#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9x s SER 2 N 0.00 6.46 0.35 1.61 0.15 -1.26 -5.04 113.70 115.98 2d9x s SER 2 Ca 0.00 0.28 -0.27 0.00 0.70 0.00 0.00 55.95 56.66 2d9x s SER 2 Cb 0.00 -2.33 -0.09 0.00 -1.71 0.00 0.00 66.02 61.88 2d9x s SER 2 CO 0.00 -0.55 1.23 -0.44 1.20 0.00 0.00 173.24 174.68 2d9x s SER 3 N 1.73 6.72 0.00 5.45 0.01 -1.26 -4.52 113.70 121.83 2d9x s SER 3 Ca 0.25 2.50 0.00 0.00 1.31 0.00 0.00 55.95 60.02 2d9x s SER 3 Cb -0.15 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2d9x s SER 3 CO 0.14 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2d9x n GLY 4 N 0.80 0.63 3.62 3.44 0.00 -1.26 -5.05 105.19 107.38 2d9x n GLY 4 Ca 0.02 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2d9x n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d9x n SER 5 N 0.00 1.60 -0.10 1.61 3.41 -1.26 -4.94 113.62 113.94 2d9x n SER 5 Ca 0.00 1.12 -0.21 0.00 -0.26 0.00 0.00 58.87 59.52 2d9x n SER 5 Cb 0.00 -1.36 -0.11 0.00 -0.26 0.00 0.00 64.21 62.48 2d9x n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d9x n SER 6 N 0.81 1.86 0.00 4.04 3.41 -1.26 -5.05 113.62 117.43 2d9x n SER 6 Ca 0.08 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2d9x n SER 6 Cb 0.36 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2d9x n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d9x n GLY 7 N 1.44 2.36 4.43 5.00 0.00 -1.26 -4.97 105.19 112.19 2d9x n GLY 7 Ca -0.31 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2d9x n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d9x n GLU 8 N 0.00 -1.16 -2.17 1.61 1.02 -1.26 -4.69 120.64 113.98 2d9x n GLU 8 Ca 0.00 0.16 -0.40 0.00 -0.02 0.00 0.00 57.16 56.90 2d9x n GLU 8 Cb 0.00 -4.44 -0.02 0.00 -0.02 0.00 0.00 31.44 26.95 2d9x n GLU 8 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2d9x s ASN 9 N -3.61 6.78 -0.12 1.62 0.01 -1.26 -4.97 114.94 113.39 2d9x s ASN 9 Ca 0.57 2.60 -0.08 0.00 -0.71 0.00 0.00 52.86 55.23 2d9x s ASN 9 Cb -0.33 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.65 2d9x s ASN 9 CO 1.00 -0.52 0.17 -0.69 -1.51 0.00 0.00 177.10 175.56 2d9x s VAL 10 N -1.17 5.44 0.10 1.60 1.01 -1.26 -4.96 120.40 121.17 2d9x s VAL 10 Ca 0.50 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.62 2d9x s VAL 10 Cb -0.38 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.58 2d9x s VAL 10 CO 0.50 0.59 0.32 -0.72 0.00 0.00 0.00 175.10 175.79 2d9x s TYR 11 N -0.87 -0.08 0.00 5.22 -0.85 -1.26 0.07 117.35 119.57 2d9x s TYR 11 Ca 0.15 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 2d9x s TYR 11 Cb -0.12 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.35 2d9x s TYR 11 CO 0.04 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.87 2d9x n GLY 12 N -0.01 1.40 3.57 5.49 0.00 -0.91 -5.01 105.19 109.72 2d9x n GLY 12 Ca -0.16 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2d9x n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d9x s TYR 13 N -2.00 2.29 0.45 1.61 1.51 -1.26 -2.20 117.35 117.75 2d9x s TYR 13 Ca 0.00 0.34 0.07 0.00 -1.01 0.00 0.00 57.07 