#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhi s SER 2 N 0.00 5.06 0.49 1.61 0.01 -1.26 -4.95 113.70 114.66 2dhi s SER 2 Ca 0.00 -0.04 -0.22 0.00 1.31 0.00 0.00 55.95 57.00 2dhi s SER 2 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2dhi s SER 2 CO 0.00 -2.67 1.23 -0.55 0.41 0.00 0.00 173.24 171.66 2dhi s SER 3 N 8.59 5.85 0.00 2.44 0.15 -1.26 -4.91 113.70 124.56 2dhi s SER 3 Ca 0.72 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.84 2dhi s SER 3 Cb -0.11 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2dhi s SER 3 CO 0.11 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.02 2dhi n GLY 4 N 0.54 2.51 3.22 9.45 0.00 -1.26 -5.15 105.19 114.49 2dhi n GLY 4 Ca 0.08 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 2dhi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhi s SER 5 N 0.00 2.68 -0.09 1.61 0.01 -1.26 -5.13 113.70 111.53 2dhi s SER 5 Ca 0.00 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.77 2dhi s SER 5 Cb 0.00 -0.68 0.04 0.00 0.21 0.00 0.00 66.02 65.58 2dhi s SER 5 CO 0.00 0.22 0.20 -0.55 0.41 0.00 0.00 173.24 173.52 2dhi s SER 6 N -0.14 -0.20 0.08 2.44 0.15 -1.26 -5.14 113.70 109.63 2dhi s SER 6 Ca -0.02 0.43 -0.30 0.00 0.70 0.00 0.00 55.95 56.75 2dhi s SER 6 Cb -0.12 0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 64.48 2dhi s SER 6 CO 0.03 -0.14 0.99 -0.83 1.20 0.00 0.00 173.24 174.49 2dhi s GLY 7 N 0.96 2.93 -0.15 9.45 0.00 -1.26 -5.03 107.32 114.22 2dhi s GLY 7 Ca -0.07 0.60 -0.19 0.00 0.00 0.00 0.00 44.72 45.07 2dhi s GLY 7 CO -0.06 1.58 0.51 -1.36 0.00 0.00 0.00 173.10 173.78 2dhi s PHE 8 N 0.36 3.45 0.12 1.90 0.08 -1.26 -3.07 117.98 119.56 2dhi s PHE 8 Ca 0.49 0.86 -0.32 0.00 0.12 0.00 0.00 56.93 58.09 2dhi s PHE 8 Cb -0.23 -2.62 -0.10 0.00 -0.57 0.00 0.00 43.02 39.49 2dhi s PHE 8 CO 0.30 0.04 1.56 0.28 -0.10 0.00 0.00 175.22 177.30 2dhi h VAL 9 N 4.90 0.05 -3.09 -0.44 2.07 -0.41 -3.44 116.25 115.89 2dhi h VAL 9 Ca -0.38 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 2dhi h VAL 9 Cb 1.17 0.05 -0.23 0.00 -1.52 0.00 0.00 31.29 30.76 2dhi h VAL 9 CO 0.75 0.00 -0.37 -0.75 0.02 0.00 0.00 177.57 177.22 2dhi s LYS 10 N -5.79 0.43 -0.03 1.57 2.20 -1.26 -5.01 119.74 111.86 2dhi s LYS 10 Ca -0.16 0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 2dhi s LYS 10 Cb 0.08 0.20 0.02 0.00 -1.51 0.00 0.00 37.83 36.62 2dhi s LYS 10 CO 0.62 -0.08 -0.04 -1.54 -0.36 0.00 0.00 175.35 173.95 2dhi s SER 11 N -0.39 0.78 0.21 1.43 1.04 -1.26 -2.44 113.70 113.07 2dhi s SER 11 Ca -0.05 -0.10 -0.23 0.00 0.48 0.00 0.00 55.95 56.04 2dhi s SER 11 Cb -0.03 -0.34 0.04 0.00 0.10 0.00 0.00 66.02 65.79 2dhi s SER 11 CO 0.01 -0.04 0.84 -0.83 0.98 0.00 0.00 173.24 174.21 2dhi s GLY 12 N 0.74 -0.17 0.12 7.32 0.00 -1.17 -5.03 107.32 109.12 2dhi s GLY 12 Ca -0.09 -0.06 -0.28 0.00 0.00 0.00 0.00 44.72 44.28 2dhi s GLY 12 CO -0.00 -0.03 0.89 -0.98 0.00 0.00 0.00 173.10 172.97 2dhi s TRP 13 N -3.59 3.83 -0.16 1.90 0.52 -1.26 -2.63 118.94 117.56 2dhi s TRP 13 Ca 0.11 1.72 -0.14 0.00 0.02 0.00 0.00 56.10 57.82 2dhi s TRP 13 Cb -0.04 -2.95 0.04 0.00 -1.15 0.00 0.00 33.47 29.37 2dhi s TRP 13 CO 0.04 0.29 0.41 -0.51 0.02 0.00 0.00 176.95 177.21 2dhi s LEU 14 N -0.31 0.38 0.49 2.99 1.43 0.19 -4.56 118.68 119.29 2dhi s LEU 14 Ca 0.43 0.83 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 2dhi s LEU 14 Cb -0.23 1.40 -0.08 0.00 0.03 0.00 0.00 46.19 47.32 2dhi s LEU 14 CO 0.28 -0.15 0.94 -0.76 0.23 0.00 0.00 176.35 176.90 2dhi s LEU 15 N 0.33 3.66 -0.06 1.79 1.43 -0.96 -0.34 118.68 124.52 2dhi s LEU 15 Ca -0.01 1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 54.55 2dhi s LEU 15 Cb -0.03 -4.41 0.04 0.00 0.03 0.00 0.00 46.19 41.81 2dhi s LEU 15 CO -0.01 -0.55 0.13 -0.60 0.23 0.00 0.00 176.35 175.55 2dhi s ARG 16 N -4.04 0.04 -0.53 1.70 3.52 -0.95 -2.27 118.95 116.42 2dhi s ARG 16 Ca 0.57 0.40 -0.24 0.00 -0.13 0.00 0.00 55.73 56.33 2dhi