#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 5.67 0.09 1.61 0.15 -1.26 -4.90 113.70 115.06 2d8k s SER 2 Ca 0.00 -1.18 -0.01 0.00 0.70 0.00 0.00 55.95 55.46 2d8k s SER 2 Cb 0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2d8k s SER 2 CO 0.00 -2.29 0.01 -0.94 1.20 0.00 0.00 173.24 171.22 2d8k s SER 3 N 6.61 0.40 0.00 5.45 1.04 -1.26 -5.12 113.70 120.81 2d8k s SER 3 Ca 0.61 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2d8k s SER 3 Cb -0.03 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2d8k s SER 3 CO -0.01 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2d8k n GLY 4 N 0.01 -0.16 2.72 7.32 0.00 -1.26 -5.12 105.19 108.70 2d8k n GLY 4 Ca -0.10 0.55 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 3.65 0.07 1.61 0.01 -1.26 -5.10 113.70 112.69 2d8k s SER 5 Ca 0.00 -2.71 0.07 0.00 1.31 0.00 0.00 55.95 54.62 2d8k s SER 5 Cb 0.00 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 2d8k s SER 5 CO 0.00 -0.25 -0.18 -0.44 0.41 0.00 0.00 173.24 172.77 2d8k s SER 6 N 0.24 2.20 -0.43 2.44 0.01 -1.26 -5.08 113.70 111.83 2d8k s SER 6 Ca 0.18 -0.59 0.08 0.00 1.31 0.00 0.00 55.95 56.93 2d8k s SER 6 Cb -0.23 -0.13 0.33 0.00 0.21 0.00 0.00 66.02 66.20 2d8k s SER 6 CO -0.01 0.05 1.00 0.61 0.41 0.00 0.00 173.24 175.30 2d8k n GLY 7 N 1.46 1.53 3.88 3.44 0.00 -1.26 -5.13 105.19 109.11 2d8k n GLY 7 Ca -0.19 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 2d8k n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8k s SER 8 N -1.63 6.50 0.16 1.61 0.15 -1.26 -5.10 113.70 114.13 2d8k s SER 8 Ca 0.28 0.57 -0.05 0.00 0.70 0.00 0.00 55.95 57.44 2d8k s SER 8 Cb 0.31 -2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 62.47 2d8k s SER 8 CO -0.06 0.26 0.41 -0.60 1.20 0.00 0.00 173.24 174.45 2d8k s ARG 9 N -1.69 3.64 0.10 5.44 6.06 -1.26 -5.10 118.95 126.13 2d8k s ARG 9 Ca 0.27 -0.04 -0.13 0.00 -2.50 0.00 0.00 55.73 53.32 2d8k s ARG 9 Cb -0.13 -2.81 0.02 0.00 0.06 0.00 0.00 34.95 32.08 2d8k s ARG 9 CO 0.15 0.44 0.32 -1.83 -2.50 0.00 0.00 175.30 171.88 2d8k s GLU 10 N -2.72 0.95 -1.09 5.12 1.03 -1.26 -5.10 118.70 115.63 2d8k s GLU 10 Ca 0.42 -0.74 -0.08 0.00 0.03 0.00 0.00 54.97 54.60 2d8k s GLU 10 Cb -0.12 0.41 0.27 0.00 -0.80 0.00 0.00 34.13 33.89 2d8k s GLU 10 CO 0.24 -0.34 1.07 -0.80 -1.33 0.00 0.00 175.26 174.11 2d8k s ASN 11 N -2.67 7.15 0.00 0.83 0.01 -1.26 -4.77 114.94 114.23 2d8k s ASN 11 Ca 0.02 -3.64 0.14 0.00 -0.71 0.00 0.00 52.86 48.67 2d8k s ASN 11 Cb 0.02 -2.17 -0.19 0.00 0.41 0.00 0.00 41.25 39.32 2d8k s ASN 11 CO -0.10 -0.27 0.76 -0.07 -1.51 0.00 0.00 177.10 175.91 2d8k h LEU 12 N 6.55 0.00 0.00 0.60 3.38 -1.87 -3.32 115.31 120.65 2d8k h LEU 12 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2d8k h LEU 12 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2d8k h LEU 12 CO 1.00 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.98 2d8k n GLY 13 N 1.49 -1.79 3.06 0.83 0.00 -0.63 -4.04 105.19 104.10 2d8k n GLY 13 Ca -0.13 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 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 0.54 -0.07 1.61 1.70 -0.87 -1.87 118.95 120.00 2d8k s ARG 14 Ca 0.00 -0.94 0.05 0.00 -0.47 0.00 0.00 55.73 54.37 2d8k s ARG 14 Cb 0.00 -0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.35 2d8k s ARG 14 CO 0.00 -0.04 -0.22 -1.50 -1.08 0.00 0.00 175.30 172.46 2d8k s ILE 15 N -2.47 2.31 -0.11 4.99 2.07 -0.42 -2.86 121.20 124.72 2d8k s ILE 15 Ca -0.04 -0.97 -0.02 0.00 -1.41 0.00 0.00 60.65 58.22 2d8k s ILE 15 Cb -0.03 -1.87 -0.03 0.00 0.13 0.00 0.00 42.46 40.67 2d8k s ILE 15 CO -0.04 0.57 -0.04 -1.58 -1.91 0.00 0.00 174.94 171.94 2d8k s GLN 16 N -0.14 3.19 0.01 3.50 2.00 -1.07 -3.46 119.66 123.69 2d8k s GLN 16 Ca -0.04 -0.50 -0.29 0.00 -2.00 0.00 0.00 55.36 52.54 2d8k s GLN 16 Cb -0.14 -2.78 0.07 0.00 0.80 0.00 0.00 33.01 30.96 2d8k s GLN 16 CO 0.04 0.50 0.65 -0.59 -0.50 0.00 0.00 175.29 175.39 2d8k s PHE 17 N -0.34 -0.62 0.06 1.67 -0.71 -1.23 -2.45 117.98 114.36 2d8k s PHE 17 Ca 0.06 0.90 0.02 0.00 -1.04 0.00 0.00 56.93 56.87 2d8k s PHE 17 Cb -0.12 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 2d8k s PHE 17 CO 0.02 -0.67 0.06 -1.54 -1.34 0.00 0.00 175.22 171.75 2d8k s SER 18 N -1.60 5.44 -0.03 1.98 1.04 0.89 -2.43 113.70 118.99 2d8k s SER 18 Ca -0.08 -0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.39 2d8k s SER 18 Cb -0.00 -1.46 -0.00 0.00 0.10 0.00 0.00 66.02 64.65 2d8k s SER 18 CO 0.04 0.20 -0.15 -0.69 0.98 0.00 0.00 173.24 173.62 2d8k s VAL 19 N -1.31 1.27 -0.30 5.02 1.01 0.04 -2.62 120.40 123.52 2d8k s VAL 19 Ca 0.26 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 2d8k s VAL 19 Cb -0.12 -1.08 0.18 0.00 0.00 0.00 0.00 36.38 35.36 2d8k s VAL 19 CO 0.19 0.37 1.16 -0.83 0.00 0.00 0.00 175.10 175.99 2d8k s GLY 20 