#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 3.26 -0.00 1.61 0.01 -1.26 -5.01 113.70 112.32 2d8k s SER 2 Ca 0.00 -0.80 -0.20 0.00 1.31 0.00 0.00 55.95 56.26 2d8k s SER 2 Cb 0.00 -1.26 -0.25 0.00 0.21 0.00 0.00 66.02 64.72 2d8k s SER 2 CO 0.00 -0.11 1.07 -1.28 0.41 0.00 0.00 173.24 173.32 2d8k h SER 3 N 7.98 0.55 0.00 2.44 0.87 -2.10 -3.48 113.55 119.81 2d8k h SER 3 Ca -0.31 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.45 2d8k h SER 3 Cb 1.11 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2d8k h SER 3 CO 0.50 1.27 0.00 0.61 -0.53 0.00 0.00 176.83 178.68 2d8k n GLY 4 N 1.18 1.60 3.46 5.77 0.00 -1.26 -5.17 105.19 110.77 2d8k n GLY 4 Ca -0.11 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 2d8k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8k s SER 5 N 0.00 3.73 -0.02 1.61 1.04 -1.26 -5.10 113.70 113.70 2d8k s SER 5 Ca 0.00 -0.60 -0.30 0.00 0.48 0.00 0.00 55.95 55.52 2d8k s SER 5 Cb 0.00 -0.46 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 2d8k s SER 5 CO 0.00 0.18 1.27 -0.55 0.98 0.00 0.00 173.24 175.12 2d8k s SER 6 N -2.08 6.98 0.00 7.02 0.15 -1.26 -4.88 113.70 119.63 2d8k s SER 6 Ca 0.17 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.76 2d8k s SER 6 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2d8k s SER 6 CO 0.09 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2d8k n GLY 7 N 3.45 -0.73 2.94 9.45 0.00 -1.26 -5.15 105.19 113.88 2d8k n GLY 7 Ca 0.11 0.65 -0.29 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 3.27 0.01 1.61 0.15 -1.26 -5.12 113.70 112.35 2d8k s SER 8 Ca 0.00 -0.86 0.08 0.00 0.70 0.00 0.00 55.95 55.87 2d8k s SER 8 Cb 0.00 -1.08 -0.02 0.00 -1.71 0.00 0.00 66.02 63.20 2d8k s SER 8 CO 0.00 -0.18 -0.26 0.00 1.20 0.00 0.00 173.24 174.00 2d8k s ARG 9 N 1.50 2.00 -0.16 5.44 1.70 -1.26 -5.12 118.95 123.05 2d8k s ARG 9 Ca -0.01 -1.00 -0.04 0.00 -0.47 0.00 0.00 55.73 54.21 2d8k s ARG 9 Cb -0.16 -2.02 0.08 0.00 -0.57 0.00 0.00 34.95 32.27 2d8k s ARG 9 CO -0.08 0.54 0.22 -1.83 -1.08 0.00 0.00 175.30 173.07 2d8k s GLU 10 N -0.87 0.14 -1.38 3.89 1.03 -1.26 -5.07 118.70 115.19 2d8k s GLU 10 Ca 0.11 0.42 -0.14 0.00 0.03 0.00 0.00 54.97 55.38 2d8k s GLU 10 Cb -0.10 -0.71 0.07 0.00 -0.80 0.00 0.00 34.13 32.59 2d8k s GLU 10 CO 0.00 -0.49 2.02 0.09 -1.33 0.00 0.00 175.26 175.55 2d8k n ASN 11 N 5.33 4.38 0.16 0.83 3.02 -1.26 -4.69 115.26 123.03 2d8k n ASN 11 Ca -0.05 -2.91 0.01 0.00 -0.03 0.00 0.00 54.58 51.60 2d8k n ASN 11 Cb 0.50 -1.65 0.28 0.00 -0.61 0.00 0.00 39.78 38.29 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2d8k h LEU 12 N 10.31 0.00 0.00 3.41 -0.00 -1.80 -3.39 115.31 123.84 2d8k h LEU 12 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.38 2d8k h LEU 12 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2d8k h LEU 12 CO 1.71 0.48 0.00 0.61 -0.00 0.00 0.00 178.44 181.24 2d8k n GLY 13 N -0.13 -0.18 3.36 0.83 0.00 -0.88 -4.23 105.19 103.95 2d8k n GLY 13 Ca -0.02 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.01 1.61 1.70 -0.78 -2.47 118.95 120.00 2d8k s ARG 14 Ca 0.00 -0.33 0.05 0.00 -0.47 0.00 0.00 55.73 54.98 2d8k s ARG 14 Cb 0.00 0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 2d8k s ARG 14 CO 0.00 -0.36 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.21 2d8k s ILE 15 N -2.59 1.19 -0.30 4.99 2.07 -0.66 -2.53 121.20 123.37 2d8k s ILE 15 Ca -0.05 -0.67 -0.01 0.00 -1.41 0.00 0.00 60.65 58.51 2d8k s ILE 15 Cb -0.01 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.65 2d8k s ILE 15 CO -0.03 0.31 0.00 -1.58 -1.91 0.00 0.00 174.94 171.73 2d8k s GLN 16 N -0.42 2.34 0.04 3.50 0.74 -1.13 -3.27 119.66 121.46 2d8k s GLN 16 Ca 0.06 -1.34 0.05 0.00 0.05 0.00 0.00 55.36 54.17 2d8k s GLN 16 Cb -0.06 -3.18 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 2d8k s GLN 16 CO -0.00 -0.66 -0.13 -0.59 -0.55 0.00 0.00 175.29 173.35 2d8k s PHE 17 N 1.21 1.17 -0.07 1.67 -0.71 -1.21 -1.02 117.98 119.02 2d8k s PHE 17 Ca -0.04 -0.36 0.00 0.00 -1.04 0.00 0.00 56.93 55.49 2d8k s PHE 17 Cb -0.20 -0.69 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 2d8k s PHE 17 CO -0.02 0.03 -0.06 0.45 -1.34 0.00 0.00 175.22 174.28 2d8k s SER 18 N -1.16 4.71 -0.07 1.98 0.15 0.60 -2.75 113.70 117.15 2d8k s SER 18 Ca 0.01 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.68 2d8k s SER 18 Cb -0.08 -1.23 -0.02 0.00 -1.71 0.00 0.00 66.02 62.98 2d8k s SER 18 CO 0.01 0.36 -0.15 -0.69 1.20 0.00 0.00 173.24 173.96 2d8k s VAL 19 N -0.77 2.93 -0.30 4.45 1.01 -1.02 -1.54 120.40 125.16 2d8k s VAL 19 Ca 0.12 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 2d8k s VAL 19 Cb -0.11 -2.16 0.14 0.00 0.00 0.00 0.00 36.38 34.25 2d8k s VAL 19 CO 0.02 0.57 0.78 -0.83 0.00 0.00 0.00 175.10 175.64 2d8k s GLY 20 N -0.40 -0.53 0.27 4.51 0.00 -0.82 -1.32 107.32 109.02 2d8k s GLY 20 Ca 0.04 2.60 -0.04 0.00 0.00 0.00 0.00 44.72 47.32 2d8k s GLY 20 CO 0.02 3.15 0.52 -0.47 0.00 0.00 0.00 173.10 176.31 2d8k s TYR 21 N 2.73 3.48 -0.26 1.90 5.04 -1.03 -1.16 117.35 128.05 2d8k s TYR 21 Ca -0.04 0.58 0.02 0.00 -2.44 0.00 0.00 57.07 55.19 2d8k s TYR 21 Cb -0.10 -2.05 0.06 0.00 0.35 0.00 0.00 41.96 40.22 2d8k s TYR 21 CO -0.18 0.22 -0.11 1.21 -1.34 0.00 0.00 175.55 175.35 2d8k s ASN 22 N -3.14 4.41 0.47 4.32 2.47 0.13 -4.77 114.94 118.83 2d8k s ASN 22 Ca 0.43 -1.34 0.22 0.00 0.42 0.00 0.00 52.86 52.58 2d8k s ASN 22 Cb -0.11 -1.56 1.15 0.00 -1.45 0.00 0.00 41.25 39.28 2d8k s ASN 22 CO 0.29 -0.18 1.97 -0.26 -3.72 0.00 0.00 177.10 175.20 2d8k h PHE 23 N 7.80 0.00 0.00 0.43 -1.00 -1.95 -0.76 116.94 121.46 2d8k h PHE 23 Ca -0.21 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.57 2d8k h PHE 23 Cb 1.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.61 2d8k h PHE 23 CO 0.63 0.20 0.00 1.04 -1.61 0.00 0.00 178.31 178.57 2d8k n GLN 24 N -3.78 0.00 -1.02 1.51 6.02 -1.26 -2.91 117.38 115.94 2d8k n GLN 24 Ca -0.02 0.77 -0.14 0.00 -0.01 0.00 0.00 57.00 57.61 2d8k n GLN 24 Cb 0.31 -1.49 0.19 0.00 1.02 0.00 0.00 30.24 30.27 2d8k n GLN 24 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2d8k n GLU 25 N -2.53 2.05 -4.04 -1.09 1.02 -1.24 -4.94 120.64 109.87 2d8k n GLU 25 Ca 0.00 -3.11 -0.31 0.00 -0.02 0.00 0.00 57.16 53.73 2d8k n GLU 25 Cb 0.00 -2.00 -0.05 0.00 -0.02 0.00 0.00 31.44 29.37 2d8k n GLU 25 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2d8k n SER 26 N -1.13 -0.51 -4.30 1.62 3.41 -0.39 -4.81 113.62 107.51 2d8k n SER 26 Ca 0.47 -1.09 -0.26 0.00 -0.26 0.00 0.00 58.87 57.73 2d8k n SER 26 Cb 1.36 -1.34 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 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 -4.05 1.82 0.19 6.66 2.01 -0.64 -4.19 115.64 117.45 2d8k s THR 27 Ca 0.13 -1.49 -0.01 0.00 0.31 0.00 0.00 61.69 60.63 2d8k s THR 27 Cb -0.07 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2d8k s THR 27 CO 0.84 0.06 0.38 -0.22 -0.69 0.00 0.00 174.62 174.99 2d8k s LEU 28 N -1.72 4.23 -0.17 4.42 2.96 -1.14 0.18 118.68 127.44 2d8k s LEU 28 Ca 0.08 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.39 2d8k s LEU 28 Cb -0.10 -3.19 0.05 0.00 0.50 0.00 0.00 46.19 43.46 2d8k s LEU 28 CO 0.04 -0.02 0.04 -0.89 -1.32 0.00 0.00 176.35 174.19 2d8k s THR 29 N -1.82 0.43 -0.32 3.68 2.01 -0.31 -2.34 115.64 116.97 2d8k s THR 29 Ca 0.39 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 2d8k s THR 29 Cb -0.11 -0.90 0.06 0.00 0.01 0.00 0.00 72.50 71.55 2d8k s THR 29 CO 0.28 -0.14 0.03 -0.69 -0.69 0.00 0.00 174.62 173.41 2d8k s VAL 30 N 1.91 3.10 -0.17 3.82 1.01 -1.18 -1.95 120.40 126.94 2d8k s VAL 30 Ca 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 2d8k s VAL 30 Cb -0.16 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 2d8k s VAL 30 CO -0.08 -0.18 0.17 -0.75 0.00 0.00 0.00 175.10 174.26 2d8k s LYS 31 N 1.25 4.00 -0.77 2.72 2.20 -0.59 -2.61 119.74 125.95 2d8k s LYS 31 Ca -0.03 -0.12 -0.06 0.00 -0.36 0.00 0.00 55.97 55.40 2d8k s LYS 31 Cb -0.20 -3.36 0.20 0.00 -1.51 0.00 0.00 37.83 32.96 2d8k s LYS 31 CO -0.01 0.42 0.64 0.42 -0.36 0.00 0.00 175.35 176.47 2d8k s ILE 32 N -0.02 4.49 0.00 5.43 -1.09 -1.11 -0.29 121.20 128.60 2d8k s ILE 32 Ca 0.12 -3.08 0.00 0.00 -2.23 0.00 0.00 60.65 55.46 2d8k s ILE 32 Cb -0.12 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2d8k s ILE 32 CO 0.01 -0.98 0.67 0.23 -1.23 0.00 0.00 174.94 173.64 2d8k n MET 33 N 3.29 0.00 -3.92 2.79 2.81 -0.19 -0.55 117.12 121.35 2d8k n MET 33 Ca 0.13 0.67 0.01 0.00 -1.81 0.00 0.00 57.70 56.71 2d8k n MET 33 Cb 0.40 -1.12 0.01 0.00 -0.71 0.00 0.00 33.22 31.80 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 -2.01 0.55 0.18 0.03 0.00 -1.23 -1.48 119.74 115.80 2d8k s LYS 34 Ca 0.00 -0.35 0.10 0.00 0.00 0.00 0.00 55.97 55.72 2d8k s LYS 34 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 37.83 37.94 2d8k s LYS 34 CO 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 175.35 174.94 2d8k s ALA 35 N -2.11 2.77 0.11 0.59 0.00 -0.74 -2.82 121.76 119.56 2d8k s ALA 35 Ca 0.26 -1.54 -0.13 0.00 0.00 0.00 0.00 51.96 50.55 2d8k s ALA 35 Cb -0.00 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.57 2d8k s ALA 35 CO -0.00 0.45 0.31 -0.65 0.00 0.00 0.00 175.76 175.87 2d8k s GLN 36 N -2.75 0.98 -1.44 0.00 -0.21 -1.05 -3.98 119.66 111.22 2d8k s GLN 36 Ca 0.23 -0.84 -0.10 0.00 0.02 0.00 0.00 55.36 54.67 2d8k s GLN 36 Cb -0.08 0.41 0.05 0.00 1.00 0.00 0.00 33.01 34.39 2d8k s GLN 36 CO 0.13 -0.36 0.99 0.39 -2.12 0.00 0.00 175.29 174.32 2d8k n GLU 37 N -0.16 -6.10 -3.51 2.91 1.02 -1.26 -1.87 120.64 111.68 2d8k n GLU 37 Ca -0.15 0.67 -0.38 0.00 -0.02 0.00 0.00 57.16 57.29 2d8k n GLU 37 Cb 