s ARG 16 Cb -0.10 -0.24 0.04 0.00 -1.56 0.00 0.00 34.95 33.09 2dhi s ARG 16 CO 0.32 -0.22 0.93 -1.14 -0.81 0.00 0.00 175.30 174.38 2dhi s GLN 17 N 1.56 3.36 0.65 5.12 0.74 -0.36 -2.95 119.66 127.78 2dhi s GLN 17 Ca -0.05 -0.20 -0.08 0.00 0.05 0.00 0.00 55.36 55.09 2dhi s GLN 17 Cb -0.12 -4.03 0.02 0.00 1.10 0.00 0.00 33.01 29.98 2dhi s GLN 17 CO -0.05 -1.43 0.98 0.45 -0.55 0.00 0.00 175.29 174.69 2dhi s SER 18 N 2.73 5.39 0.19 6.67 0.15 -1.26 -4.52 113.70 123.05 2dhi s SER 18 Ca 0.31 0.80 0.14 0.00 0.70 0.00 0.00 55.95 57.90 2dhi s SER 18 Cb -0.12 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 2dhi s SER 18 CO 0.20 -1.26 1.23 0.71 1.20 0.00 0.00 173.24 175.33 2dhi h THR 19 N -0.41 0.91 0.00 6.45 1.35 -1.96 -2.40 112.91 116.85 2dhi h THR 19 Ca -0.45 -2.37 -0.03 0.00 -0.55 0.00 0.00 66.41 63.01 2dhi h THR 19 Cb 1.27 2.39 -0.00 0.00 -1.73 0.00 0.00 68.15 70.07 2dhi h THR 19 CO 0.62 0.52 -0.47 0.40 -0.25 0.00 0.00 175.52 176.34 2dhi h ILE 20 N 0.00 0.20 0.00 6.82 5.03 -2.00 -3.36 117.51 124.20 2dhi h ILE 20 Ca -0.06 -1.21 -0.01 0.00 -0.12 0.00 0.00 64.86 63.46 2dhi h ILE 20 Cb 1.52 0.44 -0.00 0.00 -3.03 0.00 0.00 36.82 35.75 2dhi h ILE 20 CO 0.07 0.07 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.50 2dhi h LEU 21 N -1.00 0.00 -1.98 1.44 4.07 -1.99 -3.46 115.31 112.39 2dhi h LEU 21 Ca -0.05 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.31 2dhi h LEU 21 Cb 0.52 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 42.03 2dhi h LEU 21 CO -0.03 0.04 -0.94 0.29 -1.08 0.00 0.00 178.44 176.72 2dhi n LYS 22 N -3.20 -0.91 -3.53 1.13 5.02 -0.90 -4.89 118.16 110.87 2dhi n LYS 22 Ca -0.01 0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 2dhi n LYS 22 Cb 0.25 -3.64 -0.05 0.00 -0.02 0.00 0.00 35.03 31.58 2dhi n LYS 22 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2dhi s ARG 23 N -7.27 0.86 -0.16 1.97 1.70 -1.26 -4.97 118.95 109.82 2dhi s ARG 23 Ca 0.10 0.06 -0.29 0.00 -0.47 0.00 0.00 55.73 55.13 2dhi s ARG 23 Cb -0.06 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 2dhi s ARG 23 CO 0.98 -0.30 1.63 -1.58 -1.08 0.00 0.00 175.30 174.95 2dhi s TRP 24 N -1.69 2.07 -0.10 5.89 0.52 -1.26 -4.00 118.94 120.36 2dhi s TRP 24 Ca -0.04 0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.57 2dhi s TRP 24 Cb -0.00 -3.94 0.01 0.00 -1.15 0.00 0.00 33.47 28.38 2dhi s TRP 24 CO 0.02 -3.21 -0.21 -1.59 0.02 0.00 0.00 176.95 171.97 2dhi s LYS 25 N 4.47 2.80 0.07 4.98 -2.85 -1.15 -4.88 119.74 123.18 2dhi s LYS 25 Ca 0.72 -0.79 -0.35 0.00 -1.00 0.00 0.00 55.97 54.55 2dhi s LYS 25 Cb -0.28 -2.18 -0.14 0.00 -2.06 0.00 0.00 37.83 33.17 2dhi s LYS 25 CO 0.29 0.10 1.58 1.17 0.10 0.00 0.00 175.35 178.58 2dhi n LYS 26 N 3.73 1.82 -4.11 1.78 3.00 -1.26 -2.23 118.16 120.90 2dhi n LYS 26 Ca -0.20 0.66 -0.10 0.00 -0.00 0.00 0.00 58.31 58.67 2dhi n LYS 26 Cb 0.52 -2.40 -0.10 0.00 0.00 0.00 0.00 35.03 33.05 2dhi n LYS 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2dhi s ASN 27 N 1.48 0.88 -0.18 3.14 -0.87 0.54 -4.80 114.94 115.13 2dhi s ASN 27 Ca 0.84 -0.86 -0.08 0.00 -1.57 0.00 0.00 52.86 51.19 2dhi s ASN 27 Cb -0.78 0.10 -0.04 0.00 -0.02 0.00 0.00 41.25 40.51 2dhi s ASN 27 CO 0.44 -0.41 0.07 0.86 -2.57 0.00 0.00 177.10 175.49 2dhi s TRP 28 N -2.97 3.28 0.12 2.20 -0.00 -0.62 -0.64 118.94 120.31 2dhi s TRP 28 Ca 0.03 0.12 0.09 0.00 -0.00 0.00 0.00 56.10 56.34 2dhi s TRP 28 Cb 0.01 -2.09 -0.04 0.00 -0.00 0.00 0.00 33.47 31.35 2dhi s TRP 28 CO -0.04 0.18 -0.20 -0.06 -0.00 0.00 0.00 176.95 176.83 2dhi s PHE 29 N 0.35 2.48 -0.24 5.86 0.40 -1.08 0.67 117.98 126.42 2dhi s PHE 29 Ca 0.04 -0.29 -0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2dhi s PHE 29 Cb -0.12 -1.32 0.13 0.00 0.51 0.00 0.00 43.02 42.22 2dhi s PHE 29 CO -0.00 0.38 0.44 -0.51 0.70 0.00 0.00 175.22 176.23 2dhi s ASP 30 N -2.12 -0.26 0.19 1.36 1.11 -0.07 -3.05 116.67 113.82 2dhi s ASP 30 Ca 0.17 0.64 -0.14 0.00 0.18 0.00 0.00 52.55 53.39 2dhi s ASP 30 Cb -0.10 1.43 -0.07 0.00 1.07 0.00 0.00 42.92 45.25 2dhi s ASP 30 CO 0.09 -0.27 0.59 -0.22 1.18 0.00 0.00 175.17 176.54 2dhi s LEU 31 N 2.64 4.28 0.02 1.23 2.96 -1.02 -1.51 118.68 127.28 2dhi s LEU 31 Ca 0.09 1.11 -0.02 0.00 -0.22 0.00 0.00 54.13 55.09 2dhi s LEU 31 Cb -0.14 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 2dhi s LEU 31 CO -0.16 0.04 0.21 0.26 -1.32 0.00 0.00 176.35 175.37 2dhi s TRP 32 N -1.58 3.54 0.45 5.38 0.52 0.16 0.31 118.94 127.71 2dhi s TRP 32 Ca 0.42 0.35 0.22 0.00 0.02 0.00 0.00 56.10 57.10 2dhi s TRP 32 Cb -0.14 -1.83 1.21 0.00 -1.15 0.00 0.00 33.47 31.56 2dhi s TRP 32 CO 0.20 0.61 1.83 1.03 0.02 0.00 0.00 176.95 180.65 2dhi h SER 33 N 3.52 0.30 0.26 2.95 0.87 -1.85 0.42 113.55 120.02 2dhi h SER 33 Ca -0.47 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 59.99 2dhi h SER 33 Cb 1.18 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2dhi h SER 33 CO 0.71 0.10 -0.52 0.44 -0.53 0.00 0.00 176.83 177.03 2dhi h ASP 34 N 0.29 0.32 0.00 6.23 3.32 -1.89 -3.47 116.42 121.21 2dhi h ASP 34 Ca 0.50 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2dhi h ASP 34 Cb 1.46 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2dhi h ASP 34 CO -0.16 0.78 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2dhi n GLY 35 N 0.10 1.32 3.73 2.75 0.00 0.15 -3.96 105.19 109.28 2dhi n GLY 35 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2dhi n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dhi n HIS 36 N 0.00 2.62 -4.96 1.61 8.25 -1.26 -3.80 115.22 117.68 2dhi n HIS 36 Ca 0.00 0.47 -0.33 0.00 -0.26 0.00 0.00 57.72 57.60 2dhi n HIS 36 Cb 0.00 -2.49 -0.16 0.00 1.12 0.00 0.00 29.99 28.47 2dhi n HIS 36 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2dhi s LEU 37 N -1.28 2.42 -0.03 2.41 2.96 0.20 0.39 118.68 125.75 2dhi s LEU 37 Ca 0.56 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2dhi s LEU 37 Cb -0.53 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 44.67 2dhi s LEU 37 CO 0.60 0.16 0.00 -0.63 -1.32 0.00 0.00 176.35 175.17 2dhi s ILE 38 N 0.37 0.18 0.13 6.68 1.01 -0.57 -1.28 121.20 127.72 2dhi s ILE 38 Ca -0.14 0.10 0.10 0.00 0.00 0.00 0.00 60.65 60.71 2dhi s ILE 38 Cb -0.17 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 2dhi s ILE 38 CO 0.07 0.16 -0.25 -0.72 0.00 0.00 0.00 174.94 174.20 2dhi s TYR 39 N 1.16 2.16 0.49 3.97 1.13 -1.15 -0.89 117.35 124.22 2dhi s TYR 39 Ca -0.08 -0.39 0.04 0.00 -1.41 0.00 0.00 57.07 55.23 2dhi s TYR 39 Cb -0.13 -1.15 -0.01 0.00 -1.10 0.00 0.00 41.96 39.56 2dhi s TYR 39 CO -0.02 0.33 0.12 0.71 -2.51 0.00 0.00 175.55 174.18 2dhi s TYR 40 N -1.23 2.00 0.20 -3.49 1.51 0.21 -1.86 117.35 114.69 2dhi s TYR 40 Ca 0.13 -0.84 -0.05 0.00 -1.01 0.00 0.00 57.07 55.30 2dhi s TYR 40 Cb -0.09 -1.75 0.14 0.00 -0.11 0.00 0.00 41.96 40.14 2dhi s TYR 40 CO 0.06 0.09 1.58 0.22 -1.11 0.00 0.00 175.55 176.39 2dhi h ASP 41 N 1.27 0.79 -2.47 2.29 3.58 -1.83 -1.63 116.42 118.42 2dhi h ASP 41 Ca -0.42 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 56.70 2dhi h ASP 41 Cb 1.29 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2dhi h ASP 41 CO 0.71 1.04 0.24 0.47 -2.88 0.00 0.00 179.24 178.81 2dhi n ASP 42 N -4.08 -1.72 -0.24 2.28 8.00 -1.26 -4.35 116.55 115.18 2dhi n ASP 42 Ca -0.01 -2.17 0.32 0.00 0.71 0.00 0.00 54.79 53.64 2dhi n ASP 42 Cb 0.48 2.87 0.72 0.00 -0.02 0.00 0.00 41.12 45.17 2dhi n ASP 42 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2dhi h GLN 43 N 0.00 0.00 -0.98 -1.24 -0.00 -1.97 -0.62 115.11 110.30 2dhi h GLN 43 Ca -0.25 0.00 0.34 0.00 -0.00 0.00 0.00 58.65 58.73 2dhi h GLN 43 Cb 0.94 0.00 -0.16 0.00 0.00 0.00 0.00 27.48 28.26 2dhi h GLN 43 CO 0.32 0.00 0.44 1.79 0.00 0.00 0.00 178.83 181.38 2dhi h THR 44 N 0.00 0.17 -3.45 2.39 1.35 -1.99 -3.44 112.91 107.94 2dhi h THR 44 Ca 0.49 -0.05 -0.34 0.00 -0.55 0.00 0.00 66.41 65.96 2dhi