 -0.15 3.68 2.01 -0.52 -2.32 115.64 116.81 2d8k s THR 29 Ca 0.39 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.25 2d8k s THR 29 Cb -0.11 -0.44 0.04 0.00 0.01 0.00 0.00 72.50 72.01 2d8k s THR 29 CO 0.30 0.17 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.71 2d8k s VAL 30 N 0.56 0.70 -0.20 3.82 1.01 -1.19 -2.48 120.40 122.61 2d8k s VAL 30 Ca -0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2d8k s VAL 30 Cb -0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2d8k s VAL 30 CO -0.00 0.04 -0.03 -0.75 0.00 0.00 0.00 175.10 174.36 2d8k s LYS 31 N 1.81 3.50 -0.68 2.72 2.20 -0.87 -2.48 119.74 125.95 2d8k s LYS 31 Ca 0.01 -0.57 -0.14 0.00 -0.36 0.00 0.00 55.97 54.91 2d8k s LYS 31 Cb -0.15 -3.02 0.17 0.00 -1.51 0.00 0.00 37.83 33.32 2d8k s LYS 31 CO -0.07 -0.06 0.61 0.42 -0.36 0.00 0.00 175.35 175.89 2d8k s ILE 32 N 1.15 5.23 0.00 5.43 -1.09 -1.19 -0.25 121.20 130.48 2d8k s ILE 32 Ca 0.02 -2.08 0.00 0.00 -2.23 0.00 0.00 60.65 56.37 2d8k s ILE 32 Cb -0.15 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 2d8k s ILE 32 CO 0.00 -0.94 0.77 0.23 -1.23 0.00 0.00 174.94 173.77 2d8k n MET 33 N 4.51 0.00 -3.09 2.79 2.81 -0.61 0.16 117.12 123.68 2d8k n MET 33 Ca 0.01 0.67 0.01 0.00 -1.81 0.00 0.00 57.70 56.58 2d8k n MET 33 Cb 0.43 -1.27 0.01 0.00 -0.71 0.00 0.00 33.22 31.68 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 -1.92 0.18 -4.31 0.03 0.00 -1.22 -1.41 118.16 109.51 2d8k n LYS 34 Ca 0.00 -0.58 -0.23 0.00 -0.00 0.00 0.00 58.31 57.49 2d8k n LYS 34 Cb 0.00 0.89 -0.12 0.00 -0.00 0.00 0.00 35.03 35.80 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 -1.62 1.94 0.05 0.58 0.00 -0.78 -2.89 121.76 119.04 2d8k s ALA 35 Ca 0.17 -1.37 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 2d8k s ALA 35 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2d8k s ALA 35 CO 0.01 0.32 0.19 -0.65 0.00 0.00 0.00 175.76 175.63 2d8k s GLN 36 N -2.31 0.72 -1.27 0.00 -1.52 -1.18 -4.06 119.66 110.05 2d8k s GLN 36 Ca 0.11 -0.71 -0.06 0.00 -1.95 0.00 0.00 55.36 52.75 2d8k s GLN 36 Cb -0.08 0.30 0.01 0.00 -0.22 0.00 0.00 33.01 33.01 2d8k s GLN 36 CO 0.05 -0.21 1.10 0.39 -0.25 0.00 0.00 175.29 176.37 2d8k n GLU 37 N 0.52 -7.37 -3.46 2.91 1.02 -1.26 -2.03 120.64 110.97 2d8k n GLU 37 Ca -0.18 0.81 -0.38 0.00 -0.02 0.00 0.00 57.16 57.39 2d8k n GLU 37 Cb 0.60 -5.77 -0.06 0.00 -0.02 0.00 0.00 31.44 26.18 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 -6.86 4.39 0.75 -4.62 1.43 -1.26 -1.42 118.68 111.08 2d8k s LEU 38 Ca 0.41 0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 2d8k s LEU 38 Cb -0.18 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.51 2d8k s LEU 38 CO 0.71 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 176.43 2d8k s PRO 39 N -0.39 2.37 -0.06 1.29 0.04 -1.26 -4.91 135.00 132.09 2d8k s PRO 39 Ca 0.23 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.50 2d8k s PRO 39 Cb -0.16 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2d8k s PRO 39 CO 0.11 -1.56 -0.07 0.00 0.04 0.00 0.00 177.00 175.52 2d8k s ALA 40 N -2.78 2.98 -0.27 8.56 0.00 -1.26 -4.77 121.76 124.22 2d8k s ALA 40 Ca 0.62 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 2d8k s ALA 40 Cb -0.18 -1.21 -0.13 0.00 0.00 0.00 0.00 23.12 21.61 2d8k s ALA 40 CO 0.53 0.58 -0.30 1.63 0.00 0.00 0.00 175.76 178.20 2d8k n LYS 41 N 2.11 0.59 -1.99 0.00 4.76 -1.23 -4.92 118.16 117.48 2d8k n LYS 41 Ca -0.17 0.29 -0.42 0.00 -2.87 0.00 0.00 58.31 55.14 2d8k n LYS 41 Cb 0.53 -1.52 -0.03 0.00 -1.84 0.00 0.00 35.03 32.17 2d8k n LYS 41 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2d8k s ASP 42 N -7.43 6.65 0.52 4.39 2.15 -1.12 -4.85 116.67 116.97 2d8k s ASP 42 Ca -0.38 2.55 0.39 0.00 0.43 0.00 0.00 52.55 55.54 2d8k s ASP 42 Cb 0.14 -2.59 1.56 0.00 -0.30 0.00 0.00 42.92 41.73 2d8k s ASP 42 CO 0.50 -0.78 1.68 -0.26 -0.17 0.00 0.00 175.17 176.15 2d8k h PHE 43 N 6.68 0.16 0.41 -5.34 0.04 -1.92 -0.29 116.94 116.69 2d8k h PHE 43 Ca -0.43 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.34 2d8k h PHE 43 Cb 1.21 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 2d8k h PHE 43 CO 0.65 -0.04 -0.48 1.03 -0.60 0.00 0.00 178.31 178.87 2d8k h SER 44 N 0.05 -1.33 0.00 2.17 0.87 -1.99 -3.47 113.55 109.85 2d8k h SER 44 Ca 0.76 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.43 2d8k h SER 44 Cb 2.82 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 65.23 2d8k h SER 44 CO -0.12 -0.61 0.00 0.61 -0.53 0.00 0.00 176.83 176.18 2d8k n GLY 45 N -1.51 0.02 3.72 5.77 0.00 -0.12 -5.15 105.19 107.91 2d8k n GLY 45 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.03 0.00 0.33 2.61 -1.32 -1.25 -4.92 115.64 111.05 2d8k s THR 46 Ca 0.00 -1.21 -0.18 0.00 -1.21 0.00 0.00 61.69 59.09 2d8k s THR 46 Cb 0.00 -2.10 0.03 0.00 -1.51 0.00 0.00 72.50 68.93 2d8k s THR 46 CO 0.00 -0.00 0.74 -0.55 -2.21 0.00 0.00 174.62 172.60 2d8k s SER 47 N -2.97 -0.12 -0.89 8.08 0.15 -1.26 -2.80 113.70 113.88 2d8k s SER 47 Ca 0.17 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2d8k s SER 47 Cb -0.03 0.78 0.28 0.00 -1.71 0.00 0.00 66.02 65.34 2d8k s SER 47 CO 0.08 -1.49 1.18 -0.90 1.20 0.00 0.00 173.24 173.31 2d8k n ASP 48 N -0.88 5.33 -4.76 5.45 5.75 -1.26 -2.57 116.55 123.60 2d8k n ASP 48 Ca -0.06 -3.43 -0.41 0.00 -0.01 0.00 0.00 54.79 50.88 2d8k n ASP 48 Cb 0.60 -1.02 -0.03 0.00 -1.03 0.00 0.00 41.12 39.64 2d8k n ASP 48 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2d8k s PRO 49 N -2.69 4.46 0.03 0.11 0.04 -1.25 -3.06 135.00 132.63 2d8k s PRO 49 Ca 0.35 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 2d8k s PRO 49 Cb 0.09 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.52 2d8k s PRO 49 CO 0.06 -0.05 0.23 -0.59 0.04 0.00 0.00 177.00 176.69 2d8k s PHE 50 N -1.04 -0.02 -0.09 0.56 -0.71 0.07 -3.83 117.98 112.91 2d8k s PHE 50 Ca 0.48 -0.10 -0.10 0.00 -1.04 0.00 0.00 56.93 56.17 2d8k s PHE 50 Cb -0.37 0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.41 2d8k s PHE 50 CO 0.48 -0.42 0.23 0.08 -1.34 0.00 0.00 175.22 174.25 2d8k s VAL 51 N -2.17 5.35 -0.21 -2.49 1.01 -1.26 -2.56 120.40 118.07 2d8k s VAL 51 Ca -0.08 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2d8k s VAL 51 Cb -0.03 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.89 2d8k s VAL 51 CO -0.01 0.58 -0.08 -0.54 0.00 0.00 0.00 175.10 175.05 2d8k s LYS 52 N -0.88 1.78 0.09 2.72 1.02 -1.00 -0.74 119.74 122.72 2d8k s LYS 52 Ca 0.17 -0.84 -0.21 0.00 0.02 0.00 0.00 55.97 55.11 2d8k s LYS 52 Cb -0.13 -2.41 -0.07 0.00 -0.52 0.00 0.00 37.83 34.69 2d8k s LYS 52 CO 0.06 -0.49 0.61 0.42 -0.92 0.00 0.00 175.35 175.04 2d8k s ILE 53 N 1.44 4.67 -0.09 2.17 1.01 0.27 -2.39 121.20 128.28 2d8k s ILE 53 Ca -0.03 1.32 -0.03 0.00 0.00 0.00 0.00 60.65 61.91 2d8k s ILE 53 Cb -0.17 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.40 2d8k s ILE 53 CO -0.07 0.54 0.16 -0.31 0.00 0.00 0.00 174.94 175.25 2d8k s TYR 54 N -1.05 -0.16 -1.23 3.97 2.02 -0.15 -2.58 117.35 118.16 2d8k s TYR 54 Ca 0.31 0.55 -0.13 0.00 -0.37 0.00 0.00 57.07 57.42 2d8k s TYR 54 Cb -0.20 -0.29 0.17 0.00 -0.40 0.00 0.00 41.96 41.24 2d8k s TYR 54 CO 0.20 -0.29 1.54 1.28 -1.57 0.00 0.00 175.55 176.71 2d8k n LEU 55 N 5.32 5.53 -4.75 -1.29 4.77 -1.26 -1.98 117.00 123.34 2d8k n LEU 55 Ca -0.05 -4.50 -0.35 0.00 -0.03 0.00 0.00 56.01 51.08 2d8k n LEU 55 Cb 0.50 -1.