0.63 -5.56 -0.06 0.00 -0.02 0.00 0.00 31.44 26.43 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 -7.14 4.46 0.73 -4.62 1.43 -1.26 -2.07 118.68 110.21 2d8k s LEU 38 Ca 0.50 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.43 2d8k s LEU 38 Cb -0.24 -2.65 0.04 0.00 0.03 0.00 0.00 46.19 43.36 2d8k s LEU 38 CO 0.80 0.30 1.10 -2.16 0.23 0.00 0.00 176.35 176.62 2d8k s PRO 39 N -1.20 2.45 0.41 1.29 0.04 -1.26 -4.93 135.00 131.80 2d8k s PRO 39 Ca 0.25 1.25 0.07 0.00 0.04 0.00 0.00 61.00 62.61 2d8k s PRO 39 Cb -0.16 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2d8k s PRO 39 CO 0.14 -1.50 0.57 0.00 0.04 0.00 0.00 177.00 176.24 2d8k s ALA 40 N -2.70 4.38 0.06 8.56 0.00 -1.26 -4.73 121.76 126.06 2d8k s ALA 40 Ca 0.63 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2d8k s ALA 40 Cb -0.18 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2d8k s ALA 40 CO 0.51 -0.27 0.00 1.63 0.00 0.00 0.00 175.76 177.63 2d8k n LYS 41 N -1.85 0.00 -1.04 0.00 4.76 -1.08 -4.98 118.16 113.96 2d8k n LYS 41 Ca 0.06 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.21 2d8k n LYS 41 Cb 0.59 -0.25 0.18 0.00 -1.84 0.00 0.00 35.03 33.71 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 -5.15 2.44 0.12 4.39 2.15 -1.02 -4.96 116.67 114.64 2d8k s ASP 42 Ca 0.00 1.33 -0.12 0.00 0.43 0.00 0.00 52.55 54.19 2d8k s ASP 42 Cb 0.00 -2.01 -0.10 0.00 -0.30 0.00 0.00 42.92 40.51 2d8k s ASP 42 CO 0.00 -3.26 1.39 -0.26 -0.17 0.00 0.00 175.17 172.87 2d8k h PHE 43 N -1.98 1.09 -0.42 -5.34 -1.00 -1.99 -3.27 116.94 104.04 2d8k h PHE 43 Ca -0.55 -0.40 0.09 0.00 2.81 0.00 0.00 57.97 59.92 2d8k h PHE 43 Cb 1.32 -0.20 -0.09 0.00 3.61 0.00 0.00 35.95 40.59 2d8k h PHE 43 CO 0.31 1.23 -0.27 1.03 -1.61 0.00 0.00 178.31 179.00 2d8k h SER 44 N 0.64 -0.92 0.00 2.17 0.87 -2.04 -3.45 113.55 110.82 2d8k h SER 44 Ca 0.01 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2d8k h SER 44 Cb 1.17 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2d8k h SER 44 CO 0.12 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.75 2d8k n GLY 45 N -1.41 0.55 3.31 5.77 0.00 -1.23 -5.16 105.19 107.01 2d8k n GLY 45 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.69 0.00 0.25 2.61 -1.32 -1.26 -4.91 115.64 110.32 2d8k s THR 46 Ca 0.00 -1.87 -0.18 0.00 -1.21 0.00 0.00 61.69 58.43 2d8k s THR 46 Cb 0.00 -2.48 0.02 0.00 -1.51 0.00 0.00 72.50 68.53 2d8k s THR 46 CO 0.00 0.00 0.61 -0.94 -2.21 0.00 0.00 174.62 172.08 2d8k s SER 47 N -3.20 -0.23 -0.93 8.08 1.04 -1.26 -2.44 113.70 114.76 2d8k s SER 47 Ca 0.36 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 2d8k s SER 47 Cb 0.04 0.65 0.29 0.00 0.10 0.00 0.00 66.02 67.10 2d8k s SER 47 CO 0.17 -1.21 1.23 0.47 0.98 0.00 0.00 173.24 174.87 2d8k n ASP 48 N -0.41 5.52 -4.75 7.02 8.00 -1.26 -2.37 116.55 128.30 2d8k n ASP 48 Ca -0.05 -3.42 -0.41 0.00 0.71 0.00 0.00 54.79 51.62 2d8k n ASP 48 Cb 0.61 -1.07 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 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 -2.67 4.42 -0.06 -0.24 0.04 -1.26 -1.56 135.00 133.67 2d8k s PRO 49 Ca 0.34 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.37 2d8k s PRO 49 Cb 0.08 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.47 2d8k s PRO 49 CO 0.06 -0.15 0.17 -0.59 0.04 0.00 0.00 177.00 176.53 2d8k s PHE 50 N -0.43 -0.17 0.27 0.56 -0.12 0.04 -3.59 117.98 114.54 2d8k s PHE 50 Ca 0.52 0.42 -0.14 0.00 -0.05 0.00 0.00 56.93 57.68 2d8k s PHE 50 Cb -0.36 0.06 -0.08 0.00 -0.63 0.00 0.00 43.02 42.00 2d8k s PHE 50 CO 0.42 -0.11 0.68 0.08 -0.05 0.00 0.00 175.22 176.24 2d8k s VAL 51 N -0.04 4.73 -0.11 -2.49 1.01 -1.26 -1.75 120.40 120.49 2d8k s VAL 51 Ca -0.01 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 62.81 2d8k s VAL 51 Cb -0.02 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.76 2d8k s VAL 51 CO 0.00 -0.07 0.13 -0.75 0.00 0.00 0.00 175.10 174.41 2d8k s LYS 52 N -2.73 0.03 -0.06 2.72 2.20 -0.40 -0.90 119.74 120.60 2d8k s LYS 52 Ca 0.50 0.30 -0.17 0.00 -0.36 0.00 0.00 55.97 56.23 2d8k s LYS 52 Cb -0.12 -0.87 -0.05 0.00 -1.51 0.00 0.00 37.83 35.28 2d8k s LYS 52 CO 0.19 -0.46 0.46 0.42 -0.36 0.00 0.00 175.35 175.60 2d8k s ILE 53 N 2.23 5.10 -0.06 5.43 1.01 0.32 -1.83 121.20 133.40 2d8k s ILE 53 Ca 0.04 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.62 2d8k s ILE 53 Cb -0.14 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.57 2d8k s ILE 53 CO -0.07 0.43 0.00 -0.31 0.00 0.00 0.00 174.94 174.99 2d8k s TYR 54 N -0.06 0.56 -0.25 3.97 2.02 0.31 -1.80 117.35 122.10 2d8k s TYR 54 Ca 0.25 -0.10 -0.21 0.00 -0.37 0.00 0.00 57.07 56.64 2d8k s TYR 54 Cb -0.16 -0.