N -0.06 0.10 -0.10 4.51 0.00 -1.05 -0.20 107.32 110.53 2d8k s GLY 20 Ca -0.01 3.42 -0.03 0.00 0.00 0.00 0.00 44.72 48.10 2d8k s GLY 20 CO 0.01 3.29 0.03 -0.47 0.00 0.00 0.00 173.10 175.96 2d8k s TYR 21 N 2.16 3.25 0.02 1.90 6.14 -0.99 -0.91 117.35 128.92 2d8k s TYR 21 Ca -0.01 0.25 -0.06 0.00 0.64 0.00 0.00 57.07 57.89 2d8k s TYR 21 Cb -0.03 -1.83 -0.05 0.00 0.42 0.00 0.00 41.96 40.47 2d8k s TYR 21 CO -0.16 0.51 0.27 1.21 0.64 0.00 0.00 175.55 178.02 2d8k s ASN 22 N -0.86 6.49 -0.14 4.32 2.47 0.39 -4.62 114.94 122.99 2d8k s ASN 22 Ca 0.13 0.55 -0.11 0.00 0.42 0.00 0.00 52.86 53.85 2d8k s ASN 22 Cb -0.12 -2.09 -0.08 0.00 -1.45 0.00 0.00 41.25 37.52 2d8k s ASN 22 CO 0.03 0.24 0.05 -0.26 -3.72 0.00 0.00 177.10 173.44 2d8k h PHE 23 N 3.90 0.00 -0.05 0.43 -1.00 -1.95 -2.49 116.94 115.78 2d8k h PHE 23 Ca -0.50 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.29 2d8k h PHE 23 Cb 1.19 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.74 2d8k h PHE 23 CO 0.68 0.38 -0.10 1.96 -1.61 0.00 0.00 178.31 179.62 2d8k h GLN 24 N -1.00 -0.08 0.00 1.51 4.20 -1.98 -0.28 115.11 117.48 2d8k h GLN 24 Ca -0.06 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2d8k h GLN 24 Cb 0.56 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2d8k h GLN 24 CO -0.04 -0.05 0.00 0.93 -0.67 0.00 0.00 178.83 179.00 2d8k h GLU 25 N -0.08 0.00 -6.23 1.46 4.39 -2.01 -3.46 114.58 108.64 2d8k h GLU 25 Ca 0.01 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.26 2d8k h GLU 25 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2d8k h GLU 25 CO -0.09 0.00 -0.81 -1.13 -1.16 0.00 0.00 179.01 175.81 2d8k n SER 26 N -2.41 -2.42 -4.28 1.42 3.41 -0.12 -4.97 113.62 104.25 2d8k n SER 26 Ca 0.02 -0.83 -0.19 0.00 -0.26 0.00 0.00 58.87 57.60 2d8k n SER 26 Cb 0.24 -3.85 -0.11 0.00 -0.26 0.00 0.00 64.21 60.23 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 -3.56 1.51 -0.01 6.66 2.01 -1.10 -4.50 115.64 116.65 2d8k s THR 27 Ca 0.26 -1.81 -0.07 0.00 0.31 0.00 0.00 61.69 60.37 2d8k s THR 27 Cb -0.13 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 2d8k s THR 27 CO 0.83 -0.40 0.26 -0.22 -0.69 0.00 0.00 174.62 174.41 2d8k s LEU 28 N -2.58 4.38 -0.23 4.42 2.96 -1.22 -0.46 118.68 125.95 2d8k s LEU 28 Ca 0.12 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 2d8k s LEU 28 Cb -0.05 -2.56 0.05 0.00 0.50 0.00 0.00 46.19 44.13 2d8k s LEU 28 CO 0.04 0.29 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.37 2d8k s THR 29 N -1.23 1.87 -0.33 3.68 2.01 -0.08 -3.04 115.64 118.52 2d8k s THR 29 Ca 0.25 -1.34 0.02 0.00 0.31 0.00 0.00 61.69 60.94 2d8k s THR 29 Cb -0.13 -1.99 0.09 0.00 0.01 0.00 0.00 72.50 70.47 2d8k s THR 29 CO 0.14 0.04 0.03 -0.69 -0.69 0.00 0.00 174.62 173.44 2d8k s VAL 30 N 1.26 2.46 -0.30 3.82 1.01 -1.24 -2.52 120.40 124.89 2d8k s VAL 30 Ca -0.05 -2.04 -0.12 0.00 0.00 0.00 0.00 61.98 59.76 2d8k s VAL 30 Cb -0.18 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2d8k s VAL 30 CO -0.07 -0.43 0.24 -0.75 0.00 0.00 0.00 175.10 174.10 2d8k s LYS 31 N 1.02 3.79 -0.92 2.72 2.20 -1.08 -3.32 119.74 124.15 2d8k s LYS 31 Ca 0.04 -0.38 -0.17 0.00 -0.36 0.00 0.00 55.97 55.10 2d8k s LYS 31 Cb -0.20 -3.72 0.15 0.00 -1.51 0.00 0.00 37.83 32.56 2d8k s LYS 31 CO -0.06 -0.30 1.06 0.42 -0.36 0.00 0.00 175.35 176.11 2d8k s ILE 32 N 1.81 4.94 0.00 5.43 -1.09 -1.12 -0.07 121.20 131.10 2d8k s ILE 32 Ca 0.08 -1.82 0.00 0.00 -2.23 0.00 0.00 60.65 56.68 2d8k s ILE 32 Cb -0.16 -4.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.00 2d8k s ILE 32 CO 0.11 -1.41 0.74 0.23 -1.23 0.00 0.00 174.94 173.37 2d8k n MET 33 N 5.94 0.00 -3.71 2.79 2.81 -1.02 0.68 117.12 124.61 2d8k n MET 33 Ca 0.22 0.72 0.01 0.00 -1.81 0.00 0.00 57.70 56.84 2d8k n MET 33 Cb 0.48 -1.24 0.01 0.00 -0.71 0.00 0.00 33.22 31.77 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 -1.91 0.26 -4.44 0.03 0.00 -1.23 -0.80 118.16 110.06 2d8k n LYS 34 Ca 0.00 -0.83 -0.25 0.00 -0.00 0.00 0.00 58.31 57.23 2d8k n LYS 34 Cb 0.00 1.28 -0.11 0.00 -0.00 0.00 0.00 35.03 36.21 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 -1.90 2.69 0.03 0.58 0.00 -1.07 -2.60 121.76 119.50 2d8k s ALA 35 Ca 0.25 -1.76 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 2d8k s ALA 35 Cb -0.01 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.82 2d8k s ALA 35 CO 0.01 0.35 0.42 -0.65 0.00 0.00 0.00 175.76 175.88 2d8k s GLN 36 N -3.16 0.90 -1.29 0.00 -0.21 -1.13 -4.26 119.66 110.51 2d8k s GLN 36 Ca 0.26 -0.30 -0.06 0.00 0.02 0.00 0.00 55.36 55.28 2d8k s GLN 36 Cb -0.06 0.40 0.01 0.00 1.00 0.00 0.00 33.01 34.36 2d8k s GLN 36 CO 0.13 -0.30 0.80 0.39 -2.12 0.00 0.00 175.29 174.19 2d8k n GLU 37 N 0.63 -5.73 -3.10 2.91 1.02 -1.26 -2.04 120.64 113.06 2d8k n GLU 37 Ca -0.19 0.77 -0.39 0.00 -0.02 0.00 0.00 