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.04 2d8k n LEU 55 CO 0.05 0.86 0.83 -0.76 -1.33 0.00 0.00 177.39 177.04 2d8k s LEU 56 N 1.22 3.60 0.03 2.23 1.43 -1.16 -2.66 118.68 123.37 2d8k s LEU 56 Ca 0.42 2.35 -0.21 0.00 -1.03 0.00 0.00 54.13 55.67 2d8k s LEU 56 Cb -0.00 -4.59 -0.15 0.00 0.03 0.00 0.00 46.19 41.48 2d8k s LEU 56 CO 0.00 -1.67 1.34 1.55 0.23 0.00 0.00 176.35 177.80 2d8k h PRO 57 N 0.69 0.32 -4.05 1.29 0.13 -1.91 -2.60 132.00 125.88 2d8k h PRO 57 Ca -0.50 -0.17 -0.54 0.00 -0.87 0.00 0.00 66.00 63.92 2d8k h PRO 57 Cb 1.29 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.46 2d8k h PRO 57 CO 0.54 0.72 0.09 -3.47 -0.23 0.00 0.00 178.00 175.65 2d8k n ASP 58 N -4.58 0.08 -0.00 1.44 2.03 -1.09 -4.85 116.55 109.59 2d8k n ASP 58 Ca -0.06 0.78 0.00 0.00 0.52 0.00 0.00 54.79 56.03 2d8k n ASP 58 Cb 0.35 -0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 40.13 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2d8k n LYS 59 N 1.20 1.98 -0.02 -0.67 5.02 -1.26 -4.00 118.16 120.41 2d8k n LYS 59 Ca 0.14 -0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.36 2d8k n LYS 59 Cb 0.04 -0.88 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 2d8k n LYS 59 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2d8k h LYS 60 N 0.00 -0.23 -6.22 1.97 3.64 -1.93 -3.30 116.57 110.50 2d8k h LYS 60 Ca 0.00 0.02 -0.57 0.00 -1.27 0.00 0.00 60.65 58.82 2d8k h LYS 60 Cb 0.03 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.81 2d8k h LYS 60 CO 0.00 -0.15 1.30 -1.01 -2.27 0.00 0.00 179.45 177.32 2d8k s HIS 61 N -4.17 2.42 0.18 1.91 3.76 -1.26 -4.98 115.29 113.15 2d8k s HIS 61 Ca -0.07 -0.49 0.10 0.00 -0.15 0.00 0.00 55.06 54.45 2d8k s HIS 61 Cb 0.03 -4.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.01 2d8k s HIS 61 CO 0.27 -2.00 -0.14 -1.59 -0.85 0.00 0.00 174.74 170.43 2d8k s LYS 62 N 5.31 1.91 0.04 1.40 -2.85 -1.25 -4.49 119.74 119.82 2d8k s LYS 62 Ca 0.41 -1.34 -0.00 0.00 -1.00 0.00 0.00 55.97 54.04 2d8k s LYS 62 Cb -0.04 -2.07 -0.03 0.00 -2.06 0.00 0.00 37.83 33.63 2d8k s LYS 62 CO 0.01 0.42 -0.03 -1.17 0.10 0.00 0.00 175.35 174.68 2d8k s LEU 63 N -2.78 2.39 0.25 2.77 2.96 -1.07 -5.05 118.68 118.15 2d8k s LEU 63 Ca 0.24 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 2d8k s LEU 63 Cb -0.09 0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.74 2d8k s LEU 63 CO 0.14 -0.47 0.41 -1.83 -1.32 0.00 0.00 176.35 173.28 2d8k s GLU 64 N -2.90 1.51 0.37 1.98 1.03 -1.26 0.97 118.70 120.40 2d8k s GLU 64 Ca -0.02 -1.37 0.07 0.00 0.03 0.00 0.00 54.97 53.68 2d8k s GLU 64 Cb 0.01 0.43 -0.00 0.00 -0.80 0.00 0.00 34.13 33.76 2d8k s GLU 64 CO -0.06 -0.61 0.50 0.95 -1.33 0.00 0.00 175.26 174.71 2d8k s THR 65 N -3.96 3.54 0.88 1.83 -4.23 0.08 -4.95 115.64 108.83 2d8k s THR 65 Ca 0.26 -1.02 -0.12 0.00 -1.18 0.00 0.00 61.69 59.63 2d8k s THR 65 Cb 0.01 -3.21 0.10 0.00 1.34 0.00 0.00 72.50 70.74 2d8k s THR 65 CO 0.10 -0.08 1.00 0.29 -0.54 0.00 0.00 174.62 175.40 2d8k n LYS 66 N -1.72 -0.17 -3.26 3.99 4.76 -1.26 -4.59 118.16 115.91 2d8k n LYS 66 Ca 0.03 0.02 -0.45 0.00 -2.87 0.00 0.00 58.31 55.04 2d8k n LYS 66 Cb 0.59 -2.28 -0.05 0.00 -1.84 0.00 0.00 35.03 31.44 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 -2.38 5.08 -0.70 -0.18 1.01 -1.26 -4.66 120.40 117.32 2d8k s VAL 67 Ca 0.67 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 2d8k s VAL 67 Cb -0.25 -4.35 0.04 0.00 0.00 0.00 0.00 36.38 31.81 2d8k s VAL 67 CO 0.57 -0.89 1.21 -0.54 0.00 0.00 0.00 175.10 175.45 2d8k s LYS 68 N 1.97 3.23 0.38 2.72 -0.14 -1.25 -5.01 119.74 121.64 2d8k s LYS 68 Ca 0.06 -0.27 -0.23 0.00 -1.36 0.00 0.00 55.97 54.17 2d8k s LYS 68 Cb -0.27 -4.16 -0.10 0.00 -1.68 0.00 0.00 37.83 31.62 2d8k s LYS 68 CO 0.05 -2.01 0.95 1.03 -0.76 0.00 0.00 175.35 174.61 2d8k s ARG 69 N 5.32 4.37 -1.11 1.68 1.81 -1.26 -3.97 118.95 125.79 2d8k s ARG 69 Ca 0.34 1.24 -0.01 0.00 -1.72 0.00 0.00 55.73 55.58 2d8k s ARG 69 Cb -0.09 -2.47 -0.01 0.00 -0.45 0.00 0.00 34.95 31.93 2d8k s ARG 69 CO 0.16 0.09 0.93 1.63 -0.68 0.00 0.00 175.30 177.42 2d8k n LYS 70 N -0.09 -5.74 -3.62 3.54 4.76 -1.22 -4.99 118.16 110.79 2d8k n LYS 70 Ca 0.05 0.80 -0.02 0.00 -2.87 0.00 0.00 58.31 56.27 2d8k n LYS 70 Cb 0.52 -5.64 -0.06 0.00 -1.84 0.00 0.00 35.03 28.01 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 -4.17 -0.50 -0.14 4.39 3.84 -1.06 -4.93 114.94 112.36 2d8k s ASN 71 Ca 0.05 0.79 0.16 