h THR 44 Cb 2.14 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 2dhi h THR 44 CO -0.01 0.03 -0.45 0.54 -0.25 0.00 0.00 175.52 175.39 2dhi n ARG 45 N -5.20 -2.05 -0.03 4.72 1.74 -0.24 -4.81 116.66 110.77 2dhi n ARG 45 Ca 0.31 0.82 -0.03 0.00 -0.77 0.00 0.00 57.85 58.18 2dhi n ARG 45 Cb 1.01 -5.47 -0.05 0.00 -1.02 0.00 0.00 32.46 26.93 2dhi n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dhi n GLN 46 N -2.97 2.80 -3.39 5.56 10.64 -1.26 -4.82 117.38 123.93 2dhi n GLN 46 Ca -0.20 -0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.54 2dhi n GLN 46 Cb 0.65 -1.18 -0.02 0.00 -0.86 0.00 0.00 30.24 28.84 2dhi n GLN 46 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2dhi n SER 47 N -2.27 5.25 -4.70 2.61 7.64 -1.26 -5.03 113.62 115.86 2dhi n SER 47 Ca -0.11 -3.08 -0.55 0.00 1.01 0.00 0.00 58.87 56.13 2dhi n SER 47 Cb 0.72 -1.29 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 2dhi n SER 47 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2dhi n ILE 48 N 2.50 0.33 0.01 0.44 5.41 -1.26 -2.99 119.36 123.79 2dhi n ILE 48 Ca 0.24 -0.06 -0.01 0.00 1.00 0.00 0.00 62.75 63.92 2dhi n ILE 48 Cb 0.38 -1.31 -0.01 0.00 -0.71 0.00 0.00 39.64 38.00 2dhi n ILE 48 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dhi h GLU 49 N 7.34 -0.08 -2.31 0.38 4.39 -1.66 -3.47 114.58 119.18 2dhi h GLU 49 Ca -0.47 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 2dhi h GLU 49 Cb 1.31 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 29.81 2dhi h GLU 49 CO 0.95 -0.05 0.23 -0.51 -1.16 0.00 0.00 179.01 178.46 2dhi s ASP 50 N -4.36 -0.60 -0.01 1.42 1.01 -1.20 -5.07 116.67 107.86 2dhi s ASP 50 Ca -0.01 0.44 0.07 0.00 0.71 0.00 0.00 52.55 53.76 2dhi s ASP 50 Cb 0.00 0.54 -0.02 0.00 1.01 0.00 0.00 42.92 44.45 2dhi s ASP 50 CO 0.04 -0.71 -0.22 -0.75 0.21 0.00 0.00 175.17 173.74 2dhi s LYS 51 N -2.08 1.75 -0.07 8.23 2.20 -1.26 -2.92 119.74 125.58 2dhi s LYS 51 Ca -0.06 -0.80 -0.27 0.00 -0.36 0.00 0.00 55.97 54.48 2dhi s LYS 51 Cb -0.00 -1.71 0.06 0.00 -1.51 0.00 0.00 37.83 34.67 2dhi s LYS 51 CO 0.01 0.47 0.60 0.08 -0.36 0.00 0.00 175.35 176.15 2dhi s VAL 52 N -0.54 0.01 0.54 4.02 1.01 -0.41 -5.04 120.40 119.99 2dhi s VAL 52 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2dhi s VAL 52 Cb -0.08 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2dhi s VAL 52 CO -0.01 -0.05 0.78 -2.28 0.00 0.00 0.00 175.10 173.54 2dhi s HIS 53 N -0.97 3.06 0.00 5.22 2.46 -1.26 -0.63 115.29 123.17 2dhi s HIS 53 Ca -0.10 0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.65 2dhi s HIS 53 Cb -0.02 -2.63 0.00 0.00 -0.13 0.00 0.00 32.58 29.80 2dhi s HIS 53 CO 0.07 -0.73 0.00 -1.33 -2.47 0.00 0.00 174.74 170.28 2dhi n MET 54 N -2.34 0.00 0.00 2.88 2.81 -1.25 -2.45 117.12 116.78 2dhi n MET 54 Ca 0.05 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.99 2dhi n MET 54 Cb 0.59 -0.40 0.31 0.00 -0.71 0.00 0.00 33.22 33.00 2dhi n MET 54 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2dhi n PRO 55 N -2.50 0.49 0.00 0.03 -0.04 -1.26 -1.03 135.00 130.70 2dhi n PRO 55 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2dhi n PRO 55 Cb 0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 2dhi n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dhi n VAL 56 N -0.83 0.09 -0.09 0.52 0.31 -1.26 -4.91 118.33 112.16 2dhi n VAL 56 Ca 0.08 0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.29 2dhi n VAL 56 Cb 0.04 -1.43 -0.08 0.00 -0.91 0.00 0.00 33.84 31.45 2dhi n VAL 56 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2dhi h ASP 57 N 0.00 0.00 -2.77 4.52 5.19 -1.60 -3.46 116.42 118.31 2dhi h ASP 57 Ca 0.00 -0.38 -0.55 0.00 -0.62 0.00 0.00 57.03 55.48 2dhi h ASP 57 Cb 0.85 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 2dhi h ASP 57 CO 0.00 1.17 0.96 0.00 -3.12 0.00 0.00 179.24 178.25 2dhi n ILE 59 N 5.08 1.23 -3.99 0.00 -5.35 -0.27 -4.42 119.36 111.64 2dhi n ILE 59 Ca 