57.16 57.33 2d8k n GLU 37 Cb 0.59 -5.47 -0.05 0.00 -0.02 0.00 0.00 31.44 26.49 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 -6.27 4.42 0.78 -4.62 1.43 -1.26 -1.61 118.68 111.56 2d8k s LEU 38 Ca 0.40 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 2d8k s LEU 38 Cb -0.17 -3.06 0.06 0.00 0.03 0.00 0.00 46.19 43.05 2d8k s LEU 38 CO 0.49 0.05 1.09 -2.16 0.23 0.00 0.00 176.35 176.05 2d8k s PRO 39 N -0.05 2.19 0.43 1.29 0.04 -1.25 -4.91 135.00 132.75 2d8k s PRO 39 Ca 0.35 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.61 2d8k s PRO 39 Cb -0.19 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 2d8k s PRO 39 CO 0.20 -1.68 0.47 0.00 0.04 0.00 0.00 177.00 176.02 2d8k s ALA 40 N -2.91 4.28 0.00 8.56 0.00 -1.26 -4.88 121.76 125.55 2d8k s ALA 40 Ca 0.61 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2d8k s ALA 40 Cb -0.17 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2d8k s ALA 40 CO 0.56 -0.30 0.00 1.63 0.00 0.00 0.00 175.76 177.65 2d8k n LYS 41 N -1.70 0.09 -1.66 0.00 4.76 -1.24 -5.02 118.16 113.40 2d8k n LYS 41 Ca 0.06 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.19 2d8k n LYS 41 Cb 0.61 -0.71 0.05 0.00 -1.84 0.00 0.00 35.03 33.14 2d8k n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2d8k s ASP 42 N -3.33 5.39 0.09 4.39 1.11 -1.03 -4.97 116.67 118.31 2d8k s ASP 42 Ca 0.00 1.47 -0.33 0.00 0.18 0.00 0.00 52.55 53.86 2d8k s ASP 42 Cb 0.00 -2.34 -0.16 0.00 1.07 0.00 0.00 42.92 41.49 2d8k s ASP 42 CO 0.00 -1.42 1.60 -0.26 1.18 0.00 0.00 175.17 176.27 2d8k h PHE 43 N -0.70 -1.10 -0.90 4.23 -1.00 -1.99 -2.55 116.94 112.93 2d8k h PHE 43 Ca -0.45 0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.50 2d8k h PHE 43 Cb 1.22 0.42 -0.10 0.00 3.61 0.00 0.00 35.95 41.10 2d8k h PHE 43 CO 0.59 -0.58 0.49 0.77 -1.61 0.00 0.00 178.31 177.97 2d8k h SER 44 N -0.89 0.60 0.00 2.17 0.02 -2.04 -3.45 113.55 109.96 2d8k h SER 44 Ca -0.05 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2d8k h SER 44 Cb 0.76 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2d8k h SER 44 CO -0.02 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 2d8k n GLY 45 N -1.33 1.38 3.53 -3.77 0.00 -0.96 -5.13 105.19 98.92 2d8k n GLY 45 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2d8k n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d8k s THR 46 N -1.85 2.97 0.07 2.61 -4.23 -1.26 -4.84 115.64 109.11 2d8k s THR 46 Ca 0.00 -1.74 -0.26 0.00 -1.18 0.00 0.00 61.69 58.51 2d8k s THR 46 Cb 0.00 -2.45 0.07 0.00 1.34 0.00 0.00 72.50 71.46 2d8k s THR 46 CO 0.00 -0.10 0.65 -0.44 -0.54 0.00 0.00 174.62 174.19 2d8k s SER 47 N -2.75 -0.58 -0.95 3.99 0.01 -1.26 -2.47 113.70 109.68 2d8k s SER 47 Ca 0.24 0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.72 2d8k s SER 47 Cb -0.09 0.56 0.24 0.00 0.21 0.00 0.00 66.02 66.94 2d8k s SER 47 CO 0.14 -0.81 0.88 0.47 0.41 0.00 0.00 173.24 174.33 2d8k n ASP 48 N 0.10 4.55 -4.77 2.44 8.00 -1.26 -1.79 116.55 123.82 2d8k n ASP 48 Ca -0.17 -3.13 -0.31 0.00 0.71 0.00 0.00 54.79 51.89 2d8k n ASP 48 Cb 0.62 -1.12 0.09 0.00 -0.02 0.00 0.00 41.12 40.69 2d8k n ASP 48 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2d8k s PRO 49 N -1.45 2.28 -0.28 -0.24 0.04 -1.25 -0.59 135.00 133.50 2d8k s PRO 49 Ca 0.29 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.31 2d8k s PRO 49 Cb -0.07 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.70 2d8k s PRO 49 CO -0.11 -1.63 0.95 -0.59 0.04 0.00 0.00 177.00 175.66 2d8k s PHE 50 N -2.87 -0.61 0.20 0.56 -0.12 0.13 -3.80 117.98 111.46 2d8k s PHE 50 Ca 0.61 1.31 -0.17 0.00 -0.05 0.00 0.00 56.93 58.64 2d8k s PHE 50 Cb -0.17 0.39 -0.08 0.00 -0.63 0.00 0.00 43.02 42.53 2d8k s PHE 50 CO 0.55 -0.30 0.65 0.08 -0.05 0.00 0.00 175.22 176.15 2d8k s VAL 51 N 0.91 4.71 -0.16 -2.49 1.01 -1.26 -1.11 120.40 122.01 2d8k s VAL 51 Ca -0.04 1.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 2d8k s VAL 51 Cb -0.04 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2d8k s VAL 51 CO -0.11 0.19 -0.08 -0.75 0.00 0.00 0.00 175.10 174.34 2d8k s LYS 52 N -2.06 1.68 0.05 2.72 2.20 0.80 -1.87 119.74 123.26 2d8k s LYS 52 Ca 0.42 -0.51 -0.19 0.00 -0.36 0.00 0.00 55.97 55.32 2d8k s LYS 52 Cb -0.15 -1.99 -0.06 0.00 -1.51 0.00 0.00 37.83 34.11 2d8k s LYS 52 CO 0.20 -0.36 0.55 0.42 -0.36 0.00 0.00 175.35 175.79 2d8k s ILE 53 N 1.59 4.81 -0.12 5.43 1.01 0.28 -1.99 121.20 132.22 2d8k s ILE 53 Ca 0.02 1.16 -0.05 0.00 0.00 0.00 0.00 60.65 61.78 2d8k s ILE 53 Cb -0.14 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.50 2d8k s ILE 53 CO -0.08 0.54 0.26 -0.31 0.00 0.00 0.00 174.94 175.34 2d8k s TYR 54 N -0.95 -0.37 -1.21 3.97 1.51 -0.31 -2.36 117.35 117.63 2d8k s TYR 54 Ca 0.28 0.87 -0.11 0.00 -1.01 0.00 0.00 57.07 57.10 2d8k s TYR 54 Cb -0.19 0.04 0.19 0.00 -0.11 0.00 0.00 41.96 41.89 2d8k s TYR 54 CO 0.18 -0.27 1.53 1.28 -1.11 0.00 0.00 175.55 177.15 2d8k n LEU 55 N 4.56 5.71 -4.75 -1.29 4.77 -1.26 -1.72 117.00 123.02 2d8k n LEU 55 Ca -0.20 -4.62 -0.35 0.00 -0.03 0.00 0.00 56.01 50.81 2d8k n LEU 55 Cb 0.52 -1.