0.00 0.21 0.00 0.00 52.86 54.07 2d8k s ASN 71 Cb -0.01 1.25 -0.23 0.00 -0.55 0.00 0.00 41.25 41.71 2d8k s ASN 71 CO 0.68 -0.12 0.14 0.18 -2.79 0.00 0.00 177.10 175.19 2d8k n LEU 72 N 3.82 0.00 -2.34 3.21 4.77 -1.26 -4.12 117.00 121.08 2d8k n LEU 72 Ca -0.18 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.53 2d8k n LEU 72 Cb 0.57 0.34 0.01 0.00 -2.33 0.00 0.00 43.42 42.01 2d8k n LEU 72 CO 0.02 0.34 0.33 0.59 -1.33 0.00 0.00 177.39 177.34 2d8k n ASN 73 N -2.54 5.10 -4.74 -1.43 3.02 -1.26 -4.29 115.26 109.12 2d8k n ASN 73 Ca -0.23 -3.74 -0.30 0.00 -0.03 0.00 0.00 54.58 50.27 2d8k n ASN 73 Cb 0.95 -0.48 0.12 0.00 -0.61 0.00 0.00 39.78 39.76 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 -3.61 1.70 -0.17 3.52 0.04 -1.26 -4.63 135.00 130.60 2d8k s PRO 74 Ca 0.50 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.52 2d8k s PRO 74 Cb 0.41 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 33.13 2d8k s PRO 74 CO -0.12 -1.97 -0.15 -3.38 0.04 0.00 0.00 177.00 171.42 2d8k s HIS 75 N -2.92 2.45 -0.12 0.56 -3.43 -1.26 -1.87 115.29 108.70 2d8k s HIS 75 Ca 0.62 -1.47 -0.08 0.00 -0.80 0.00 0.00 55.06 53.34 2d8k s HIS 75 Cb -0.18 -1.72 -0.26 0.00 -1.43 0.00 0.00 32.58 28.99 2d8k s HIS 75 CO 0.56 -0.74 0.38 -1.49 -2.00 0.00 0.00 174.74 171.46 2d8k h TRP 76 N 7.99 0.47 -4.71 0.38 6.55 -1.59 -3.47 115.95 121.57 2d8k h TRP 76 Ca -0.38 -0.35 -0.15 0.00 0.95 0.00 0.00 58.89 58.96 2d8k h TRP 76 Cb 1.13 -0.02 -0.09 0.00 -0.86 0.00 0.00 29.16 29.31 2d8k h TRP 76 CO 0.48 1.77 -0.22 -1.71 -1.05 0.00 0.00 178.44 177.71 2d8k n ASN 77 N -3.55 -0.96 -4.90 -3.49 5.15 0.42 -4.84 115.26 103.09 2d8k n ASN 77 Ca -0.31 -0.04 -0.29 0.00 -0.60 0.00 0.00 54.58 53.34 2d8k n ASN 77 Cb 1.03 -0.90 0.06 0.00 -0.53 0.00 0.00 39.78 39.44 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2d8k s GLU 78 N -4.40 2.45 -0.20 1.20 2.02 -1.25 -4.82 118.70 113.71 2d8k s GLU 78 Ca 0.20 0.17 -0.02 0.00 0.02 0.00 0.00 54.97 55.34 2d8k s GLU 78 Cb -0.12 -2.05 0.06 0.00 0.10 0.00 0.00 34.13 32.12 2d8k s GLU 78 CO 0.25 -1.22 0.01 0.99 0.02 0.00 0.00 175.26 175.30 2d8k s THR 79 N -3.37 0.79 0.33 3.63 2.01 -1.26 -3.16 115.64 114.60 2d8k s THR 79 Ca 0.59 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.97 2d8k s THR 79 Cb -0.11 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 2d8k s THR 79 CO 0.49 -0.14 0.47 -0.36 -0.69 0.00 0.00 174.62 174.39 2d8k s PHE 80 N 1.74 3.15 -0.13 4.92 0.08 -1.03 -4.97 117.98 121.74 2d8k s PHE 80 Ca -0.02 -0.18 -0.05 0.00 0.12 0.00 0.00 56.93 56.80 2d8k s PHE 80 Cb -0.17 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.37 2d8k s PHE 80 CO -0.07 0.02 0.28 -0.51 -0.10 0.00 0.00 175.22 174.83 2d8k s LEU 81 N -4.17 -0.14 -0.45 -0.37 1.43 -1.26 -3.17 118.68 110.54 2d8k s LEU 81 Ca 0.44 0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 54.08 2d8k s LEU 81 Cb -0.09 0.80 0.11 0.00 0.03 0.00 0.00 46.19 47.04 2d8k s LEU 81 CO 0.31 -0.22 0.31 -0.36 0.23 0.00 0.00 176.35 176.62 2d8k s PHE 82 N 2.09 3.41 0.01 0.29 0.08 -0.98 -4.95 117.98 117.94 2d8k s PHE 82 Ca -0.02 -1.83 -0.09 0.00 0.12 0.00 0.00 56.93 55.12 2d8k s PHE 82 Cb -0.11 -3.32 -0.05 0.00 -0.57 0.00 0.00 43.02 38.96 2d8k s PHE 82 CO -0.09 -0.95 0.31 -1.21 -0.10 0.00 0.00 175.22 173.17 2d8k s GLU 83 N 1.36 3.66 0.00 0.44 2.02 -1.26 -2.83 118.70 122.08 2d8k s GLU 83 Ca 0.05 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2d8k s GLU 83 Cb -0.25 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2d8k s GLU 83 CO -0.00 0.65 0.00 0.41 0.02 0.00 0.00 175.26 176.34 2d8k n GLY 84 N 1.28 0.98 2.92 -1.39 0.00 -1.26 -5.08 105.19 102.64 2d8k n GLY 84 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 2.34 0.41 1.61 0.40 -1.26 -5.12 117.98 114.36 2d8k s PHE 85 Ca 0.00 -1.75 -0.25 0.00 -0.60 0.00 0.00 56.93 54.33 2d8k s PHE 85 Cb 0.00 -1.60 -0.08 0.00 0.51 0.00 0.00 43.02 41.85 2d8k s PHE 85 CO 0.00 -0.78 1.19 -1.25 