56.48 2d9x s TYR 13 Cb 0.00 -4.46 0.00 0.00 -0.11 0.00 0.00 41.96 37.39 2d9x s TYR 13 CO 0.00 -1.96 0.43 -0.51 -1.11 0.00 0.00 175.55 172.40 2d9x s LEU 14 N 6.00 3.26 -0.39 -1.29 1.43 -0.00 -4.67 118.68 123.02 2d9x s LEU 14 Ca 0.47 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2d9x s LEU 14 Cb -0.10 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.30 2d9x s LEU 14 CO 0.22 -0.80 0.18 -0.04 0.23 0.00 0.00 176.35 176.15 2d9x s MET 15 N -4.22 2.48 -0.21 1.70 -1.94 -1.21 -0.66 119.30 115.25 2d9x s MET 15 Ca 0.47 -1.44 -0.12 0.00 -1.71 0.00 0.00 55.69 52.89 2d9x s MET 15 Cb -0.04 -3.60 -0.05 0.00 2.01 0.00 0.00 34.83 33.15 2d9x s MET 15 CO 0.28 -0.87 0.22 0.21 -0.01 0.00 0.00 175.02 174.85 2d9x s LYS 16 N 1.35 4.16 -1.02 2.03 2.20 -0.91 -3.22 119.74 124.32 2d9x s LYS 16 Ca 0.02 -0.10 -0.27 0.00 -0.36 0.00 0.00 55.97 55.26 2d9x s LYS 16 Cb -0.22 -3.49 -0.22 0.00 -1.51 0.00 0.00 37.83 32.40 2d9x s LYS 16 CO 0.01 0.13 2.17 0.98 -0.36 0.00 0.00 175.35 178.28 2d9x n TYR 17 N 4.00 0.94 0.13 4.03 4.19 -1.15 -2.59 117.16 126.71 2d9x n TYR 17 Ca -0.13 -0.13 -0.15 0.00 3.31 0.00 0.00 57.90 60.79 2d9x n TYR 17 Cb 0.52 -2.60 -0.09 0.00 0.49 0.00 0.00 39.34 37.66 2d9x n TYR 17 CO 0.00 0.00 0.00 1.79 0.91 0.00 0.00 176.86 179.56 2d9x h THR 18 N 6.89 0.00 -2.93 2.97 1.35 -1.80 -3.47 112.91 115.91 2d9x h THR 18 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.76 2d9x h THR 18 Cb 1.00 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 2d9x h THR 18 CO 1.00 0.00 0.03 0.59 -0.25 0.00 0.00 175.52 176.90 2d9x n ASN 19 N -5.21 -1.11 0.32 5.36 4.13 -1.24 -4.99 115.26 112.52 2d9x n ASN 19 Ca -0.08 -2.07 -0.13 0.00 1.68 0.00 0.00 54.58 53.98 2d9x n ASN 19 Cb 0.38 1.93 -0.06 0.00 -1.54 0.00 0.00 39.78 40.49 2d9x n ASN 19 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2d9x h LEU 20 N 0.00 -0.72 0.02 3.41 6.46 -1.91 0.69 115.31 123.25 2d9x h LEU 20 Ca -0.18 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.63 2d9x h LEU 20 Cb 0.74 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.82 2d9x h LEU 20 CO 0.24 -0.33 -0.20 1.62 -0.62 0.00 0.00 178.44 179.15 2d9x h VAL 21 N -1.22 0.54 0.00 1.05 3.04 -2.02 -1.35 116.25 116.28 2d9x h VAL 21 Ca -0.09 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2d9x h VAL 21 Cb 0.65 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2d9x h VAL 21 CO 0.14 0.00 0.00 0.71 -1.01 0.00 0.00 177.57 177.41 2d9x h THR 22 N -0.33 0.00 0.00 3.17 1.35 -1.97 -3.47 112.91 111.67 2d9x h THR 22 Ca 0.05 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2d9x h THR 22 Cb 0.39 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2d9x h THR 22 CO -0.17 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.71 2d9x n GLY 23 N 0.14 0.31 3.31 5.82 0.00 0.24 -4.41 105.19 110.60 2d9x n GLY 23 Ca 0.01 0.67 -0.32 0.00 0.00 0.00 0.00 46.02 46.37 2d9x n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2d9x s TRP 24 N 0.00 2.69 -0.04 1.61 0.52 -1.26 -2.41 118.94 120.05 2d9x s TRP 24 Ca 0.00 -0.78 0.06 0.00 0.02 0.00 0.00 56.10 