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.11 2d8k n LEU 55 CO 0.11 1.03 0.83 -0.76 -1.33 0.00 0.00 177.39 177.26 2d8k s LEU 56 N 0.54 3.60 0.03 2.23 1.43 -1.09 -2.71 118.68 122.71 2d8k s LEU 56 Ca 0.40 2.35 -0.21 0.00 -1.03 0.00 0.00 54.13 55.64 2d8k s LEU 56 Cb 0.00 -4.59 -0.16 0.00 0.03 0.00 0.00 46.19 41.47 2d8k s LEU 56 CO 0.00 -1.68 1.33 1.55 0.23 0.00 0.00 176.35 177.78 2d8k h PRO 57 N 0.66 0.28 -3.98 1.29 0.13 -1.89 -1.36 132.00 127.13 2d8k h PRO 57 Ca -0.50 -0.15 -0.54 0.00 -0.87 0.00 0.00 66.00 63.94 2d8k h PRO 57 Cb 1.29 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.45 2d8k h PRO 57 CO 0.54 0.69 0.18 -0.40 -0.23 0.00 0.00 178.00 178.78 2d8k n ASP 58 N -4.62 0.27 -0.01 1.44 5.68 -1.10 -4.84 116.55 113.37 2d8k n ASP 58 Ca -0.07 0.78 0.00 0.00 -0.50 0.00 0.00 54.79 55.00 2d8k n ASP 58 Cb 0.34 -0.60 0.01 0.00 -1.14 0.00 0.00 41.12 39.72 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2d8k n LYS 59 N 1.56 2.36 0.20 0.11 5.02 -1.26 -4.02 118.16 122.14 2d8k n LYS 59 Ca 0.16 -1.36 -0.08 0.00 -2.02 0.00 0.00 58.31 55.01 2d8k n LYS 59 Cb 0.02 -0.92 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 2d8k n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2d8k h LYS 60 N 0.00 -0.50 -5.02 1.97 1.57 -1.92 -3.40 116.57 109.26 2d8k h LYS 60 Ca 0.00 0.03 -0.66 0.00 -1.87 0.00 0.00 60.65 58.15 2d8k h LYS 60 Cb 0.62 0.11 -0.17 0.00 0.08 0.00 0.00 32.23 32.87 2d8k h LYS 60 CO 0.00 -0.33 -0.21 -1.01 -0.57 0.00 0.00 179.45 177.33 2d8k s HIS 61 N -4.09 3.20 0.14 -1.35 3.76 -1.26 -5.06 115.29 110.63 2d8k s HIS 61 Ca -0.08 -0.00 0.08 0.00 -0.15 0.00 0.00 55.06 54.91 2d8k s HIS 61 Cb 0.01 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 2d8k s HIS 61 CO 0.23 -0.49 -0.18 -1.59 -0.85 0.00 0.00 174.74 171.85 2d8k s LYS 62 N 2.14 1.20 0.13 1.40 0.00 -1.26 -4.54 119.74 118.80 2d8k s LYS 62 Ca 0.14 -1.32 0.05 0.00 0.00 0.00 0.00 55.97 54.84 2d8k s LYS 62 Cb -0.16 -1.29 -0.04 0.00 0.00 0.00 0.00 37.83 36.34 2d8k s LYS 62 CO 0.12 0.27 -0.11 -1.17 0.00 0.00 0.00 175.35 174.46 2d8k s LEU 63 N -2.43 2.47 0.21 2.77 2.96 -0.99 -5.03 118.68 118.64 2d8k s LEU 63 Ca 0.12 -0.91 -0.11 0.00 -0.22 0.00 0.00 54.13 53.01 2d8k s LEU 63 Cb -0.07 -0.42 -0.01 0.00 0.50 0.00 0.00 46.19 46.20 2d8k s LEU 63 CO 0.05 -0.25 0.38 -1.83 -1.32 0.00 0.00 176.35 173.38 2d8k s GLU 64 N -3.23 1.35 0.35 1.98 1.03 -1.26 0.10 118.70 119.02 2d8k s GLU 64 Ca 0.12 -1.22 0.06 0.00 0.03 0.00 0.00 54.97 53.97 2d8k s GLU 64 Cb -0.01 0.42 -0.01 0.00 -0.80 0.00 0.00 34.13 33.74 2d8k s GLU 64 CO 0.02 -0.53 0.50 0.95 -1.33 0.00 0.00 175.26 174.86 2d8k s THR 65 N -4.00 3.97 1.33 1.83 -4.23 -0.78 -4.96 115.64 108.81 2d8k s THR 65 Ca 0.21 -0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 59.55 2d8k s THR 65 Cb 0.01 -3.38 0.32 0.00 1.34 0.00 0.00 72.50 70.80 2d8k s THR 65 CO 0.05 -0.15 0.73 0.29 -0.54 0.00 0.00 174.62 174.99 2d8k n LYS 66 N -1.70 -4.02 -4.74 3.99 4.76 -1.26 -4.63 118.16 110.56 2d8k n LYS 66 Ca 0.01 -1.19 -0.28 0.00 -2.87 0.00 0.00 58.31 53.97 2d8k n LYS 66 Cb 0.58 -1.81 -0.17 0.00 -1.84 0.00 0.00 35.03 31.80 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 -2.12 1.58 -0.24 -0.18 1.01 -1.26 -4.64 120.40 114.55 2d8k s VAL 67 Ca 0.58 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 2d8k s VAL 67 Cb -0.11 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2d8k s VAL 67 CO 0.50 0.45 0.02 -0.54 0.00 0.00 0.00 175.10 175.53 2d8k s LYS 68 N 0.68 3.40 0.54 2.72 -0.14 -1.25 -5.06 119.74 120.64 2d8k s LYS 68 Ca -0.13 -0.63 -0.18 0.00 -1.36 0.00 0.00 55.97 53.67 2d8k s LYS 68 Cb -0.16 -3.18 -0.06 0.00 -1.68 0.00 0.00 37.83 32.75 2d8k s LYS 68 CO 0.03 -0.25 1.07 1.03 -0.76 0.00 0.00 175.35 176.47 2d8k s ARG 69 N 1.52 3.49 -1.44 1.68 1.81 -1.26 -3.76 118.95 120.99 2d8k s ARG 69 Ca 0.05 1.35 -0.12 0.00 -1.72 0.00 0.00 55.73 55.30 2d8k s ARG 69 Cb -0.15 -2.05 0.02 0.00 -0.45 0.00 0.00 34.95 32.32 2d8k s ARG 69 CO 0.00 -0.69 0.22 1.63 -0.68 0.00 0.00 175.30 175.78 2d8k n LYS 70 N -1.49 -0.71 -3.53 3.54 4.01 -1.16 -4.93 118.16 113.89 2d8k n LYS 70 Ca 0.10 0.08 -0.14 0.00 -0.51 0.00 0.00 58.31 57.84 2d8k n LYS 70 Cb 0.52 -3.22 -0.12 0.00 -0.51 0.00 0.00 35.03 31.71 2d8k n LYS 70 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2d8k s ASN 71 N -4.11 0.63 -0.09 4.39 -0.87 -0.74 -4.82 114.94 109.32 2d8k s ASN 71 Ca 0.16 0.26 0.18 0.00 -1.57 0.00 0.00 52.86 51.90 2d8k s ASN 71 Cb -0.09 0.74 -0.25 0.00 -0.02 0.00 0.00 41.25 41.63 2d8k s ASN 71 CO 0.99 -0.28 0.38 