0.15 -0.76 -0.08 0.00 -0.27 0.00 0.00 62.75 61.79 2dhi n ILE 59 Cb 0.43 -0.52 -0.09 0.00 -1.74 0.00 0.00 39.64 37.72 2dhi n ILE 59 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2dhi s ASN 60 N -5.21 0.32 -0.21 7.28 2.47 -1.13 -5.05 114.94 113.41 2dhi s ASN 60 Ca -0.09 -0.81 0.01 0.00 0.42 0.00 0.00 52.86 52.38 2dhi s ASN 60 Cb 0.05 0.25 0.05 0.00 -1.45 0.00 0.00 41.25 40.15 2dhi s ASN 60 CO 0.74 -0.62 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.80 2dhi s ILE 61 N -3.67 1.49 -0.18 -5.21 1.01 -1.26 -1.91 121.20 111.47 2dhi s ILE 61 Ca 0.04 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 2dhi s ILE 61 Cb 0.05 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 2dhi s ILE 61 CO -0.09 0.02 0.03 -0.13 0.00 0.00 0.00 174.94 174.76 2dhi s ARG 62 N 1.44 3.83 -0.01 2.79 0.52 -0.84 -5.00 118.95 121.67 2dhi s ARG 62 Ca -0.03 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.76 2dhi s ARG 62 Cb -0.17 -3.12 0.01 0.00 0.52 0.00 0.00 34.95 32.19 2dhi s ARG 62 CO -0.07 0.21 -0.04 0.95 0.02 0.00 0.00 175.30 176.37 2dhi s THR 63 N 0.51 0.33 0.00 0.02 -4.23 -1.26 0.56 115.64 111.57 2dhi s THR 63 Ca 0.01 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2dhi s THR 63 Cb -0.13 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.39 2dhi s THR 63 CO 0.02 0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 2dhi n GLY 64 N 3.32 0.53 0.36 3.99 0.00 -0.39 -3.38 105.19 109.62 2dhi n GLY 64 Ca -0.17 -0.84 0.19 0.00 0.00 0.00 0.00 46.02 45.20 2dhi n GLY 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2dhi h HIS 65 N 0.00 0.00 -0.91 1.61 3.86 -1.92 -1.24 115.15 116.55 2dhi h HIS 65 Ca 0.00 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.37 2dhi h HIS 65 Cb 0.00 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.37 2dhi h HIS 65 CO 0.00 0.00 0.50 0.93 0.86 0.00 0.00 177.93 180.22 2dhi h GLU 66 N 0.00 0.68 -6.77 2.45 4.39 -1.93 -3.42 114.58 109.98 2dhi h GLU 66 Ca 0.15 -0.04 -0.53 0.00 0.34 0.00 0.00 59.36 59.28 2dhi h GLU 66 Cb 0.79 -0.15 0.22 0.00 -0.10 0.00 0.00 28.75 29.50 2dhi h GLU 66 CO -0.00 0.45 -0.61 0.00 -1.16 0.00 0.00 179.01 177.69 2dhi s ARG 68 N -3.60 0.76 -1.48 0.00 6.06 -1.26 -4.89 118.95 114.54 2dhi s ARG 68 Ca 0.56 -0.16 0.00 0.00 -2.50 0.00 0.00 55.73 53.63 2dhi s ARG 68 Cb -0.21 0.34 0.00 0.00 0.06 0.00 0.00 34.95 35.14 2dhi s ARG 68 CO 0.68 -0.22 0.00 -0.25 -2.50 0.00 0.00 175.30 173.00 2dhi n ASP 69 N 1.09 -4.95 -2.53 -2.12 9.92 -1.26 -4.97 116.55 111.74 2dhi n ASP 69 Ca -0.21 0.05 -0.13 0.00 -0.53 0.00 0.00 54.79 53.97 2dhi n ASP 69 Cb 0.57 -4.03 -0.05 0.00 -0.64 0.00 0.00 41.12 36.97 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2dhi n ILE 70 N -3.80 0.00 -3.64 0.53 -5.35 -1.26 -5.14 119.36 100.70 2dhi n ILE 70 Ca -0.19 -1.65 -0.08 0.00 -0.27 0.00 0.00 62.75 60.55 2dhi n ILE 70 Cb 0.64 0.83 -0.07 0.00 -1.74 0.00 0.00 39.64 39.30 2dhi n ILE 70 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dhi s GLN 71 N -2.91 0.51 0.58 6.28 -2.07 -1.26 -5.16 119.66 115.63 2dhi s GLN 71 Ca 0.27 0.68 -0.18 0.00 -1.82 0.00 0.00 55.36 54.31 2dhi s GLN 71 Cb 0.01 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 2dhi s GLN 71 CO 0.19 -0.07 1.12 -1.25 -1.32 0.00 0.00 175.29 173.96 2dhi s PRO 72 N 0.57 3.19 0.19 9.60 0.04 -1.26 -5.02 135.00 142.30 2dhi s PRO 72 Ca -0.01 1.54 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 2dhi s PRO 72 Cb -0.05 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.55 2dhi s PRO 72 CO -0.08 -0.97 0.16 -0.35 0.04 0.00 0.00 177.00 175.80 2dhi n PRO 73 N -1.65 -1.35 -3.21 0.56 -0.04 -1.26 -4.98 135.00 123.07 2dhi n PRO 73 Ca 0.11 -0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 2dhi n PRO 73 Cb 0.51 -0.25 -0.08 0.00 -0.04 0.00 0.00 33.50 33.65 2dhi n PRO 73 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dhi s ASP 74 N -1.96 6.24 0.00 3.54 2.15 -1.26 -3.94 116.67 121.45 2dhi s ASP 74 Ca 0.11 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2dhi s ASP 74 Cb -0.01 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 2dhi s ASP 74 CO 0.08 -0.