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.70 2d8k s TYR 54 CO 0.12 -0.26 0.66 -0.51 -1.57 0.00 0.00 175.55 173.99 2d8k s LEU 55 N 1.66 4.07 0.18 -1.29 1.43 -1.26 -1.84 118.68 121.64 2d8k s LEU 55 Ca -0.00 0.76 0.09 0.00 -1.03 0.00 0.00 54.13 53.95 2d8k s LEU 55 Cb -0.13 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2d8k s LEU 55 CO -0.04 -0.39 -0.08 -0.76 0.23 0.00 0.00 176.35 175.32 2d8k s LEU 56 N 2.52 3.03 -0.02 1.79 1.43 -1.16 -2.49 118.68 123.78 2d8k s LEU 56 Ca 0.28 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.56 2d8k s LEU 56 Cb -0.15 -1.70 -0.20 0.00 0.03 0.00 0.00 46.19 44.17 2d8k s LEU 56 CO 0.08 0.10 1.23 1.55 0.23 0.00 0.00 176.35 179.54 2d8k h PRO 57 N 2.83 -0.06 -5.06 1.29 0.13 -1.91 -2.05 132.00 127.17 2d8k h PRO 57 Ca -0.47 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.37 2d8k h PRO 57 Cb 1.21 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 2d8k h PRO 57 CO 0.55 0.41 1.68 -3.47 -0.23 0.00 0.00 178.00 176.93 2d8k n ASP 58 N -4.89 -0.87 -2.10 1.44 2.03 -1.25 -4.71 116.55 106.20 2d8k n ASP 58 Ca -0.08 -0.71 -0.17 0.00 0.52 0.00 0.00 54.79 54.35 2d8k n ASP 58 Cb 0.25 -0.74 -0.08 0.00 -0.72 0.00 0.00 41.12 39.83 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 6.12 1.99 -0.08 -0.67 5.02 -1.04 -4.28 118.16 125.23 2d8k n LYS 59 Ca 0.64 -1.44 -0.08 0.00 -2.02 0.00 0.00 58.31 55.42 2d8k n LYS 59 Cb 0.19 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.30 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 1.49 0.45 -2.65 1.97 3.00 -1.26 -4.78 118.16 116.39 2d8k n LYS 60 Ca 0.38 0.19 -0.42 0.00 -0.00 0.00 0.00 58.31 58.46 2d8k n LYS 60 Cb 0.69 -1.31 -0.02 0.00 0.00 0.00 0.00 35.03 34.39 2d8k n LYS 60 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2d8k s HIS 61 N -2.63 2.78 0.14 5.64 3.76 -1.26 -4.95 115.29 118.77 2d8k s HIS 61 Ca -0.25 -1.31 0.08 0.00 -0.15 0.00 0.00 55.06 53.44 2d8k s HIS 61 Cb 0.03 -4.63 -0.04 0.00 1.11 0.00 0.00 32.58 29.05 2d8k s HIS 61 CO 0.36 -1.79 -0.19 -1.59 -0.85 0.00 0.00 174.74 170.69 2d8k s LYS 62 N 4.10 1.20 0.16 1.40 0.00 -1.26 -4.19 119.74 121.16 2d8k s LYS 62 Ca 0.47 -1.30 0.00 0.00 0.00 0.00 0.00 55.97 55.14 2d8k s LYS 62 Cb 0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 37.83 36.47 2d8k s LYS 62 CO -0.03 0.28 0.04 -0.51 0.00 0.00 0.00 175.35 175.14 2d8k s LEU 63 N -2.36 1.85 0.13 2.77 1.02 -0.74 -5.02 118.68 116.33 2d8k s LEU 63 Ca 0.12 -1.22 -0.09 0.00 0.02 0.00 0.00 54.13 52.95 2d8k s LEU 63 Cb -0.07 0.14 -0.00 0.00 0.02 0.00 0.00 46.19 46.27 2d8k s LEU 63 CO 0.05 -0.67 0.25 -1.83 0.02 0.00 0.00 176.35 174.17 2d8k s GLU 64 N -4.00 1.02 0.26 1.70 1.03 -1.26 0.12 118.70 117.56 2d8k s GLU 64 Ca 0.26 -1.06 0.05 0.00 0.03 0.00 0.00 54.97 54.26 2d8k s GLU 64 Cb 0.07 0.37 -0.03 0.00 -0.80 0.00 0.00 34.13 33.74 2d8k s GLU 64 CO 0.04 -0.36 0.37 0.95 -1.33 0.00 0.00 175.26 174.94 2d8k s THR 65 N -3.91 4.99 0.95 1.83 -4.23 -0.08 -4.96 115.64 110.23 2d8k s THR 65 Ca 0.11 -1.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.51 2d8k s THR 65 Cb 0.04 -3.75 0.16 0.00 1.34 0.00 0.00 72.50 70.29 2d8k s THR 65 CO -0.05 -0.30 1.12 -0.54 -0.54 0.00 0.00 174.62 174.31 2d8k s LYS 66 N -4.01 0.78 -0.27 3.99 -0.14 -1.26 -4.42 119.74 114.41 2d8k s LYS 66 Ca 0.36 1.39 -0.09 0.00 -1.36 0.00 0.00 55.97 56.27 2d8k s LYS 66 Cb -0.09 -1.71 -0.04 0.00 -1.68 0.00 0.00 37.83 34.31 2d8k s LYS 66 CO 0.29 -2.74 0.13 0.54 -0.76 0.00 0.00 175.35 172.81 2d8k s VAL 67 N -2.64 4.74 -0.52 3.17 0.11 -1.26 -4.56 120.40 119.44 2d8k s VAL 67 Ca 0.67 -0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 59.45 2d8k s VAL 67 Cb -0.23 -3.25 0.05 0.00 -1.53 0.00 0.00 36.38 31.42 2d8k s VAL 67 CO 0.59 0.28 0.78 -0.54 -3.33 0.00 0.00 175.10 172.88 2d8k s LYS 68 N 1.67 3.25 0.40 1.54 -0.14 -1.24 -5.01 119.74 120.22 2d8k s LYS 68 Ca 0.07 -0.52 -0.24 0.00 -1.36 0.00 0.00 55.97 53.91 2d8k s LYS 68 Cb -0.16 -4.05 -0.09 0.00 -1.68 0.00 0.00 37.83 31.85 2d8k s LYS 68 CO 0.07 -1.31 1.09 1.03 -0.76 0.00 0.00 175.35 175.46 2d8k s ARG 69 N 3.26 4.10 -1.07 1.68 1.81 -1.26 -3.70 118.95 123.78 2d8k s ARG 69 Ca 0.23 1.61 -0.02 0.00 -1.72 0.00 0.00 55.73 55.83 2d8k s ARG 69 Cb -0.15 -2.56 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 2d8k s ARG 69 CO 0.16 -0.22 0.90 1.63 -0.68 0.00 0.00 175.30 177.10 2d8k n LYS 70 N -0.07 -6.01 -3.64 3.54 4.76 -1.24 -4.99 118.16 110.50 2d8k n LYS 70 Ca 0.05 0.73 -0.07 0.00 -2.87 0.00 0.00 58.31 56.15 2d8k n LYS 70 Cb 0.49 -5.40 -0.07 0.00 -1.84 0.00 0.00 35.03 28.21 2d8k n LYS 70 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2d8k s ASN 71 N -3.92 -0.91 -0.12 4.39 0.01 -1.00 -4.91 114.94 108.47 2d8k s ASN 71 Ca 0.14 1.46 0.14 0.00 -0.71 0.00 0.00 52.86 53.89 2d8k s ASN 71 Cb -0.06 1.38 -0.21 0.00 0.41 0.00 0.00 41.25 42.77 2d8k s ASN 71 CO 0.63 -0.23 0.14 0.18 -1.51 0.00 0.00 177.10 176.30 2d8k n LEU 72 N 4.27 0.00 -2.45 0.60 4.77 -1.26 -4.02 117.00 118.91 2d8k n