0.70 0.00 0.00 175.22 175.08 2d8k s PRO 86 N 1.41 4.01 0.16 0.24 0.04 -1.26 -4.66 135.00 134.94 2d8k s PRO 86 Ca -0.04 1.87 -0.26 0.00 0.04 0.00 0.00 61.00 62.61 2d8k s PRO 86 Cb -0.19 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.72 2d8k s PRO 86 CO -0.07 -0.37 1.57 -0.92 0.04 0.00 0.00 177.00 177.25 2d8k h TYR 87 N 2.57 -1.28 -0.94 0.56 5.03 -1.96 0.70 116.97 121.65 2d8k h TYR 87 Ca -0.49 0.08 0.27 0.00 2.58 0.00 0.00 58.73 61.17 2d8k h TYR 87 Cb 1.24 0.63 -0.04 0.00 1.55 0.00 0.00 36.73 40.11 2d8k h TYR 87 CO 0.55 -0.43 1.07 1.05 -1.32 0.00 0.00 178.16 179.07 2d8k h GLU 88 N -0.26 0.00 0.00 1.82 4.11 -2.01 -0.51 114.58 117.73 2d8k h GLU 88 Ca 0.16 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.50 2d8k h GLU 88 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2d8k h GLU 88 CO -0.65 0.00 -1.17 1.63 0.07 0.00 0.00 179.01 178.89 2d8k n LYS 89 N -3.37 0.53 -0.37 1.06 5.02 0.21 -4.26 118.16 116.97 2d8k n LYS 89 Ca 0.21 0.31 0.34 0.00 -2.02 0.00 0.00 58.31 57.15 2d8k n LYS 89 Cb 1.36 -1.52 0.62 0.00 -0.02 0.00 0.00 35.03 35.47 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 0.02 -0.88 -0.18 3.04 0.70 1.41 116.25 119.35 2d8k h VAL 90 Ca -0.14 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.52 2d8k h VAL 90 Cb 1.02 -0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 30.25 2d8k h VAL 90 CO -0.08 0.00 0.47 -0.37 -1.01 0.00 0.00 177.57 176.58 2d8k h VAL 91 N 0.02 1.26 0.00 1.51 -1.51 -1.36 -1.21 116.25 114.95 2d8k h VAL 91 Ca 0.85 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 2d8k h VAL 91 Cb 2.42 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2d8k h VAL 91 CO -0.66 0.30 0.00 1.56 -1.23 0.00 0.00 177.57 177.54 2d8k h GLN 92 N 1.24 0.00 -7.34 5.19 4.20 0.17 -3.12 115.11 115.45 2d8k h GLN 92 Ca 0.31 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.56 2d8k h GLN 92 Cb 0.05 0.00 0.11 0.00 0.30 0.00 0.00 27.48 27.94 2d8k h GLN 92 CO -0.05 0.00 0.21 1.03 -0.67 0.00 0.00 178.83 179.35 2d8k s ARG 93 N -3.55 1.29 -0.01 1.46 1.81 -0.46 -4.84 118.95 114.64 2d8k s ARG 93 Ca 0.00 -0.95 0.00 0.00 -1.72 0.00 0.00 55.73 53.06 2d8k s ARG 93 Cb 0.09 -2.18 0.02 0.00 -0.45 0.00 0.00 34.95 32.42 2d8k s ARG 93 CO 0.35 -1.80 0.01 0.42 -0.68 0.00 0.00 175.30 173.60 2d8k s ILE 94 N -3.39 0.03 -0.35 1.52 1.01 -0.98 -3.24 121.20 115.80 2d8k s ILE 94 Ca 0.69 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 61.14 2d8k s ILE 94 Cb -0.04 -0.10 0.01 0.00 0.01 0.00 0.00 42.46 42.33 2d8k s ILE 94 CO 0.47 0.07 1.31 -0.22 0.00 0.00 0.00 174.94 176.57 2d8k s LEU 95 N 0.57 3.76 -0.33 2.97 2.96 -0.20 -3.00 118.68 125.41 2d8k s LEU 95 Ca -0.05 1.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.84 2d8k s LEU 95 Cb -0.07 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.14 2d8k s LEU 95 CO -0.01 -1.20 0.06 -0.47 -1.32 0.00 0.00 176.35 173.40 2d8k s TYR 96 N 4.70 3.33 -0.17 5.38 6.14 -0.84 -2.49 117.35 133.40 2d8k s TYR 96 Ca 0.57 -1.90 -0.01 0.00 0.64 0.00 0.00 57.07 56.37 2d8k s TYR 96 Cb -0.15 -2.37 -0.00 0.00 0.42 0.00 0.00 41.96 39.86 2d8k s TYR 96 CO 0.27 -0.82 -0.12 -0.51 0.64 0.00 0.00 175.55 175.00 2d8k s LEU 97 N 1.26 2.59 -0.15 6.97 1.43 -1.02 -0.98 118.68 128.77 2d8k s LEU 97 Ca -0.02 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2d8k s LEU 97 Cb -0.20 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2d8k s LEU 97 CO -0.01 0.05 -0.16 -1.58 0.23 0.00 0.00 176.35 174.88 2d8k s GLN 98 N 1.01 2.52 -0.30 1.70 0.74 -1.01 0.52 119.66 124.84 2d8k s GLN 98 Ca -0.01 -0.65 -0.11 0.00 0.05 0.00 0.00 55.36 54.63 2d8k s GLN 98 Cb -0.15 -2.24 -0.04 0.00 1.10 0.00 0.00 33.01 31.68 2d8k s GLN 98 CO -0.02 -0.21 0.20 0.08 -0.55 0.00 0.00 175.29 174.79 2d8k s VAL 99 N 1.37 5.27 0.36 1.34 1.01 0.80 -2.38 120.40 128.18 2d8k s VAL 99 Ca 0.04 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2d8k s VAL 99 Cb -0.13 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2d8k