0.18 -2.57 0.00 0.00 177.10 175.80 2d8k n LEU 72 N 5.35 0.24 -2.30 0.60 4.77 -1.26 -4.15 117.00 120.25 2d8k n LEU 72 Ca -0.05 0.11 -0.25 0.00 -0.03 0.00 0.00 56.01 55.78 2d8k n LEU 72 Cb 0.50 0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.86 2d8k n LEU 72 CO 0.05 0.29 0.18 0.59 -1.33 0.00 0.00 177.39 177.16 2d8k n ASN 73 N -2.67 4.69 -4.77 -1.43 3.02 -1.26 -4.16 115.26 108.66 2d8k n ASN 73 Ca -0.20 -3.69 -0.35 0.00 -0.03 0.00 0.00 54.58 50.32 2d8k n ASN 73 Cb 0.93 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 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 -3.56 3.25 -0.28 3.52 0.04 -1.26 -4.73 135.00 131.98 2d8k s PRO 74 Ca 0.48 1.57 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 2d8k s PRO 74 Cb 0.40 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2d8k s PRO 74 CO -0.09 -0.92 0.06 -3.38 0.04 0.00 0.00 177.00 172.71 2d8k s HIS 75 N -1.88 3.12 -0.14 0.56 -3.43 -1.26 -2.58 115.29 109.68 2d8k s HIS 75 Ca 0.72 -0.92 -0.15 0.00 -0.80 0.00 0.00 55.06 53.90 2d8k s HIS 75 Cb -0.23 -2.23 -0.25 0.00 -1.43 0.00 0.00 32.58 28.44 2d8k s HIS 75 CO 0.30 -0.55 0.42 -1.49 -2.00 0.00 0.00 174.74 171.41 2d8k h TRP 76 N 8.22 0.32 -4.97 0.38 6.55 -1.60 -3.47 115.95 121.37 2d8k h TRP 76 Ca -0.33 -0.24 -0.23 0.00 0.95 0.00 0.00 58.89 59.04 2d8k h TRP 76 Cb 1.13 -0.01 -0.14 0.00 -0.86 0.00 0.00 29.16 29.28 2d8k h TRP 76 CO 0.62 1.59 -0.33 -1.71 -1.05 0.00 0.00 178.44 177.56 2d8k n ASN 77 N -3.96 -1.02 -4.90 -3.49 5.15 0.21 -4.84 115.26 102.41 2d8k n ASN 77 Ca -0.29 -0.27 -0.28 0.00 -0.60 0.00 0.00 54.58 53.14 2d8k n ASN 77 Cb 0.87 -0.94 -0.01 0.00 -0.53 0.00 0.00 39.78 39.17 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 -4.57 3.60 -0.16 1.20 0.41 -1.25 -4.85 118.70 113.08 2d8k s GLU 78 Ca 0.30 0.29 0.00 0.00 -0.41 0.00 0.00 54.97 55.16 2d8k s GLU 78 Cb -0.18 -2.36 0.03 0.00 -1.78 0.00 0.00 34.13 29.84 2d8k s GLU 78 CO 0.37 -0.19 -0.13 0.99 -0.49 0.00 0.00 175.26 175.82 2d8k s THR 79 N -2.68 1.57 0.35 3.63 2.01 -1.26 -2.77 115.64 116.48 2d8k s THR 79 Ca 0.49 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.84 2d8k s THR 79 Cb -0.10 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2d8k s THR 79 CO 0.42 0.37 0.26 -0.36 -0.69 0.00 0.00 174.62 174.63 2d8k s PHE 80 N 1.47 2.82 -0.15 4.92 0.08 -1.21 -5.01 117.98 120.90 2d8k s PHE 80 Ca 0.03 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 2d8k s PHE 80 Cb -0.14 -1.81 0.08 0.00 -0.57 0.00 0.00 43.02 40.58 2d8k s PHE 80 CO -0.10 0.18 0.29 -0.51 -0.10 0.00 0.00 175.22 174.99 2d8k s LEU 81 N -3.97 -0.37 -0.48 -0.37 1.43 -1.26 -3.67 118.68 109.99 2d8k s LEU 81 Ca 0.41 0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 53.97 2d8k s LEU 81 Cb -0.04 0.82 0.10 0.00 0.03 0.00 0.00 46.19 47.10 2d8k s LEU 81 CO 0.26 -0.25 0.39 -0.36 0.23 0.00 0.00 176.35 176.62 2d8k s PHE 82 N 2.46 3.30 0.17 0.29 0.08 -1.17 -4.94 117.98 118.16 2d8k s PHE 82 Ca 0.02 -1.35 -0.05 0.00 0.12 0.00 0.00 56.93 55.66 2d8k s PHE 82 Cb -0.12 -3.41 -0.06 0.00 -0.57 0.00 0.00 43.02 38.86 2d8k s PHE 82 CO -0.10 -0.92 0.41 -1.21 -0.10 0.00 0.00 175.22 173.30 2d8k s GLU 83 N 1.53 3.63 0.00 0.44 0.41 -1.26 -3.40 118.70 120.05 2d8k s GLU 83 Ca 0.04 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.54 2d8k s GLU 83 Cb -0.26 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 2d8k s GLU 83 CO 0.03 0.43 0.00 0.41 -0.49 0.00 0.00 175.26 175.64 2d8k n GLY 84 N -0.07 1.45 2.79 -1.39 0.00 -1.26 -5.08 105.19 101.63 2d8k n GLY 84 Ca -0.02 -0.24 -0.16 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 -0.42 0.47 1.61 0.40 -1.26 -5.13 117.98 111.64 2d8k s PHE 85 Ca 0.00 0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 56.48 2d8k s PHE 85 Cb 0.00 -0.26 -0.07 0.00 0.51 0.00 0.00 43.02 43.19 2d8k s PHE 85 CO 0.00 -0.64 1.16 -1.25 0.70 0.00 0.00 175.22 175.19 2d8k s PRO 86 N 2.39 3.73 0.16 0.24 0.04 -1.26 -4.69 135.00 135.60 2d8k s PRO 86 Ca 0.08 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 2d8k s PRO 86 Cb -0.16 -2.37 0.06 0.00 0.04 0.00 0.00 34.50 32.07 2d8k s PRO 86 CO -0.13 -0.57 1.62 -0.92 0.04 0.00 0.00 177.00 177.03 2d8k h TYR 87 N 1.98 -0.68 -0.44 0.56 5.03 -1.92 0.41 116.97 121.91 2d8k h TYR 87 Ca -0.49 0.05 0.13 0.00 2.58 0.00 0.00 58.73 60.99 2d8k h TYR 87 Cb 1.25 0.35 -0.02 0.00 1.55 0.00 0.00 36.73 39.86 2d8k h TYR 87 CO 0.53 -0.33 0.79 1.05 -1.32 0.00 0.00 178.16 178.88 2d8k h GLU 88 N -0.22 0.00 0.00 1.82 4.11 -2.01 -1.37 114.58 116.91 2d8k h GLU 88 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2d8k h GLU 88 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2d8k h GLU 88 CO -0.46 0.00 -0.96 1.63 0.07 0.00 0.00 179.01 179.29 2d8k n LYS 89 N -3.13 0.52 -0.65 1.06 5.02 0.11 -4.28 118.16 116.80 2d8k n LYS 89 Ca 0.09 0.22 0.49 0.00 -2.02 0.00 0.00 58.31 57.09 2d8k n LYS 89 Cb 0.95 -1.43 0.76 0.00 -0.02 0.00 0.00 35.03 35.29 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 -4.43 -0.02 -0.09 -0.18 3.14 0.92 0.21 118.33 117.88 2d8k n VAL 90 Ca -0.13 1.41 -0.13 0.00 -2.96 0.00 0.00 64.34 62.53 2d8k n VAL 90 Cb 0.50 -2.35 -0.05 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 1.31 0.00 1.55 -1.51 -1.48 -2.74 116.25 113.37 2d8k h VAL 91 Ca 0.87 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2d8k h VAL 91 Cb 3.46 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 34.23 2d8k h VAL 91 CO -0.04 0.43 0.00 0.00 -1.23 0.00 0.00 177.57 176.73 2d8k n GLN 92 N -4.36 0.11 -2.49 5.19 6.02 0.56 -3.03 117.38 119.38 2d8k n GLN 92 Ca -0.04 0.53 -0.25 0.00 -0.01 0.00 0.00 57.00 57.23 2d8k n GLN 92 Cb 0.42 -1.81 0.13 0.00 1.02 0.00 0.00 30.24 30.00 2d8k n GLN 92 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d8k s ARG 93 N -3.34 1.39 -0.02 -1.09 1.81 -1.03 -4.84 118.95 111.82 2d8k s ARG 93 Ca 0.00 -1.07 0.01 0.00 -1.72 0.00 0.00 55.73 52.95 2d8k s ARG 93 Cb 0.06 -2.24 0.01 0.00 -0.45 0.00 0.00 34.95 32.33 2d8k s ARG 93 CO 0.21 -1.69 -0.03 0.42 -0.68 0.00 0.00 175.30 173.53 2d8k s ILE 94 N -3.30 0.33 -0.25 1.52 1.01 -0.51 -3.04 121.20 116.96 2d8k s ILE 94 Ca 0.69 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 2d8k s ILE 94 Cb -0.04 -0.35 -0.00 0.00 0.01 0.00 0.00 42.46 42.07 2d8k s ILE 94 CO 0.46 0.14 1.26 -0.22 0.00 0.00 0.00 174.94 176.59 2d8k s LEU 95 N 0.52 4.00 -0.19 2.97 2.96 0.15 -2.66 118.68 126.43 2d8k s LEU 95 Ca -0.06 1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 55.19 2d8k s LEU 95 Cb -0.09 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 2d8k s LEU 95 CO -0.01 -0.94 -0.07 -0.47 -1.32 0.00 0.00 176.35 173.55 2d8k s TYR 96 N 3.98 2.92 -0.15 5.38 5.04 -0.70 -1.92 117.35 131.90 2d8k s TYR 96 Ca 0.54 -0.86 -0.00 0.00 -2.44 0.00 0.00 57.07 54.31 2d8k s TYR 96 Cb -0.18 -2.03 0.04 0.00 0.35 0.00 0.00 41.96 40.14 2d8k s TYR 96 CO 0.19 -0.45 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.36 2d8k s LEU 97 N 1.14 1.56 -0.12 6.97 1.43 -0.85 -1.16 118.68 127.65 2d8k s LEU 97 Ca 0.01 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 2d8k s LEU 97 Cb -0.14 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.14 2d8k s LEU 97 CO -0.02 -0.15 -0.22 -1.58 0.23 0.00 0.00 176.35 174.62 2d8k s GLN 98 N 1.62 2.91 -0.52 1.70 0.74 -0.84 -0.75 119.66 124.51 2d8k s GLN 98 Ca 0.02 -0.82 -0.12 0.00 0.05 0.00 0.00 55.36 54.49 2d8k s GLN 98 Cb -0.14 -2.28 0.13 0.00 1.10 0.00 0.00 33.01 31.81 2d8k s GLN 98 CO -0.08 0.07 0.43 0.08 -0.55 0.00 0.00 175.29 175.24 2d8k s VAL 99 N 0.61 4.69 0.30 1.34 1.01 -0.72 -0.14 120.40 127.49 2d8k s VAL 99 Ca -0.13 -1.73 0.08 0.00 0.00 0.00 0.00 61.98 60.20 2d8k s VAL 99 Cb -0.17 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2d8k s VAL 99 CO 0.03 -0.83 0.17 -0.76 0.00 0.00 0.00 175.10 173.71 2d8k s LEU 100 N 1.37 3.49 -0.39 3.92 1.02 -0.27 -3.32 118.68 124.49 2d8k s LEU 100 Ca 0.05 -0.53 -0.07 0.00 0.02 0.00 0.00 54.13 53.60 2d8k s LEU 100 Cb -0.27 -2.03 0.07 0.00 0.02 0.00 0.00 46.19 43.99 2d8k s LEU 100 CO 0.00 -0.19 0.20 1.51 0.02 0.00 0.00 176.35 177.90 2d8k s ASP 101 N -3.85 5.48 -0.38 2.29 1.47 -1.22 0.19 116.67 120.64 2d8k s ASP 101 Ca 0.36 -1.47 -0.28 0.00 1.18 0.00 0.00 52.55 52.34 2d8k s ASP 101 Cb -0.06 -1.93 -0.07 0.00 -0.34 0.00 0.00 42.92 40.52 2d8k s ASP 101 CO 0.24 -0.47 2.32 0.00 0.68 0.00 0.00 175.17 177.93 2d8k n TYR 102 N 4.84 1.64 -4.34 2.11 4.19 0.25 -4.35 117.16 121.50 2d8k n TYR 102 Ca -0.10 0.05 -0.26 0.00 3.31 0.00 0.00 57.90 60.90 2d8k n TYR 102 Cb 0.43 -2.65 -0.09 0.00 0.49 0.00 0.00 39.34 37.52 2d8k n TYR 102 CO 0.00 0.00 0.00 0.16 0.91 0.00 0.00 176.86 177.93 2d8k s ASP 103 N 9.78 4.09 -0.12 2.98 1.47 -1.26 -4.58 116.67 129.02 2d8k s ASP 103 Ca 1.03 -0.70 -0.07 0.00 1.18 0.00 0.00 52.55 53.99 2d8k s ASP 103 Cb -0.39 -0.61 -0.02 0.00 -0.34 0.00 0.00 42.92 41.56 2d8k s ASP 103 CO 0.34 0.08 -0.14 -0.09 0.68 0.00 0.00 175.17 176.04 2d8k h ARG 104 N 2.69 0.00 -0.40 2.11 1.12 -1.92 -3.40 114.38 114.58 2d8k h ARG 104 Ca -0.45 0.00 0.08 0.00 -1.11 0.00 0.00 59.98 58.49 2d8k h ARG 104 Cb 1.22 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 31.09 2d8k h ARG 104 CO 0.55 0.00 -0.35 0.74 -3.11 0.00 0.00 179.97 177.80 2d8k h PHE 105 N -0.92 -0.99 -3.38 2.20 0.04 -2.02 -3.40 116.94 108.47 2d8k h PHE 105 Ca 0.00 0.06 -0.55 0.00 2.80 0.00 0.00 57.97 60.28 2d8k h PHE 105 Cb 0.41 0.49 -0.04 0.00 2.20 0.00 0.00 35.95 39.01 2d8k h PHE 105 CO -0.17 -0.40 -0.08 0.45 -0.60 0.00 0.00 178.31 177.50 2d8k s SER 106 N -5.06 6.77 0.07 2.17 0.15 -1.26 -5.02 113.70 111.51 2d8k s SER 106 Ca -0.15 1.04 -0.37 0.00 0.70 0.00 0.00 55.95 57.17 2d8k s SER 106 Cb 0.13 -2.27 -0.20 