LEU 72 Ca -0.20 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.56 2d8k n LEU 72 Cb 0.59 0.27 0.01 0.00 -2.33 0.00 0.00 43.42 41.96 2d8k n LEU 72 CO -0.02 0.27 0.13 0.59 -1.33 0.00 0.00 177.39 177.04 2d8k n ASN 73 N -2.43 4.11 -4.74 -1.43 3.02 -1.26 -4.14 115.26 108.39 2d8k n ASN 73 Ca -0.19 -3.50 -0.30 0.00 -0.03 0.00 0.00 54.58 50.56 2d8k n ASN 73 Cb 0.84 -0.45 0.11 0.00 -0.61 0.00 0.00 39.78 39.67 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 -3.49 1.78 -0.19 3.52 0.04 -1.26 -4.67 135.00 130.74 2d8k s PRO 74 Ca 0.44 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.50 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 -0.11 -1.93 -0.13 -3.38 0.04 0.00 0.00 177.00 171.49 2d8k s HIS 75 N -2.92 2.49 -0.11 0.56 -3.43 -1.26 -1.80 115.29 108.82 2d8k s HIS 75 Ca 0.62 -1.56 -0.16 0.00 -0.80 0.00 0.00 55.06 53.16 2d8k s HIS 75 Cb -0.18 -1.71 -0.26 0.00 -1.43 0.00 0.00 32.58 29.00 2d8k s HIS 75 CO 0.56 -0.75 0.52 -1.49 -2.00 0.00 0.00 174.74 171.59 2d8k h TRP 76 N 7.97 0.40 -7.04 0.38 6.55 -1.66 -3.48 115.95 119.07 2d8k h TRP 76 Ca -0.34 -0.29 -0.60 0.00 0.95 0.00 0.00 58.89 58.61 2d8k h TRP 76 Cb 1.11 -0.02 -0.30 0.00 -0.86 0.00 0.00 29.16 29.09 2d8k h TRP 76 CO 0.50 1.55 -0.90 0.27 -1.05 0.00 0.00 178.44 178.81 2d8k n ASN 77 N -3.95 -1.73 -4.92 -3.49 0.23 0.29 -4.91 115.26 96.77 2d8k n ASN 77 Ca -0.26 -1.18 -0.28 0.00 -0.53 0.00 0.00 54.58 52.33 2d8k n ASN 77 Cb 0.88 -1.96 -0.03 0.00 -2.08 0.00 0.00 39.78 36.59 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2d8k s GLU 78 N -7.16 3.53 -0.23 -3.83 0.41 -1.25 -4.89 118.70 105.28 2d8k s GLU 78 Ca 0.65 -0.31 -0.02 0.00 -0.41 0.00 0.00 54.97 54.89 2d8k s GLU 78 Cb -0.37 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.16 2d8k s GLU 78 CO 0.99 0.40 -0.06 0.99 -0.49 0.00 0.00 175.26 177.09 2d8k s THR 79 N -1.86 2.98 0.22 3.63 2.01 -1.26 -2.75 115.64 118.61 2d8k s THR 79 Ca 0.39 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 2d8k s THR 79 Cb -0.11 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 2d8k s THR 79 CO 0.29 0.30 0.41 -0.36 -0.69 0.00 0.00 174.62 174.56 2d8k s PHE 80 N 1.37 3.48 -0.04 4.92 0.08 -1.07 -4.97 117.98 121.76 2d8k s PHE 80 Ca 0.02 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.37 2d8k s PHE 80 Cb -0.16 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2d8k s PHE 80 CO -0.05 0.36 0.06 -0.51 -0.10 0.00 0.00 175.22 174.98 2d8k s LEU 81 N -3.49 0.60 -0.37 -0.37 1.43 -1.26 -3.08 118.68 112.14 2d8k s LEU 81 Ca 0.38 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2d8k s LEU 81 Cb -0.11 -0.02 0.08 0.00 0.03 0.00 0.00 46.19 46.18 2d8k s LEU 81 CO 0.30 -0.18 0.14 -0.36 0.23 0.00 0.00 176.35 176.47 2d8k s PHE 82 N 1.58 3.45 0.06 0.29 0.08 -0.99 -4.95 117.98 117.51 2d8k s PHE 82 Ca -0.03 -2.10 -0.06 0.00 0.12 0.00 0.00 56.93 54.86 2d8k s PHE 82 Cb -0.12 -2.80 -0.05 0.00 -0.57 0.00 0.00 43.02 39.48 2d8k s PHE 82 CO -0.04 -0.89 0.32 -1.21 -0.10 0.00 0.00 175.22 173.30 2d8k s GLU 83 N 1.22 3.62 0.00 0.44 2.02 -1.26 -2.89 118.70 121.85 2d8k s GLU 83 Ca 0.03 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.97 2d8k s GLU 83 Cb -0.22 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.01 2d8k s GLU 83 CO -0.02 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.25 2d8k n GLY 84 N 0.75 1.01 2.70 -1.39 0.00 -1.26 -5.07 105.19 101.92 2d8k n GLY 84 Ca -0.08 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 0.99 0.39 1.61 0.40 -1.26 -5.13 117.98 112.98 2d8k s PHE 85 Ca 0.00 -0.98 -0.26 0.00 -0.60 0.00 0.00 56.93 55.09 2d8k s PHE 85 Cb 0.00 -1.11 -0.09 0.00 0.51 0.00 0.00 43.02 42.33 2d8k s PHE 85 CO 0.00 -0.68 1.20 -1.25 0.70 0.00 0.00 175.22 175.18 2d8k s PRO 86 N 1.87 4.11 0.24 0.24 0.04 -1.26 -4.59 135.00 135.64 2d8k s PRO 86 Ca 0.03 1.92 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 2d8k s PRO 86 Cb -0.17 -2.76 0.43 0.00 0.04 0.00 0.00 34.50 32.04 2d8k s PRO 86 CO -0.15 -0.29 1.68 -0.92 0.04 0.00 0.00 177.00 177.35 2d8k h TYR 87 N 2.80 0.20 -0.52 0.56 5.03 -1.98 0.59 116.97 123.64 2d8k h TYR 87 Ca -0.49 0.04 0.15 0.00 2.58 0.00 0.00 58.73 61.02 2d8k h TYR 87 Cb 1.23 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.52 2d8k h TYR 87 CO 0.55 -0.11 0.60 1.05 -1.32 0.00 0.00 178.16 178.92 2d8k h GLU 88 N 0.23 0.00 0.00 1.82 4.11 -2.01 -1.70 114.58 117.03 2d8k h GLU 88 Ca 0.40 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.61 2d8k h GLU 88 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2d8k h GLU 88 CO -0.53 0.00 -1.70 1.63 0.07 0.00 0.00 179.01 178.48 2d8k n LYS 89 N -3.59 0.56 -0.46 1.06 5.02 0.17 -4.29 118.16 116.63 2d8k n LYS 89 Ca 0.10 0.25 0.39 0.00 -2.02 0.00 0.00 58.31 57.03 2d8k n LYS 89 Cb 0.79 -1.47 0.67 0.00 -0.02 0.00 0.00 35.03 35.00 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 -4.37 -0.27 -0.21 -0.18 3.14 0.83 0.20 118.33 117.48 2d8k n VAL 90 Ca -0.33 1.82 -0.09 0.00 -2.96 0.00 0.00 64.34 62.78 2d8k n VAL 90 Cb 0.69 -2.98 0.02 0.00 -1.06 0.00 0.00 33.84 30.51 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 1.26 0.00 1.55 -1.51 -1.54 -2.30 116.25 113.72 2d8k h VAL 91 Ca 0.88 -1.