s VAL 99 CO -0.10 0.17 0.54 0.00 0.00 0.00 0.00 175.10 175.70 2d8k n LEU 100 N 5.07 0.00 -4.61 3.92 -0.00 -1.06 -2.37 117.00 117.94 2d8k n LEU 100 Ca -0.14 -2.89 -0.34 0.00 -0.00 0.00 0.00 56.01 52.64 2d8k n LEU 100 Cb 0.51 2.75 -0.11 0.00 -0.00 0.00 0.00 43.42 46.58 2d8k n LEU 100 CO 0.34 -0.69 -0.34 1.51 -0.00 0.00 0.00 177.39 178.21 2d8k s ASP 101 N -3.21 4.99 0.22 1.45 -4.77 -1.26 -0.75 116.67 113.35 2d8k s ASP 101 Ca 0.28 0.04 -0.30 0.00 -3.30 0.00 0.00 52.55 49.27 2d8k s ASP 101 Cb -0.01 -1.47 -0.09 0.00 -1.09 0.00 0.00 42.92 40.25 2d8k s ASP 101 CO 0.20 0.32 1.29 -0.47 0.70 0.00 0.00 175.17 177.22 2d8k s TYR 102 N -0.54 3.25 0.18 2.11 6.14 -1.17 -4.35 117.35 122.97 2d8k s TYR 102 Ca 0.09 1.29 0.04 0.00 0.64 0.00 0.00 57.07 59.12 2d8k s TYR 102 Cb -0.12 -3.59 -0.01 0.00 0.42 0.00 0.00 41.96 38.66 2d8k s TYR 102 CO 0.02 -1.77 0.13 -0.25 0.64 0.00 0.00 175.55 174.32 2d8k n ASP 103 N 2.28 -0.02 -4.63 4.32 9.92 -1.26 -4.89 116.55 122.26 2d8k n ASP 103 Ca 0.05 -2.15 -0.44 0.00 -0.53 0.00 0.00 54.79 51.71 2d8k n ASP 103 Cb 0.43 0.80 -0.02 0.00 -0.64 0.00 0.00 41.12 41.69 2d8k n ASP 103 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2d8k n ARG 104 N -0.37 1.62 -0.32 -1.24 5.12 -1.25 -4.82 116.66 115.39 2d8k n ARG 104 Ca 0.02 0.57 0.18 0.00 -1.93 0.00 0.00 57.85 56.69 2d8k n ARG 104 Cb 0.32 -2.03 0.36 0.00 -1.16 0.00 0.00 32.46 29.95 2d8k n ARG 104 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2d8k h PHE 105 N 2.46 0.31 -0.21 -1.55 -0.00 -2.04 -1.90 116.94 114.00 2d8k h PHE 105 Ca -0.42 0.06 0.02 0.00 -0.00 0.00 0.00 57.97 57.62 2d8k h PHE 105 Cb 1.32 0.02 -0.03 0.00 -0.00 0.00 0.00 35.95 37.27 2d8k h PHE 105 CO 0.50 -0.36 -0.12 0.43 -0.00 0.00 0.00 178.31 178.75 2d8k n SER 106 N -5.34 -0.22 -3.90 -0.68 7.64 -1.26 -4.74 113.62 105.12 2d8k n SER 106 Ca 0.26 0.90 -0.09 0.00 1.01 0.00 0.00 58.87 60.95 2d8k n SER 106 Cb 0.86 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 2d8k n SER 106 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2d8k s ARG 107 N -3.67 1.18 0.14 1.43 0.52 -0.71 -5.18 118.95 112.66 2d8k s ARG 107 Ca -0.03 -1.09 0.05 0.00 -0.52 0.00 0.00 55.73 54.15 2d8k s ARG 107 Cb 0.02 0.41 -0.04 0.00 0.52 0.00 0.00 34.95 35.86 2d8k s ARG 107 CO 0.13 -0.45 -0.12 0.54 0.02 0.00 0.00 175.30 175.42 2d8k s ASN 108 N -2.94 1.98 -0.60 0.23 4.22 -1.26 -3.91 114.94 112.65 2d8k s ASN 108 Ca 0.14 -0.93 -0.07 0.00 -2.14 0.00 0.00 52.86 49.86 2d8k s ASN 108 Cb 0.02 -0.05 0.16 0.00 1.28 0.00 0.00 41.25 42.66 2d8k s ASN 108 CO -0.01 -0.23 0.46 -0.62 -2.04 0.00 0.00 177.10 174.66 2d8k s ASP 109 N -2.89 5.70 0.12 3.54 -1.08 -1.26 -5.07 116.67 115.74 2d8k s ASP 109 Ca 0.14 -2.47 -0.31 0.00 -0.52 0.00 0.00 52.55 49.40 2d8k s ASP 109 Cb -0.01 -1.98 -0.08 0.00 -1.46 0.00 0.00 42.92 39.40 2d8k s ASP 109 CO 0.02 -0.53 1.35 -2.16 0.52 0.00 0.00 175.17 174.38 2d8k s PRO 110 N 0.52 4.34 -0.18 4.34 0.04 -1.26 -3.99 135.00 138.80 2d8k s PRO 110 Ca 0.13 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 2d8k s PRO 110 Cb -0.20 -3.25 -0.22 0.00 0.04 0.00 0.00 34.50 30.87 2d8k s PRO 110 CO -0.04 -0.39 0.43 0.82 0.04 0.00 0.00 177.00 177.87 2d8k h ILE 111 N 4.20 1.26 0.00 0.56 2.04 -1.84 -3.44 117.51 120.28 2d8k h ILE 111 Ca -0.42 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.19 2d8k h ILE 111 Cb 1.21 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.97 2d8k h ILE 111 CO 0.84 0.43 0.00 0.61 0.00 0.00 0.00 178.15 180.03 2d8k n GLY 112 N 1.50 -1.00 2.21 5.37 0.00 -1.00 -3.88 105.19 108.40 2d8k n GLY 112 Ca -0.24 -1.