0.00 -1.71 0.00 0.00 66.02 61.97 2d8k s SER 106 CO 0.67 0.04 1.57 0.03 1.20 0.00 0.00 173.24 176.74 2d8k h ARG 107 N 3.20 -1.23 -1.58 5.44 2.47 -1.83 -3.40 114.38 117.45 2d8k h ARG 107 Ca -0.48 0.08 0.12 0.00 -1.26 0.00 0.00 59.98 58.44 2d8k h ARG 107 Cb 1.19 0.28 -0.22 0.00 -1.65 0.00 0.00 29.97 29.57 2d8k h ARG 107 CO 0.67 -0.82 0.00 -0.80 0.56 0.00 0.00 179.97 179.58 2d8k s ASN 108 N -4.08 -0.93 -0.69 7.04 0.01 -1.26 -4.68 114.94 110.35 2d8k s ASN 108 Ca -0.19 1.25 -0.09 0.00 -0.71 0.00 0.00 52.86 53.12 2d8k s ASN 108 Cb 0.03 2.05 0.18 0.00 0.41 0.00 0.00 41.25 43.91 2d8k s ASN 108 CO 0.60 -0.18 0.57 -1.81 -1.51 0.00 0.00 177.10 174.77 2d8k s ASP 109 N 2.73 6.00 -0.27 -1.22 1.01 -1.26 -5.05 116.67 118.61 2d8k s ASP 109 Ca -0.04 -2.61 -0.29 0.00 0.71 0.00 0.00 52.55 50.32 2d8k s ASP 109 Cb -0.10 -2.04 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 2d8k s ASP 109 CO -0.18 -0.52 1.64 -2.16 0.21 0.00 0.00 175.17 174.15 2d8k s PRO 110 N 0.30 3.66 -0.04 8.23 0.04 -1.26 -3.45 135.00 142.48 2d8k s PRO 110 Ca 0.15 1.53 -0.10 0.00 0.04 0.00 0.00 61.00 62.63 2d8k s PRO 110 Cb -0.17 -4.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.24 2d8k s PRO 110 CO -0.05 -1.46 0.47 0.82 0.04 0.00 0.00 177.00 176.82 2d8k h ILE 111 N 6.34 0.00 -3.19 0.56 2.04 -1.87 -3.41 117.51 117.98 2d8k h ILE 111 Ca -0.33 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2d8k h ILE 111 Cb 1.15 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 2d8k h ILE 111 CO 1.02 0.00 0.10 -0.83 0.00 0.00 0.00 178.15 178.44 2d8k s GLY 112 N -2.71 -0.17 0.12 5.37 0.00 -1.24 -3.38 107.32 105.31 2d8k s GLY 112 Ca -0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 2d8k s GLY 112 CO 0.15 -0.16 0.11 -1.83 0.00 0.00 0.00 173.10 171.37 2d8k s GLU 113 N -3.86 0.93 0.00 2.90 4.04 -0.77 -1.75 118.70 120.19 2d8k s GLU 113 Ca 0.08 -1.30 0.01 0.00 0.04 0.00 0.00 54.97 53.80 2d8k s GLU 113 Cb -0.02 0.28 -0.00 0.00 0.02 0.00 0.00 34.13 34.40 2d8k s GLU 113 CO -0.02 -0.28 -0.03 0.08 -1.84 0.00 0.00 175.26 173.17 2d8k s VAL 114 N -3.99 0.25 -0.10 1.83 1.01 0.07 -1.81 120.40 117.66 2d8k s VAL 114 Ca 0.18 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2d8k s VAL 114 Cb 0.06 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.23 2d8k s VAL 114 CO -0.01 0.03 -0.17 -0.94 0.00 0.00 0.00 175.10 174.01 2d8k s SER 115 N -0.19 2.46 -0.15 3.32 1.04 -1.26 -2.01 113.70 116.91 2d8k s SER 115 Ca 0.00 -0.44 -0.06 0.00 0.48 0.00 0.00 55.95 55.94 2d8k s SER 115 Cb -0.02 -1.12 0.07 0.00 0.10 0.00 0.00 66.02 65.05 2d8k s SER 115 CO -0.00 0.06 0.32 -0.63 0.98 0.00 0.00 173.24 173.96 2d8k s ILE 116 N 0.76 -0.40 -0.02 -1.02 1.01 -0.81 -5.00 121.20 115.72 2d8k s ILE 116 Ca -0.11 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 2d8k s ILE 116 Cb -0.16 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 2d8k s ILE 116 CO 0.02 0.09 1.47 -2.16 0.00 0.00 0.00 174.94 174.36 2d8k s PRO 117 N 2.23 4.25 0.03 2.79 0.04 -1.26 0.34 135.00 143.40 2d8k s PRO 117 Ca -0.02 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.10 2d8k s PRO 117 Cb -0.11 -3.69 0.26 0.00 0.04 0.00 0.00 34.50 31.00 2d8k s PRO 117 CO -0.10 -0.67 1.18 1.28 0.04 0.00 0.00 177.00 178.73 2d8k n LEU 118 N 5.91 0.05 0.11 -3.56 4.77 -1.17 -1.13 117.00 121.99 2d8k n LEU 118 Ca 0.14 0.52 0.01 0.00 -0.03 0.00 0.00 56.01 56.65 2d8k n LEU 118 Cb 0.43 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 2d8k n LEU 118 CO 0.60 -0.46 0.33 -1.13 -1.33 0.00 0.00 177.39 175.39 2d8k h ASN 119 N 0.00 0.00 0.17 -1.43 -1.24 -1.75 -3.33 115.58 108.00 2d8k h ASN 119 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.72 2d8k h ASN 119 Cb 0.07 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.14 2d8k h ASN 119 CO 0.00 0.59 -1.36 0.11 -1.29 0.00 0.00 177.43 175.48 2d8k h LYS 120 N 0.00 0.36 -6.60 6.67 1.79 -1.46 -3.46 116.57 113.88 2d8k h LYS 120 Ca -0.02 -0.62 -0.53 0.00 -2.18 0.00 0.00 60.65 57.30 2d8k h LYS 120 Cb 1.47 0.23 0.03 0.00 -1.58 0.00 0.00 32.23 32.38 2d8k h LYS 120 CO 0.07 1.30 0.69 0.54 -1.08 0.00 0.00 179.45 180.97 2d8k s VAL 121 N -2.52 3.27 -0.94 0.50 0.11 -1.16 -4.87 120.40 114.80 2d8k s VAL 121 Ca -0.15 0.96 -0.26 0.00 -2.93 0.00 0.00 61.98 59.60 2d8k s VAL 121 Cb 0.04 -3.61 -0.22 0.00 -1.53 0.00 0.00 36.38 31.05 2d8k s VAL 121 CO 0.84 0.10 1.99 0.47 -3.33 0.00 0.00 175.10 175.18 2d8k n ASP 122 N 3.42 1.71 0.13 3.54 8.00 -1.26 -4.66 116.55 127.43 2d8k n ASP 122 Ca 0.09 -2.55 0.08 0.00 0.71 0.00 0.00 54.79 53.13 2d8k n ASP 122 Cb 0.42 -1.53 0.45 0.00 -0.02 0.00 0.00 41.12 40.44 2d8k n ASP 122 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2d8k n LEU 123 N 16.67 0.43 0.32 0.64 4.77 -1.26 -1.69 117.00 136.87 2d8k n LEU 123 Ca 0.43 0.68 0.19 0.00 -0.03 0.00 0.00 56.01 57.29 2d8k n LEU 