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 2dhi n GLY 75 N 5.10 1.26 3.09 2.66 0.00 -1.26 -5.11 105.19 110.92 2dhi n GLY 75 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2dhi n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhi s LYS 76 N -0.36 0.98 0.60 1.61 -0.14 -1.25 -5.14 119.74 116.04 2dhi s LYS 76 Ca 0.00 -0.49 -0.10 0.00 -1.36 0.00 0.00 55.97 54.02 2dhi s LYS 76 Cb 0.00 -0.95 0.15 0.00 -1.68 0.00 0.00 37.83 35.35 2dhi s LYS 76 CO 0.00 0.26 0.54 -0.35 -0.76 0.00 0.00 175.35 175.03 2dhi n PRO 77 N 2.64 -2.06 -0.05 -1.68 -0.04 -1.26 -4.67 135.00 127.87 2dhi n PRO 77 Ca -0.15 -0.86 -0.11 0.00 -0.04 0.00 0.00 63.50 62.34 2dhi n PRO 77 Cb 0.56 -0.80 -0.15 0.00 -0.04 0.00 0.00 33.50 33.07 2dhi n PRO 77 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dhi n ARG 78 N -3.14 0.67 0.00 0.54 0.63 -1.26 -4.02 116.66 110.07 2dhi n ARG 78 Ca 0.07 0.18 0.04 0.00 -0.92 0.00 0.00 57.85 57.22 2dhi n ARG 78 Cb 0.29 -1.67 0.17 0.00 0.45 0.00 0.00 32.46 31.70 2dhi n ARG 78 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2dhi n ASP 79 N -3.02 0.00 -1.05 6.15 2.03 -1.26 -1.33 116.55 118.07 2dhi n ASP 79 Ca -0.27 0.49 0.07 0.00 0.52 0.00 0.00 54.79 55.60 2dhi n ASP 79 Cb 1.08 -0.49 0.24 0.00 -0.72 0.00 0.00 41.12 41.23 2dhi n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dhi s LEU 81 N -1.19 4.11 -0.05 0.00 1.43 -0.45 -0.30 118.68 122.24 2dhi s LEU 81 Ca 0.35 0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 2dhi s LEU 81 Cb 0.20 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2dhi s LEU 81 CO 0.21 -0.08 -0.25 -0.22 0.23 0.00 0.00 176.35 176.24 2dhi s LEU 82 N 1.49 2.09 0.04 1.79 2.96 0.93 -1.26 118.68 126.72 2dhi s LEU 82 Ca 0.16 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2dhi s LEU 82 Cb -0.15 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2dhi s LEU 82 CO 0.08 0.26 -0.10 -1.58 -1.32 0.00 0.00 176.35 173.69 2dhi s GLN 83 N -0.23 0.66 -0.29 1.98 0.74 0.19 0.28 119.66 123.00 2dhi s GLN 83 Ca -0.02 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.73 2dhi s GLN 83 Cb -0.13 -0.57 0.09 0.00 1.10 0.00 0.00 33.01 33.49 2dhi s GLN 83 CO 0.03 0.13 0.03 0.42 -0.55 0.00 0.00 175.29 175.35 2dhi s ILE 84 N -0.98 1.50 -0.19 -2.34 -1.09 -1.08 -1.99 121.20 115.03 2dhi s ILE 84 Ca -0.03 -1.60 -0.29 0.00 -2.23 0.00 0.00 60.65 56.50 2dhi s ILE 84 Cb -0.08 -1.99 -0.00 0.00 -1.58 0.00 0.00 42.46 38.80 2dhi s ILE 84 CO 0.01 -0.45 1.14 -0.69 -1.23 0.00 0.00 174.94 173.71 2dhi s VAL 85 N 1.34 4.50 0.76 2.92 1.01 -0.80 -3.14 120.40 126.99 2dhi s VAL 85 Ca 0.05 1.81 -0.08 0.00 0.00 0.00 0.00 61.98 63.76 2dhi s VAL 85 Cb -0.18 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.12 2dhi s VAL 85 CO -0.13 -0.14 1.08 0.00 0.00 0.00 0.00 175.10 175.91 2dhi h ARG 87 N -0.81 -0.92 0.65 0.00 3.08 -1.71 -3.29 114.38 111.37 2dhi h ARG 87 Ca -0.44 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.64 2dhi h ARG 87 Cb 1.30 0.21 0.01 0.00 0.08 0.00 0.00 29.97 31.57 2dhi h ARG 87 CO 0.57 -0.62 -0.31 0.22 -1.07 0.00 0.00 179.97 178.76 2dhi h ASP 88 N -0.96 -0.73 0.00 7.04 1.82 -1.95 -3.48 116.42 118.16 2dhi h ASP 88 Ca -0.08 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2dhi h ASP 88 Cb 0.79 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.99 2dhi h ASP 88 CO 0.03 -0.51 0.00 0.61 -1.61 0.00 0.00 179.24 177.76 2dhi n GLY 89 N -1.27 0.13 2.77 -0.78 0.00 -1.24 -5.10 105.19 99.71 2dhi n GLY 89 Ca -0.11 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2dhi n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dhi n LYS 90 N 0.00 0.00 -3.74 1.61 4.81 -1.26 -4.37 118.16 115.21 2dhi n LYS 90 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 2dhi n LYS 90 Cb 0.00 -1.20 -0.07 0.00 