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 2d8k h VAL 91 Cb 2.78 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.76 2d8k h VAL 91 CO -0.49 0.41 0.00 1.56 -1.23 0.00 0.00 177.57 177.81 2d8k h GLN 92 N 0.92 0.00 -6.88 5.19 4.20 0.21 -3.05 115.11 115.70 2d8k h GLN 92 Ca 0.17 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.42 2d8k h GLN 92 Cb 0.53 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.36 2d8k h GLN 92 CO 0.03 0.00 0.02 1.03 -0.67 0.00 0.00 178.83 179.24 2d8k s ARG 93 N -3.50 2.93 -0.03 1.46 1.81 -0.86 -4.78 118.95 115.99 2d8k s ARG 93 Ca 0.01 -0.33 0.05 0.00 -1.72 0.00 0.00 55.73 53.74 2d8k s ARG 93 Cb 0.09 -2.43 -0.01 0.00 -0.45 0.00 0.00 34.95 32.14 2d8k s ARG 93 CO 0.37 -0.50 -0.19 0.42 -0.68 0.00 0.00 175.30 174.72 2d8k s ILE 94 N -2.76 1.53 -0.45 1.52 1.01 -0.77 -2.79 121.20 118.50 2d8k s ILE 94 Ca 0.52 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 60.07 2d8k s ILE 94 Cb -0.10 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.11 2d8k s ILE 94 CO 0.41 0.44 1.09 -0.22 0.00 0.00 0.00 174.94 176.65 2d8k s LEU 95 N -0.29 3.75 -0.37 2.97 2.96 0.20 -2.97 118.68 124.93 2d8k s LEU 95 Ca 0.03 0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 54.35 2d8k s LEU 95 Cb -0.09 -3.49 0.03 0.00 0.50 0.00 0.00 46.19 43.14 2d8k s LEU 95 CO 0.00 -1.15 0.20 -0.47 -1.32 0.00 0.00 176.35 173.61 2d8k s TYR 96 N 4.19 3.24 -0.24 5.38 5.04 -0.77 -2.68 117.35 131.52 2d8k s TYR 96 Ca 0.46 -0.97 -0.04 0.00 -2.44 0.00 0.00 57.07 54.07 2d8k s TYR 96 Cb -0.08 -2.43 -0.00 0.00 0.35 0.00 0.00 41.96 39.80 2d8k s TYR 96 CO 0.28 -0.64 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.31 2d8k s LEU 97 N 1.55 3.10 -0.09 6.97 1.43 -0.91 -0.53 118.68 130.19 2d8k s LEU 97 Ca 0.02 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2d8k s LEU 97 Cb -0.19 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.29 2d8k s LEU 97 CO 0.06 -0.06 -0.14 -1.58 0.23 0.00 0.00 176.35 174.86 2d8k s GLN 98 N 1.46 2.00 -0.41 1.70 0.74 -0.76 -0.61 119.66 123.78 2d8k s GLN 98 Ca 0.04 -0.50 -0.11 0.00 0.05 0.00 0.00 55.36 54.84 2d8k s GLN 98 Cb -0.15 -1.68 0.06 0.00 1.10 0.00 0.00 33.01 32.34 2d8k s GLN 98 CO -0.02 -0.01 0.26 0.08 -0.55 0.00 0.00 175.29 175.04 2d8k s VAL 99 N 0.82 4.55 0.30 1.34 1.01 -0.64 -1.27 120.40 126.51 2d8k s VAL 99 Ca -0.11 -1.11 0.09 0.00 0.00 0.00 0.00 61.98 60.85 2d8k s VAL 99 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2d8k s VAL 99 CO 0.02 -0.40 0.09 -0.76 0.00 0.00 0.00 175.10 174.04 2d8k s LEU 100 N 1.52 3.31 -0.18 3.92 1.02 -0.72 -2.91 118.68 124.64 2d8k s LEU 100 Ca 0.03 -0.65 -0.05 0.00 0.02 0.00 0.00 54.13 53.48 2d8k s LEU 100 Cb -0.22 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.15 2d8k s LEU 100 CO 0.05 -0.14 -0.00 -0.62 0.02 0.00 0.00 176.35 175.66 2d8k s ASP 101 N -3.78 4.93 0.54 2.29 -1.08 -1.23 -0.78 116.67 117.57 2d8k s ASP 101 Ca 0.34 -0.14 -0.18 0.00 -0.52 0.00 0.00 52.55 52.05 2d8k s ASP 101 Cb -0.05 -1.83 -0.06 0.00 -1.46 0.00 0.00 42.92 39.52 2d8k s ASP 101 CO 0.22 0.12 1.07 -0.47 0.52 0.00 0.00 175.17 176.63 2d8k s TYR 102 N 0.69 2.87 0.28 -5.34 5.04 -0.60 -4.10 117.35 116.19 2d8k s TYR 102 Ca -0.00 1.55 -0.21 0.00 -2.44 0.00 0.00 57.07 55.97 2d8k s TYR 102 Cb -0.14 -3.12 0.04 0.00 0.35 0.00 0.00 41.96 39.08 2d8k s TYR 102 CO 0.02 -1.19 0.78 0.34 -1.34 0.00 0.00 175.55 174.17 2d8k s ASP 103 N -2.17 -0.19 -0.07 4.32 2.15 -1.26 -4.54 116.67 114.91 2d8k s ASP 103 Ca 0.68 -0.69 -0.03 0.00 0.43 0.00 0.00 52.55 52.94 2d8k s ASP 103 Cb -0.19 0.71 -0.04 0.00 -0.30 0.00 0.00 42.92 43.11 2d8k s ASP 103 CO 0.28 -1.34 -0.09 -1.14 -0.17 0.00 0.00 175.17 172.71 2d8k n ARG 104 N -0.48 0.17 0.16 4.34 0.63 -1.26 -4.84 116.66 115.38 2d8k n ARG 104 Ca -0.05 0.06 -0.07 0.00 -0.92 0.00 0.00 57.85 56.88 2d8k n ARG 104 Cb 0.59 -0.88 -0.03 0.00 0.45 0.00 0.00 32.46 32.59 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 -0.19 -0.40 -4.64 -0.14 0.04 -2.04 -3.46 116.94 106.12 2d8k h PHE 105 Ca -0.18 -0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.27 2d8k h PHE 105 Cb 1.19 0.13 0.06 0.00 2.20 0.00 0.00 35.95 39.53 2d8k h PHE 105 CO -0.01 -0.25 0.09 0.43 -0.60 0.00 0.00 178.31 177.97 2d8k n SER 106 N -3.39 0.82 -4.94 2.17 7.64 -1.26 -5.11 113.62 109.55 2d8k n SER 106 Ca -0.05 -1.71 -0.25 0.00 1.01 0.00 0.00 58.87 57.87 2d8k n SER 106 Cb 0.17 -0.44 0.06 0.00 -1.01 0.00 0.00 64.21 62.98 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 -4.23 2.29 -0.74 1.43 3.00 -1.26 -4.69 118.95 114.74 2d8k s ARG 107 Ca 0.44 -0.36 -0.23 0.00 0.00 0.00 0.00 55.73 55.57 2d8k s ARG 107 Cb -0.02 -2.24 -0.18 0.00 0.00 0.00 0.00 34.95 32.51 2d8k s ARG 107 CO 0.29 -1.12 1.89 0.27 0.00 0.00 0.00 175.30 176.63 2d8k n ASN 108 N -2.79 2.38 -4.69 0.23 6.94 -1.26 -4.78 115.26 111.29 2d8k n ASN 108 Ca 0.08 -2.65 -0.53 0.00 -0.02 0.00 0.00 54.58 51.45 2d8k n ASN 108 Cb 0.60 -1.15 -0.06 0.00 -2.36 0.00 0.00 39.78 36.81 2d8k n ASN 108 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2d8k n ASP 109 N 9.20 2.84 -4.62 0.53 -0.08 -1.26 -4.70 116.55 118.46 2d8k n ASP 109 Ca 0.48 1.00 -0.43 0.00 -1.51 0.00 0.00 54.79 54.34 2d8k n ASP 109 Cb 0.42 -1.24 -0.03 0.00 2.34 0.00 0.00 41.12 42.61 2d8k n ASP 109 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2d8k s PRO 110 N 3.93 3.62 -0.02 -0.67 0.04 -1.26 -3.49 135.00 137.15 2d8k s PRO 110 Ca 0.97 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 63.36 2d8k s PRO 110 Cb -0.90 -4.09 -0.08 0.00 0.04 0.00 0.00 34.50 29.47 2d8k s PRO 110 CO 0.59 -1.50 0.72 0.82 0.04 0.00 0.00 177.00 177.67 2d8k h ILE 111 N 6.40 0.00 -3.46 0.56 2.04 -1.86 -3.35 117.51 117.83 2d8k h ILE 111 Ca -0.33 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2d8k h ILE 111 Cb 1.15 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 2d8k h ILE 111 CO 1.02 0.00 -0.02 -0.83 0.00 0.00 0.00 178.15 178.32 2d8k s GLY 112 N -2.55 0.36 0.17 5.37 0.00 -1.18 -3.59 107.32 105.90 2d8k s GLY 112 Ca -0.08 -0.72 -0.13 0.00 0.00 0.00 0.00 44.72 43.80 2d8k s GLY 112 CO 0.24 -0.47 0.38 -1.83 0.00 0.00 0.00 173.10 171.42 2d8k s GLU 113 N -3.98 1.24 -0.06 2.90 4.04 -0.69 -1.62 118.70 120.51 2d8k s GLU 113 Ca 0.19 -1.04 -0.05 0.00 0.04 0.00 0.00 54.97 54.12 2d8k s GLU 113 Cb -0.02 0.44 0.02 0.00 0.02 0.00 0.00 34.13 34.59 2d8k s GLU 113 CO 0.08 -0.48 0.16 0.08 -1.84 0.00 0.00 175.26 173.26 2d8k s VAL 114 N -3.92 -0.01 -0.15 1.83 1.01 0.22 -2.02 120.40 117.36 2d8k s VAL 114 Ca 0.13 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2d8k s VAL 114 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2d8k s VAL 114 CO -0.02 0.02 -0.18 -0.94 0.00 0.00 0.00 175.10 173.98 2d8k s SER 115 N 0.34 3.40 -0.15 3.32 1.04 -1.26 -2.14 113.70 118.24 2d8k s SER 115 Ca -0.02 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.81 2d8k s SER 115 Cb -0.03 -1.51 0.07 0.00 0.10 0.00 0.00 66.02 64.64 2d8k s SER 115 CO -0.01 0.08 0.33 -0.63 0.98 0.00 0.00 173.24 173.98 2d8k s ILE 116 N 0.85 -0.33 0.37 -1.02 1.01 -1.09 -5.03 121.20 115.96 2d8k s ILE 116 Ca -0.05 0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 2d8k s ILE 116 Cb -0.15 -0.52 -0.09 0.00 0.01 0.00 0.00 42.46 41.71 2d8k s ILE 116 CO -0.02 0.08 1.20 -2.16 0.00 0.00 0.00 174.94 174.04 2d8k s PRO 117 N 2.06 4.17 0.02 2.79 0.04 -1.26 -0.63 135.00 142.19 2d8k s PRO 117 Ca -0.04 1.94 0.27 0.00 0.04 0.00 0.00 61.00 63.22 2d8k s PRO 117 Cb -0.11 -2.82 0.95 0.00 0.04 0.00 0.00 34.50 32.56 2d8k s PRO 117 CO -0.10 -0.25 1.74 1.28 0.04 0.00 0.00 177.00 179.70 2d8k n LEU 118 N 0.34 0.24 0.13 -3.56 4.77 -1.12 -3.44 117.00 114.36 2d8k n LEU 118 Ca 0.03 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2d8k n LEU 118 Cb 0.45 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2d8k n LEU 118 CO 0.53 0.02 0.43 -1.13 -1.33 0.00 0.00 177.39 175.91 2d8k h ASN 119 N 0.00 0.00 0.13 -1.43 -0.73 -1.75 -3.30 115.58 108.50 2d8k h ASN 119 Ca 0.00 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.00 2d8k h ASN 119 Cb 0.53 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.14 2d8k h ASN 119 CO 0.00 0.62 -0.75 0.11 -0.37 0.00 0.00 177.43 177.03 2d8k h LYS 120 N 0.00 0.28 -6.50 6.67 1.79 -1.89 -3.45 116.57 113.47 2d8k h LYS 120 Ca -0.01 -0.48 -0.53 0.00 -2.18 0.00 0.00 60.65 57.46 2d8k h LYS 120 Cb 1.36 0.18 0.02 0.00 -1.58 0.00 0.00 32.23 32.21 2d8k h LYS 120 CO 0.08 1.23 0.73 0.54 -1.08 0.00 0.00 179.45 180.94 2d8k s VAL 121 N -2.43 3.48 -1.17 0.50 0.11 -1.24 -4.90 120.40 114.76 2d8k s VAL 121 Ca -0.14 1.03 -0.23 0.00 -2.93 0.00 0.00 61.98 59.71 2d8k s VAL 121 Cb 0.01 -3.66 -0.10 0.00 -1.53 0.00 0.00 36.38 31.09 2d8k s VAL 121 CO 0.82 0.06 1.95 -1.81 -3.33 0.00 0.00 175.10 172.80 2d8k s ASP 122 N 1.28 4.86 0.60 3.54 1.01 -1.26 -4.72 116.67 121.98 2d8k s ASP 122 Ca 0.64 -1.58 0.29 0.00 0.71 0.00 0.00 52.55 52.61 2d8k s ASP 122 Cb -0.35 -2.59 1.54 0.00 1.01 0.00 0.00 42.92 42.53 2d8k s ASP 122 CO 0.29 -3.26 1.94 -0.07 0.21 0.00 0.00 175.17 174.28 2d8k h LEU 123 N 18.25 0.00 -1.13 1.23 3.38 -1.89 -1.65 115.31 133.49 2d8k h LEU 123 Ca 0.19 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.35 2d8k h LEU 123 Cb 0.95 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2d8k h LEU 123 CO 1.20 0.00 0.96 0.71 0.09 0.00 0.00 