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 2d8k n GLY 112 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2d8k n GLU 113 N -0.02 0.66 -3.92 1.61 -0.00 -1.03 -0.14 120.64 117.80 2d8k n GLU 113 Ca 0.00 -1.33 -0.10 0.00 -0.00 0.00 0.00 57.16 55.73 2d8k n GLU 113 Cb 0.00 1.64 -0.10 0.00 -0.00 0.00 0.00 31.44 32.98 2d8k n GLU 113 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2d8k s VAL 114 N -2.48 0.10 -0.12 3.84 1.01 0.18 -0.92 120.40 122.01 2d8k s VAL 114 Ca 0.10 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2d8k s VAL 114 Cb -0.03 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.95 2d8k s VAL 114 CO 0.07 -0.45 -0.07 -0.94 0.00 0.00 0.00 175.10 173.71 2d8k s SER 115 N -1.51 2.29 -0.13 3.32 1.04 -1.26 -2.43 113.70 115.01 2d8k s SER 115 Ca -0.14 -0.37 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 2d8k s SER 115 Cb -0.08 -0.84 0.06 0.00 0.10 0.00 0.00 66.02 65.27 2d8k s SER 115 CO -0.00 -0.14 0.27 -0.63 0.98 0.00 0.00 173.24 173.72 2d8k s ILE 116 N 1.71 -0.37 0.34 -1.02 1.01 -1.04 -5.03 121.20 116.80 2d8k s ILE 116 Ca 0.04 0.26 -0.28 0.00 0.00 0.00 0.00 60.65 60.67 2d8k s ILE 116 Cb -0.13 -0.45 -0.09 0.00 0.01 0.00 0.00 42.46 41.80 2d8k s ILE 116 CO -0.08 0.11 1.21 -2.16 0.00 0.00 0.00 174.94 174.02 2d8k s PRO 117 N 2.27 4.32 0.00 2.79 0.04 -1.26 -1.04 135.00 142.13 2d8k s PRO 117 Ca -0.00 2.00 0.29 0.00 0.04 0.00 0.00 61.00 63.33 2d8k s PRO 117 Cb -0.12 -2.97 1.32 0.00 0.04 0.00 0.00 34.50 32.77 2d8k s PRO 117 CO -0.09 -0.14 1.96 1.28 0.04 0.00 0.00 177.00 180.05 2d8k n LEU 118 N 0.66 0.03 0.15 -3.56 4.77 -1.20 -3.07 117.00 114.78 2d8k n LEU 118 Ca 0.01 0.39 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 2d8k n LEU 118 Cb 0.44 -0.41 0.13 0.00 -2.33 0.00 0.00 43.42 41.26 2d8k n LEU 118 CO 0.55 0.01 0.50 -1.13 -1.33 0.00 0.00 177.39 175.99 2d8k h ASN 119 N 0.02 0.00 0.06 -1.43 -0.73 -1.77 -3.35 115.58 108.38 2d8k h ASN 119 Ca 0.00 -0.02 -0.32 0.00 1.87 0.00 0.00 56.30 57.83 2d8k h ASN 119 Cb 0.42 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.98 2d8k h ASN 119 CO 0.00 0.01 -1.74 0.29 -0.37 0.00 0.00 177.43 175.62 2d8k n LYS 120 N -2.78 0.67 -2.32 6.67 4.76 -1.18 -4.90 118.16 119.09 2d8k n LYS 120 Ca 0.03 0.39 -0.41 0.00 -2.87 0.00 0.00 58.31 55.44 2d8k n LYS 120 Cb 0.52 -1.71 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 2d8k n LYS 120 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2d8k s VAL 121 N -2.48 3.54 -0.85 -0.18 0.11 -1.21 -4.91 120.40 114.42 2d8k s VAL 121 Ca -0.26 1.22 -0.25 0.00 -2.93 0.00 0.00 61.98 59.76 2d8k s VAL 121 Cb 0.07 -3.78 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 2d8k s VAL 121 CO 0.68 0.16 2.05 -1.81 -3.33 0.00 0.00 175.10 172.84 2d8k s ASP 122 N 0.49 4.87 0.43 3.54 1.11 -1.26 -4.76 116.67 121.10 2d8k s ASP 122 Ca 0.56 -0.41 0.30 0.00 0.18 0.00 0.00 52.55 53.19 2d8k s ASP 122 Cb -0.33 -2.55 1.44 0.00 1.07 0.00 0.00 42.92 42.54 2d8k s ASP 122 CO 0.35 -2.96 1.91 -0.07 1.18 0.00 0.00 175.17 175.57 2d8k h LEU 123 N 18.79 0.00 -1.53 1.23 3.38 -1.91 -2.90 115.31 132.37 2d8k h LEU 123 Ca 0.04 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.29 2d8k h LEU 123 Cb 1.02 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 2d8k h LEU 123 CO 1.17 0.00 0.70 0.71 0.09 0.00 0.00 178.44 181.11 2d8k h THR 124 N 0.00 0.50 -4.13 0.22 1.35 -1.86 -2.55 112.91 106.44 2d8k h THR 124 Ca 0.00 -0.10 -0.13 0.00 -0.55 0.00 0.00 66.41 65.63 2d8k h THR 124 Cb 0.23 0.19 -0.14 0.00 -1.73 0.00 0.00 68.15 66.69 2d8k h THR 124 CO 0.00 0.05 -0.51 -1.10 -0.25 0.00 0.00 175.52 173.72 2d8k s GLN 125 N -5.35 0.94 0.21 4.72 -0.21 -1.10 -4.89 119.66 113.98 2d8k s GLN 125 Ca -0.08 -1.25 -0.30 0.00 0.02 0.00 0.00 55.36 53.75 2d8k s GLN 125 Cb 0.25 0.30 -0.09 0.00 1.00 0.00 0.00 33.01 34.47 2d8k s GLN 125 CO 0.80 -0.29 1.24 1.41 -2.12 0.00 0.00 175.29 176.33 2d8k s MET 126 N -3.97 4.45 -0.08 2.91 1.75 -1.26 -4.61 119.30 118.49 2d8k s MET 126 Ca 0.16 1.96 -0.03 0.00 -1.25 0.00 0.00 55.69 56.53 2d8k s MET 126 Cb 0.06 -3.21 0.05 0.00 2.84 0.00 0.00 34.83 34.57 2d8k s MET 126 CO -0.03 -0.14 0.15 -0.65 -0.65 0.00 0.00 175.02 173.71 2d8k s GLN 127 N -0.38 0.03 0.56 4.11 -1.52 -0.89 -4.98 119.66 116.60 2d8k s GLN 127 Ca 