0.02 0.00 0.00 35.03 33.78 2dhi n LYS 90 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2dhi s THR 91 N 6.83 5.40 -0.23 3.15 2.01 -1.26 -3.00 115.64 128.54 2dhi s THR 91 Ca 1.07 0.30 -0.05 0.00 0.31 0.00 0.00 61.69 63.32 2dhi s THR 91 Cb -1.04 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 67.97 2dhi s THR 91 CO 0.42 0.52 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.23 2dhi s ILE 92 N -0.31 3.68 -0.25 1.82 1.01 -1.19 -4.98 121.20 120.98 2dhi s ILE 92 Ca 0.13 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 2dhi s ILE 92 Cb -0.12 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 2dhi s ILE 92 CO 0.03 0.40 0.51 -0.44 0.00 0.00 0.00 174.94 175.43 2dhi s SER 93 N 1.51 6.44 0.17 3.58 0.01 -1.26 -2.62 113.70 121.54 2dhi s SER 93 Ca 0.06 0.53 0.06 0.00 1.31 0.00 0.00 55.95 57.92 2dhi s SER 93 Cb -0.14 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2dhi s SER 93 CO -0.01 -0.27 -0.13 -0.76 0.41 0.00 0.00 173.24 172.48 2dhi s LEU 94 N 2.20 2.51 -0.12 2.44 1.43 0.14 -1.22 118.68 126.07 2dhi s LEU 94 Ca 0.21 -0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 2dhi s LEU 94 Cb -0.16 -0.56 0.06 0.00 0.03 0.00 0.00 46.19 45.56 2dhi s LEU 94 CO 0.09 -0.20 0.19 0.00 0.23 0.00 0.00 176.35 176.66 2dhi s ALA 96 N 2.33 1.38 0.13 0.00 0.00 0.59 -2.27 121.76 123.92 2dhi s ALA 96 Ca 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 2dhi s ALA 96 Cb -0.13 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 2dhi s ALA 96 CO -0.08 -2.56 1.30 1.49 0.00 0.00 0.00 175.76 175.92 2dhi h GLU 97 N -1.70 0.28 -2.97 0.00 4.81 -1.88 -3.47 114.58 109.66 2dhi h GLU 97 Ca -0.52 -0.33 -0.12 0.00 -0.13 0.00 0.00 59.36 58.25 2dhi h GLU 97 Cb 1.33 0.10 -0.22 0.00 0.63 0.00 0.00 28.75 30.60 2dhi h GLU 97 CO 0.60 1.06 -0.28 0.45 -0.73 0.00 0.00 179.01 180.11 2dhi s SER 98 N -7.02 -0.26 0.25 1.04 0.15 -1.26 -4.99 113.70 101.60 2dhi s SER 98 Ca -0.04 0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.92 2dhi s SER 98 Cb 0.09 0.47 0.52 0.00 -1.71 0.00 0.00 66.02 65.39 2dhi s SER 98 CO 0.85 -0.33 1.30 0.41 1.20 0.00 0.00 173.24 176.68 2dhi n THR 99 N 1.89 -0.35 -0.23 6.45 -1.04 -1.26 0.18 114.28 119.92 2dhi n THR 99 Ca -0.18 1.87 0.00 0.00 -2.04 0.00 0.00 64.05 63.70 2dhi n THR 99 Cb 0.57 -2.66 0.12 0.00 -1.82 0.00 0.00 70.33 66.53 2dhi n THR 99 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2dhi h ASP 100 N 0.00 0.41 -0.37 8.00 3.58 -1.96 0.36 116.42 126.44 2dhi h ASP 100 Ca 0.46 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.89 2dhi h ASP 100 Cb 0.84 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 2dhi h ASP 100 CO -0.82 0.24 -0.01 0.44 -2.88 0.00 0.00 179.24 176.22 2dhi h ASP 101 N 0.56 0.72 -0.44 2.28 5.19 0.15 -0.97 116.42 123.91 2dhi h ASP 101 Ca 0.32 -0.17 -0.12 0.00 -0.62 0.00 0.00 57.03 56.44 2dhi h ASP 101 Cb 0.33 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2dhi h ASP 101 CO -0.26 0.80 -0.20 0.00 -3.12 0.00 0.00 179.24 176.46 2dhi h LEU 103 N 0.82 0.78 -0.54 0.00 3.38 -0.73 -2.32 115.31 116.71 2dhi h LEU 103 Ca 0.11 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.64 2dhi h LEU 103 Cb 0.76 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2dhi h LEU 103 CO 0.06 1.12 0.27 0.00 0.09 0.00 0.00 178.44 179.98 2dhi h ALA 104 N 0.69 0.69 -0.17 1.53 0.00 -1.13 -1.22 119.26 119.65 2dhi h ALA 104 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2dhi h ALA 104 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2dhi h ALA 104 CO 0.08 -0.08 0.02 -1.49 0.00 0.00 0.00 179.25 177.78 2dhi h TRP 105 N 0.52 0.31 0.18 0.00 4.06 -1.46 -2.57 115.95 116.98 2dhi h TRP 105 Ca 0.24 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 61.16 2dhi h TRP 105 Cb 0.16 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 2dhi h TRP 105 CO -0.10 0.46 -0.44 -0.22 -3.56 0.00 0.00 178.44 174.58 2dhi h LYS 106 N 0.06 -0.69 -0.60 0.49 3.64 -1.07 0.02 