123 Cb 0.46 -0.73 1.03 0.00 -2.33 0.00 0.00 43.42 41.85 2d8k n LEU 123 CO 0.72 -0.83 1.16 0.71 -1.33 0.00 0.00 177.39 177.82 2d8k h THR 124 N 0.00 0.09 -3.02 -5.08 1.35 -1.83 -2.63 112.91 101.79 2d8k h THR 124 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2d8k h THR 124 Cb 0.08 0.87 -0.11 0.00 -1.73 0.00 0.00 68.15 67.26 2d8k h THR 124 CO 0.00 0.00 0.20 0.00 -0.25 0.00 0.00 175.52 175.47 2d8k s GLN 125 N -4.22 1.38 0.19 4.72 -2.07 -0.68 -4.95 119.66 114.03 2d8k s GLN 125 Ca -0.04 -0.60 -0.32 0.00 -1.82 0.00 0.00 55.36 52.58 2d8k s GLN 125 Cb 0.12 0.59 -0.11 0.00 -1.09 0.00 0.00 33.01 32.52 2d8k s GLN 125 CO 0.39 -0.61 1.68 1.41 -1.32 0.00 0.00 175.29 176.84 2d8k s MET 126 N -3.79 4.15 -0.04 9.60 -2.45 -1.26 -4.51 119.30 121.01 2d8k s MET 126 Ca 0.03 2.53 -0.01 0.00 -1.25 0.00 0.00 55.69 56.99 2d8k s MET 126 Cb -0.02 -3.12 0.03 0.00 1.25 0.00 0.00 34.83 32.98 2d8k s MET 126 CO -0.08 -0.71 0.07 -0.65 1.05 0.00 0.00 175.02 174.70 2d8k s GLN 127 N 1.23 0.00 0.63 4.11 -1.52 0.72 -4.94 119.66 119.88 2d8k s GLN 127 Ca 0.73 0.28 -0.07 0.00 -1.95 0.00 0.00 55.36 54.35 2d8k s GLN 127 Cb -0.48 -0.25 0.01 0.00 -0.22 0.00 0.00 33.01 32.08 2d8k s GLN 127 CO 0.32 -0.19 0.95 0.99 -0.25 0.00 0.00 175.29 177.12 2d8k s THR 128 N 1.24 3.50 -0.14 -0.19 2.01 -1.26 -0.78 115.64 120.02 2d8k s THR 128 Ca -0.08 0.08 -0.19 0.00 0.31 0.00 0.00 61.69 61.82 2d8k s THR 128 Cb -0.12 -3.42 0.05 0.00 0.01 0.00 0.00 72.50 69.01 2d8k s THR 128 CO -0.04 -0.46 0.49 -0.36 -0.69 0.00 0.00 174.62 173.56 2d8k s PHE 129 N -3.09 -0.50 -0.31 4.92 0.08 -1.02 -4.94 117.98 113.12 2d8k s PHE 129 Ca 0.55 1.14 0.02 0.00 0.12 0.00 0.00 56.93 58.76 2d8k s PHE 129 Cb -0.11 0.20 0.09 0.00 -0.57 0.00 0.00 43.02 42.63 2d8k s PHE 129 CO 0.47 -0.33 0.03 -1.58 -0.10 0.00 0.00 175.22 173.70 2d8k s TRP 130 N -0.20 2.97 0.13 0.36 0.52 -1.26 -3.47 118.94 117.99 2d8k s TRP 130 Ca -0.04 -2.41 0.11 0.00 0.02 0.00 0.00 56.10 53.78 2d8k s TRP 130 Cb -0.03 -2.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.95 2d8k s TRP 130 CO 0.03 -0.89 -0.26 0.15 0.02 0.00 0.00 176.95 175.99 2d8k s LYS 131 N 1.18 1.37 -0.50 4.98 -0.14 -1.22 -5.01 119.74 120.39 2d8k s LYS 131 Ca 0.06 -1.33 -0.21 0.00 -1.36 0.00 0.00 55.97 53.13 2d8k s LYS 131 Cb -0.19 -1.83 0.04 0.00 -1.68 0.00 0.00 37.83 34.17 2d8k s LYS 131 CO -0.11 0.43 0.71 0.16 -0.76 0.00 0.00 175.35 175.78 2d8k s ASP 132 N -2.05 6.28 -0.73 2.83 -4.77 -1.26 -1.30 116.67 115.67 2d8k s ASP 132 Ca 0.13 -0.61 -0.22 0.00 -3.30 0.00 0.00 52.55 48.55 2d8k s ASP 132 Cb -0.10 -2.33 -0.17 0.00 -1.09 0.00 0.00 42.92 39.23 2d8k s ASP 132 CO 0.06 -0.94 1.94 0.18 0.70 0.00 0.00 175.17 177.10 2d8k n LEU 133 N 6.52 0.13 -4.59 2.11 4.77 -0.78 -4.80 117.00 120.35 2d8k n LEU 133 Ca -0.03 0.10 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 2d8k n LEU 133 Cb 0.47 -0.65 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2d8k n LEU 133 CO 0.56 -0.56 0.46 0.29 -1.33 0.00 0.00 177.39 176.82 2d8k n LYS 134 N 6.04 0.11 -2.04 3.23 4.76 -0.75 -4.53 118.16 124.98 2d8k n LYS 134 Ca 0.48 0.10 -0.33 0.00 -2.87 0.00 0.00 58.31 55.69 2d8k n LYS 134 Cb 0.03 -2.20 -0.04 0.00 -1.84 0.00 0.00 35.03 30.98 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 -3.74 2.59 0.00 1.97 0.04 -1.26 -1.85 135.00 132.75 2d8k s PRO 135 Ca 0.69 0.22 0.13 0.00 0.04 0.00 0.00 61.00 62.08 2d8k s PRO 135 Cb -0.29 -4.69 0.73 0.00 0.04 0.00 0.00 34.50 30.30 2d8k s PRO 135 CO 0.55 -3.03 1.28 0.43 0.04 0.00 0.00 177.00 176.28 2d8k n SER 136 N 13.33 0.00 0.00 6.66 7.64 -1.22 -4.91 113.62 135.12 2d8k n SER 136 Ca 0.29 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2d8k n SER 136 Cb 0.50 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.17 2.68 1.21 0.23 0.00 -1.26 -5.03 105.19 102.85 2d8k n GLY 137 Ca 0.08 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 2d8k n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8k n PRO 138 N 1.13 -1.77 -3.11 1.61 -0.04 -1.26 -4.74 135.00 126.81 2d8k n PRO 138 Ca 0.00 -0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 62.44 2d8k n PRO 138 Cb 0.00 -0.57 -0.07 0.00 -0.04 0.00 0.00 33.50 32.83 2d8k n PRO 138 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d8k s SER 139 N -2.52 6.38 0.41 3.54 1.04 -1.26 -4.95 113.70 116.34 2d8k s SER 139 Ca 0.24 -0.05 -0.23 0.00 0.48 0.00 0.00 55.95 56.40 2d8k s SER 139 Cb -0.02 -2.32 -0.13 0.00 0.10 0.00 0.00 66.02 63.65 2d8k s SER 139 CO 0.19 -0.66 0.54 -1.54 0.98 0.00 0.00 173.24 172.74 2d8k n SER 140 N 6.13 -0.92 0.00 7.02 3.41 -1.26 -5.22 113.62 122.77 2d8k n SER 140 Ca -0.01 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 2d8k n SER 140 Cb 0.48 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2d8k n SER 140 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49