0.53 0.54 -0.19 0.00 -1.95 0.00 0.00 55.36 54.30 2d8k s GLN 127 Cb -0.35 -0.29 -0.05 0.00 -0.22 0.00 0.00 33.01 32.11 2d8k s GLN 127 CO 0.39 -0.30 1.16 0.99 -0.25 0.00 0.00 175.29 177.27 2d8k s THR 128 N 2.24 2.98 -0.02 -0.19 2.01 -1.26 -2.78 115.64 118.62 2d8k s THR 128 Ca 0.03 0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.65 2d8k s THR 128 Cb -0.12 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.16 2d8k s THR 128 CO -0.06 -0.14 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.31 2d8k s PHE 129 N -1.73 0.73 -0.30 4.92 0.40 0.84 -4.96 117.98 117.88 2d8k s PHE 129 Ca 0.74 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.92 2d8k s PHE 129 Cb -0.26 -0.54 0.09 0.00 0.51 0.00 0.00 43.02 42.81 2d8k s PHE 129 CO 0.29 -0.09 0.03 -1.58 0.70 0.00 0.00 175.22 174.58 2d8k s TRP 130 N 0.27 2.69 0.11 0.36 0.52 -1.26 -2.21 118.94 119.42 2d8k s TRP 130 Ca -0.04 -2.20 0.07 0.00 0.02 0.00 0.00 56.10 53.95 2d8k s TRP 130 Cb -0.08 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2d8k s TRP 130 CO 0.00 -0.87 -0.16 0.15 0.02 0.00 0.00 176.95 176.09 2d8k s LYS 131 N 1.28 1.04 -0.45 4.98 -0.14 -1.17 -5.01 119.74 120.27 2d8k s LYS 131 Ca 0.05 -1.18 -0.21 0.00 -1.36 0.00 0.00 55.97 53.27 2d8k s LYS 131 Cb -0.18 -1.07 0.03 0.00 -1.68 0.00 0.00 37.83 34.93 2d8k s LYS 131 CO -0.13 0.23 0.65 -0.51 -0.76 0.00 0.00 175.35 174.83 2d8k s ASP 132 N -2.18 6.31 -0.49 2.83 1.11 -1.26 -1.04 116.67 121.94 2d8k s ASP 132 Ca 0.07 -0.41 -0.36 0.00 0.18 0.00 0.00 52.55 52.02 2d8k s ASP 132 Cb -0.07 -2.32 -0.17 0.00 1.07 0.00 0.00 42.92 41.43 2d8k s ASP 132 CO 0.04 -0.80 1.91 0.18 1.18 0.00 0.00 175.17 177.67 2d8k n LEU 133 N 6.28 0.59 -4.72 1.23 4.77 -0.44 -4.84 117.00 119.87 2d8k n LEU 133 Ca -0.02 0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 56.16 2d8k n LEU 133 Cb 0.48 -0.78 0.12 0.00 -2.33 0.00 0.00 43.42 40.90 2d8k n LEU 133 CO 0.54 -0.66 0.72 -0.54 -1.33 0.00 0.00 177.39 176.12 2d8k s LYS 134 N 5.52 1.82 -0.70 3.23 -0.14 -0.10 -4.56 119.74 124.80 2d8k s LYS 134 Ca 1.05 1.49 -0.26 0.00 -1.36 0.00 0.00 55.97 56.89 2d8k s LYS 134 Cb -1.26 -1.82 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 2d8k s LYS 134 CO 0.55 -2.02 1.89 -1.25 -0.76 0.00 0.00 175.35 173.76 2d8k s PRO 135 N -4.47 2.60 0.00 -1.68 0.04 -1.26 -2.46 135.00 127.76 2d8k s PRO 135 Ca 0.67 0.33 -0.24 0.00 0.04 0.00 0.00 61.00 61.80 2d8k s PRO 135 Cb -0.23 -4.60 -0.05 0.00 0.04 0.00 0.00 34.50 29.66 2d8k s PRO 135 CO 0.52 -2.94 0.73 0.45 0.04 0.00 0.00 177.00 175.80 2d8k s SER 136 N 8.11 7.12 0.04 6.66 0.15 -1.25 -4.99 113.70 129.53 2d8k s SER 136 Ca 0.68 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2d8k s SER 136 Cb -0.11 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2d8k s SER 136 CO 0.14 -0.03 0.02 0.61 1.20 0.00 0.00 173.24 175.19 2d8k n GLY 137 N 2.65 3.10 3.64 9.45 0.00 -1.26 -4.75 105.19 118.02 2d8k n GLY 137 Ca -0.02 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 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 -2.14 3.98 -0.07 1.61 0.04 -1.26 -5.00 135.00 132.17 2d8k s PRO 138 Ca 0.02 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 2d8k s PRO 138 Cb -0.00 -3.98 0.03 0.00 0.04 0.00 0.00 34.50 30.59 2d8k s PRO 138 CO 0.01 -1.06 -0.01 -1.12 0.04 0.00 0.00 177.00 174.86 2d8k s SER 139 N 3.60 1.47 0.42 6.66 0.01 -1.26 -5.15 113.70 119.45 2d8k s SER 139 Ca 0.69 -0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.93 2d8k s SER 139 Cb -0.27 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 2d8k s SER 139 CO 0.27 -0.17 0.30 -0.44 0.41 0.00 0.00 173.24 173.61 2d8k s SER 140 N 1.79 4.78 0.00 2.44 0.01 -1.26 -5.24 113.70 116.21 2d8k s SER 140 Ca 0.02 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2d8k s SER 140 Cb -0.13 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.64 2d8k s SER 140 CO -0.04 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.57