178.44 181.40 2d8k h THR 124 N 0.00 0.07 -2.48 0.22 1.35 -1.86 -2.73 112.91 107.48 2d8k h THR 124 Ca 0.15 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.93 2d8k h THR 124 Cb 0.95 0.18 -0.19 0.00 -1.73 0.00 0.00 68.15 67.37 2d8k h THR 124 CO -0.00 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2d8k s GLN 125 N -4.37 0.91 0.23 4.72 -2.07 -0.62 -4.93 119.66 113.53 2d8k s GLN 125 Ca -0.03 0.03 -0.31 0.00 -1.82 0.00 0.00 55.36 53.23 2d8k s GLN 125 Cb 0.11 0.42 -0.14 0.00 -1.09 0.00 0.00 33.01 32.32 2d8k s GLN 125 CO 0.39 -0.28 1.38 -0.12 -1.32 0.00 0.00 175.29 175.34 2d8k n MET 126 N 0.98 1.95 -3.65 9.60 0.00 -1.26 -4.71 117.12 120.03 2d8k n MET 126 Ca -0.20 0.69 -0.20 0.00 -0.00 0.00 0.00 57.70 58.00 2d8k n MET 126 Cb 0.57 -2.34 -0.17 0.00 0.00 0.00 0.00 33.22 31.28 2d8k n MET 126 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2d8k s GLN 127 N -0.40 -0.02 0.62 2.12 -0.21 -0.44 -4.97 119.66 116.36 2d8k s GLN 127 Ca 0.69 0.36 -0.13 0.00 0.02 0.00 0.00 55.36 56.29 2d8k s GLN 127 Cb -0.67 -0.66 -0.03 0.00 1.00 0.00 0.00 33.01 32.65 2d8k s GLN 127 CO 0.50 -0.38 1.04 0.99 -2.12 0.00 0.00 175.29 175.31 2d8k s THR 128 N 2.21 4.25 -0.07 -0.19 2.01 -1.26 -2.43 115.64 120.15 2d8k s THR 128 Ca 0.04 0.87 -0.14 0.00 0.31 0.00 0.00 61.69 62.77 2d8k s THR 128 Cb -0.13 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.84 2d8k s THR 128 CO -0.05 -0.81 0.35 -0.36 -0.69 0.00 0.00 174.62 173.06 2d8k s PHE 129 N -2.86 -0.30 -0.25 4.92 0.40 -1.11 -4.98 117.98 113.79 2d8k s PHE 129 Ca 0.59 0.64 -0.00 0.00 -0.60 0.00 0.00 56.93 57.56 2d8k s PHE 129 Cb -0.13 0.13 0.07 0.00 0.51 0.00 0.00 43.02 43.60 2d8k s PHE 129 CO 0.46 -0.31 0.01 -1.58 0.70 0.00 0.00 175.22 174.50 2d8k s TRP 130 N -0.60 2.07 0.28 0.36 0.52 -1.26 -3.33 118.94 116.98 2d8k s TRP 130 Ca -0.07 -1.67 0.07 0.00 0.02 0.00 0.00 56.10 54.45 2d8k s TRP 130 Cb -0.04 -1.61 -0.06 0.00 -1.15 0.00 0.00 33.47 30.62 2d8k s TRP 130 CO 0.03 -0.78 -0.07 0.15 0.02 0.00 0.00 176.95 176.30 2d8k s LYS 131 N 1.50 1.56 -0.29 4.98 -0.14 -1.20 -5.01 119.74 121.14 2d8k s LYS 131 Ca 0.00 -1.78 -0.10 0.00 -1.36 0.00 0.00 55.97 52.73 2d8k s LYS 131 Cb -0.18 -1.21 -0.03 0.00 -1.68 0.00 0.00 37.83 34.73 2d8k s LYS 131 CO -0.11 0.06 0.15 0.34 -0.76 0.00 0.00 175.35 175.04 2d8k s ASP 132 N -3.45 5.68 -0.69 2.83 -1.08 -1.26 -1.66 116.67 117.04 2d8k s ASP 132 Ca 0.29 -0.22 -0.29 0.00 -0.52 0.00 0.00 52.55 51.80 2d8k s ASP 132 Cb 0.03 -2.04 -0.14 0.00 -1.46 0.00 0.00 42.92 39.31 2d8k s ASP 132 CO 0.12 -0.10 2.51 0.18 0.52 0.00 0.00 175.17 178.40 2d8k n LEU 133 N 5.01 1.41 -4.72 -1.34 4.77 -1.03 -4.88 117.00 116.22 2d8k n LEU 133 Ca -0.14 -0.10 -0.34 0.00 -0.03 0.00 0.00 56.01 55.39 2d8k n LEU 133 Cb 0.51 -1.26 0.10 0.00 -2.33 0.00 0.00 43.42 40.44 2d8k n LEU 133 CO 0.33 -1.11 0.80 -0.54 -1.33 0.00 0.00 177.39 175.54 2d8k s LYS 134 N 8.34 2.03 -0.21 3.23 -0.14 -0.85 -4.52 119.74 127.61 2d8k s LYS 134 Ca 1.16 1.79 -0.29 0.00 -1.36 0.00 0.00 55.97 57.27 2d8k s LYS 134 Cb -0.73 -1.82 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 2d8k s LYS 134 CO 0.39 -1.93 1.61 -1.25 -0.76 0.00 0.00 175.35 173.41 2d8k s PRO 135 N -3.92 3.82 0.00 -1.68 0.04 -1.26 -1.71 135.00 130.29 2d8k s PRO 135 Ca 0.75 1.68 0.20 0.00 0.04 0.00 0.00 61.00 63.67 2d8k s PRO 135 Cb -0.30 -4.03 0.16 0.00 0.04 0.00 0.00 34.50 30.38 2d8k s PRO 135 CO 0.46 -1.26 1.14 0.45 0.04 0.00 0.00 177.00 177.83 2d8k n SER 136 N 8.34 2.68 -4.93 6.66 2.88 -1.24 -4.92 113.62 123.09 2d8k n SER 136 Ca 0.19 -1.84 -0.25 0.00 -1.33 0.00 0.00 58.87 55.63 2d8k n SER 136 Cb 0.45 -0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.97 2d8k n SER 136 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d8k s GLY 137 N -1.66 1.69 0.46 0.46 0.00 -1.26 -4.96 107.32 102.05 2d8k s GLY 137 Ca 0.24 -0.93 -0.23 0.00 0.00 0.00 0.00 44.72 43.80 2d8k s GLY 137 CO 0.25 -0.56 1.16 2.56 0.00 0.00 0.00 173.10 176.52 2d8k s PRO 138 N -5.15 3.75 -0.47 2.90 0.04 -1.26 -4.93 135.00 129.88 2d8k s PRO 138 Ca 0.59 1.77 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 2d8k s PRO 138 Cb -0.11 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 2d8k s PRO 138 CO 0.44 -0.55 1.84 0.45 0.04 0.00 0.00 177.00 179.22 2d8k s SER 139 N -1.37 5.54 -0.06 6.66 0.15 -1.26 -4.97 113.70 118.40 2d8k s SER 139 Ca 0.64 0.83 -0.08 0.00 0.70 0.00 0.00 55.95 58.03 2d8k s SER 139 Cb -0.28 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.45 2d8k s SER 139 CO 0.35 -2.07 0.23 -0.55 1.20 0.00 0.00 173.24 172.40 2d8k s SER 140 N 7.26 6.51 0.00 5.45 0.15 -1.26 -5.32 113.70 126.49 2d8k s SER 140 Ca 0.74 0.60 0.29 0.00 0.70 0.00 0.00 55.95 58.28 2d8k s SER 140 Cb -0.17 -2.11 1.73 0.00 -1.71 0.00 0.00 66.02 63.75 2d8k s SER 140 CO 0.27 0.35 2.07 0.61 1.20 0.00 0.00 173.24 177.73