116.57 118.43 2dhi h LYS 106 Ca 0.05 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 2dhi h LYS 106 Cb 0.33 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.20 2dhi h LYS 106 CO 0.00 -0.46 0.02 0.74 -2.27 0.00 0.00 179.45 177.48 2dhi h PHE 107 N -0.72 -0.01 -0.87 1.91 0.04 -1.26 0.27 116.94 116.31 2dhi h PHE 107 Ca 0.00 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.86 2dhi h PHE 107 Cb 0.72 0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.91 2dhi h PHE 107 CO -0.36 -0.14 0.56 1.15 -0.60 0.00 0.00 178.31 178.92 2dhi h THR 108 N 0.13 1.13 -0.30 -1.55 2.02 -0.99 -1.92 112.91 111.43 2dhi h THR 108 Ca 0.32 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 2dhi h THR 108 Cb 0.50 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2dhi h THR 108 CO -0.50 0.20 -0.17 -0.07 0.37 0.00 0.00 175.52 175.34 2dhi h LEU 109 N 1.07 0.66 -1.10 2.58 3.38 0.92 -2.03 115.31 120.80 2dhi h LEU 109 Ca 0.35 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2dhi h LEU 109 Cb 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2dhi h LEU 109 CO -0.12 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.35 2dhi n GLN 110 N -4.37 0.15 -0.04 1.13 6.02 0.75 -2.22 117.38 118.79 2dhi n GLN 110 Ca -0.03 0.55 -0.22 0.00 -0.01 0.00 0.00 57.00 57.29 2dhi n GLN 110 Cb 0.39 -1.90 -0.13 0.00 1.02 0.00 0.00 30.24 29.62 2dhi n GLN 110 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2dhi n ASP 111 N -2.20 2.04 0.33 1.08 -0.08 -0.76 -4.06 116.55 112.90 2dhi n ASP 111 Ca -0.00 0.22 0.19 0.00 -1.51 0.00 0.00 54.79 53.69 2dhi n ASP 111 Cb 0.10 -0.83 1.00 0.00 2.34 0.00 0.00 41.12 43.73 2dhi n ASP 111 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2dhi h SER 112 N -0.23 0.00 0.05 1.67 4.64 -0.90 -2.36 113.55 116.42 2dhi h SER 112 Ca -0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2dhi h SER 112 Cb 1.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2dhi h SER 112 CO -0.03 0.00 -0.05 0.03 -0.87 0.00 0.00 176.83 175.91 2dhi h ARG 113 N 0.00 -0.10 0.00 4.77 3.08 -1.68 -2.57 114.38 117.88 2dhi h ARG 113 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2dhi h ARG 113 Cb 0.36 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2dhi h ARG 113 CO -0.00 -0.07 0.00 -2.37 -1.07 0.00 0.00 179.97 176.46 2dhi n THR 114 N -2.60 0.40 -1.96 2.04 5.66 -1.12 -3.39 114.28 113.30 2dhi n THR 114 Ca -0.01 0.10 -0.35 0.00 -3.05 0.00 0.00 64.05 60.74 2dhi n THR 114 Cb 0.05 -0.73 0.04 0.00 -1.55 0.00 0.00 70.33 68.14 2dhi n THR 114 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2dhi n SER 115 N -1.40 6.65 -4.85 1.09 2.88 -0.90 -5.01 113.62 112.08 2dhi n SER 115 Ca 0.08 -3.79 -0.21 0.00 -1.33 0.00 0.00 58.87 53.61 2dhi n SER 115 Cb 0.22 -0.84 -0.04 0.00 -0.75 0.00 0.00 64.21 62.80 2dhi n SER 115 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dhi s GLY 116 N -2.04 1.97 -0.72 0.46 0.00 -1.10 -4.61 107.32 101.29 2dhi s GLY 116 Ca 0.53 -1.79 -0.26 0.00 0.00 0.00 0.00 44.72 43.21 2dhi s GLY 116 CO -0.25 -1.66 1.90 2.56 0.00 0.00 0.00 173.10 175.64 2dhi s PRO 117 N -4.03 2.60 0.21 2.90 0.04 -1.25 -4.91 135.00 130.54 2dhi s PRO 117 Ca 0.44 0.27 -0.10 0.00 0.04 0.00 0.00 61.00 61.65 2dhi s PRO 117 Cb -0.04 -4.65 -0.01 0.00 0.04 0.00 0.00 34.50 29.84 2dhi s PRO 117 CO 0.27 -2.98 0.35 -1.12 0.04 0.00 0.00 177.00 173.55 2dhi s SER 118 N 8.09 -0.01 0.11 6.66 0.01 -1.26 -5.06 113.70 122.23 2dhi s SER 118 Ca 0.68 -0.97 -0.18 0.00 1.31 0.00 0.00 55.95 56.79 2dhi s SER 118 Cb -0.10 0.50 -0.06 0.00 0.21 0.00 0.00 66.02 66.57 2dhi s SER 118 CO 0.12 -1.00 1.63 0.77 0.41 0.00 0.00 173.24 175.18 2dhi h SER 119 N 2.42 0.41 0.00 2.44 4.64 -2.04 -3.54 113.55 117.87 2dhi h SER 119 Ca -0.30 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2dhi h SER 119 Cb 1.24 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2dhi h SER 119 CO 0.43 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.49