55.40 2d9x s TRP 24 Cb 0.00 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.54 2d9x s TRP 24 CO 0.00 -0.27 -0.21 -0.65 0.02 0.00 0.00 176.95 175.84 2d9x s GLN 25 N 0.27 2.01 -0.06 4.98 -0.21 -1.07 -4.92 119.66 120.67 2d9x s GLN 25 Ca -0.13 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 2d9x s GLN 25 Cb -0.16 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 32.01 2d9x s GLN 25 CO 0.07 0.36 1.39 0.71 -2.12 0.00 0.00 175.29 175.70 2d9x s TYR 26 N -0.21 2.72 0.10 0.91 2.02 -1.26 -2.14 117.35 119.48 2d9x s TYR 26 Ca 0.00 0.79 0.01 0.00 -0.37 0.00 0.00 57.07 57.50 2d9x s TYR 26 Cb -0.11 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 37.76 2d9x s TYR 26 CO 0.02 -2.41 -0.03 1.03 -1.57 0.00 0.00 175.55 172.58 2d9x s ARG 27 N 2.96 0.82 -0.21 -0.62 1.81 0.16 -4.98 118.95 118.89 2d9x s ARG 27 Ca 0.63 -1.34 -0.12 0.00 -1.72 0.00 0.00 55.73 53.18 2d9x s ARG 27 Cb -0.29 -0.02 -0.05 0.00 -0.45 0.00 0.00 34.95 34.14 2d9x s ARG 27 CO 0.24 -0.10 0.21 0.12 -0.68 0.00 0.00 175.30 175.10 2d9x s PHE 28 N -3.78 3.38 0.06 -0.53 5.36 -0.75 -0.82 117.98 120.89 2d9x s PHE 28 Ca 0.14 0.39 0.06 0.00 -0.96 0.00 0.00 56.93 56.56 2d9x s PHE 28 Cb 0.07 -2.29 -0.04 0.00 -0.34 0.00 0.00 43.02 40.42 2d9x s PHE 28 CO -0.04 0.15 -0.12 -0.06 -1.46 0.00 0.00 175.22 173.69 2d9x s PHE 29 N 0.78 2.71 -0.21 10.12 0.40 -0.94 -0.18 117.98 130.65 2d9x s PHE 29 Ca 0.11 -0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.24 2d9x s PHE 29 Cb -0.13 -1.48 0.07 0.00 0.51 0.00 0.00 43.02 41.99 2d9x s PHE 29 CO 0.03 0.35 0.08 0.08 0.70 0.00 0.00 175.22 176.46 2d9x s VAL 30 N -1.06 0.16 0.35 -0.44 1.01 -0.81 -2.14 120.40 117.47 2d9x s VAL 30 Ca 0.18 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.41 2d9x s VAL 30 Cb -0.11 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 2d9x s VAL 30 CO 0.09 -0.39 1.01 -0.22 0.00 0.00 0.00 175.10 175.60 2d9x s LEU 31 N 2.01 4.28 -0.18 3.92 2.96 0.11 -3.20 118.68 128.59 2d9x s LEU 31 Ca 0.03 1.99 -0.01 0.00 -0.22 0.00 0.00 54.13 55.92 2d9x s LEU 31 Cb -0.16 -4.04 -0.00 0.00 0.50 0.00 0.00 46.19 42.49 2d9x s LEU 31 CO -0.16 -0.27 -0.12 0.20 -1.32 0.00 0.00 176.35 174.68 2d9x s ASN 32 N -1.49 3.82 -0.09 3.68 0.01 -1.05 -3.98 114.94 115.85 2d9x s ASN 32 Ca 0.53 -0.46 0.08 0.00 -0.71 0.00 0.00 52.86 52.30 2d9x s ASN 32 Cb -0.22 -1.61 -0.24 0.00 0.41 0.00 0.00 41.25 39.59 2d9x s ASN 32 CO 0.28 0.04 0.49 -3.20 -1.51 0.00 0.00 177.10 173.21 2d9x n ASN 33 N 4.35 1.15 -0.01 -1.22 2.85 -1.26 -1.04 115.26 120.08 2d9x n ASN 33 Ca -0.19 0.30 -0.17 0.00 -0.11 0.00 0.00 54.58 54.41 2d9x n ASN 33 Cb 0.51 -0.18 -0.06 0.00 1.24 0.00 0.00 39.78 41.29 2d9x n ASN 33 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2d9x h GLU 34 N 0.02 0.75 0.04 1.20 4.57 -1.94 -3.36 114.58 115.86 2d9x h GLU 34 Ca -0.36 -0.62 -0.38 0.00 -1.18 0.00 0.00 59.36 56.81 2d9x h GLU 34 Cb 2.04 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 30.71 2d9x h GLU 34 CO 0.07 1.23 -2.28 0.00 -1.18 0.00 0.00 179.01 176.85 2d9x n ALA 35 N -2.60 1.21 -0.79 2.92 0.00 -1.26 -5.02 120.51 114.97 2d9x n ALA 35 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2d9x n ALA 35 Cb 0.76 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2d9x n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d9x n GLY 36 N 2.02 0.93 3.45 0.00 0.00 -0.21 -5.02 105.19 106.35 2d9x n GLY 36 Ca -0.42 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 2d9x n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9x s LEU 37 N 0.00 2.74 -0.40 0.99 1.43 -1.23 -3.06 118.68 119.15 2d9x s LEU 37 Ca 0.00 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.72 2d9x s LEU 37 Cb 0.00 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.66 2d9x s LEU 37 CO 0.00 0.29 0.30 -0.22 0.23 0.00 0.00 176.35 176.95 2d9x s LEU 38 N -0.41 4.98 0.44 1.79 2.96 -0.71 -2.53 118.68 125.19 2d9x s LEU 38 Ca 0.05 -0.79 0.07 0.00 -0.22 0.00 0.00 54.13 53.23 2d9x s LEU 38 Cb -0.12 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 2d9x s LEU 38 CO 0.02 -0.42 0.27 -1.61 -1.32 0.00 0.00 176.35 173.29 2d9x s GLU 39 N 1.71 2.32 -0.22 1.98 2.02 -1.19 -1.35 118.70 123.97 2d9x s GLU 39 Ca 0.06 -1.81 -0.09 0.00 0.02 0.00 0.00 54.97 53.15 2d9x s GLU 39 Cb -0.19 -2.10 0.09 0.00 0.10 0.00 0.00 34.13 32.04 2d9x s GLU 39 CO 0.10 -0.24 0.48 1.52 0.02 0.00 0.00 175.26 177.15 2d9x s TYR 40 N -2.60 -0.88 0.15 1.61 -0.85 -1.13 -1.93 117.35 111.72 2d9x s TYR 40 Ca 0.41 1.68 0.06 0.00 -0.52 0.00 0.00 57.07 58.69 2d9x s TYR 40 Cb 0.01 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 2d9x s TYR 40 CO 0.23 -0.49 0.06 -0.06 -1.52 0.00 0.00 175.55 173.77 2d9x s PHE 41 N 2.37 3.01 0.57 -3.49 0.08 0.74 -2.96 117.98 118.30 2d9x s PHE 41 Ca -0.05 -0.06 0.37 0.00 0.12 0.00 0.00 56.93 57.31 2d9x s PHE 41 Cb -0.11 -1.47 1.43 0.00 -0.57 0.00 0.00 43.02 42.31 2d9x s PHE 41 CO -0.14 0.51 1.62 0.28 -0.10 0.00 0.00 175.22 177.39 2d9x h VAL 42 N 2.34 0.17 -1.99 -0.44 2.07 -1.88 -1.99 116.25 114.53 2d9x h VAL 42 Ca -0.47 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.33 2d9x h VAL 42 Cb 1.19 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 2d9x h VAL 42 CO 0.61 0.00 0.77 0.54 0.02 0.00 0.00 177.57 179.51 2d9x s ASN 43 N -4.33 -0.03 0.42 0.57 2.20 -1.26 -4.27 114.94 108.23 2d9x s ASN 43 Ca -0.04 -0.30 0.14 0.00 -0.94 0.00 0.00 52.86 51.72 2d9x s ASN 43 Cb 0.21 0.26 0.89 0.00 -2.00 0.00 0.00 41.25 40.61 2d9x s ASN 43 CO 0.70 -0.50 1.93 -0.08 -2.94 0.00 0.00 177.10 176.21 2d9x h GLU 44 N 2.00 0.01 0.00 3.55 4.81 -1.92 -1.80 114.58 121.23 2d9x h GLU 44 Ca -0.26 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2d9x h GLU 44 Cb 1.20 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2d9x h GLU 44 CO 0.31 0.26 0.00 0.94 -0.73 0.00 0.00 179.01 179.79 2d9x n GLN 45 N -4.24 0.04 -3.29 1.92 7.27 -1.26 -3.24 117.38 114.59 2d9x n GLN 45 Ca -0.02 0.31 -0.29 0.00 0.07 0.00 0.00 57.00 57.07 2d9x n GLN 45 Cb 0.30 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.39 2d9x n GLN 45 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2d9x n SER 46 N -1.37 4.26 -0.10 1.69 7.64 -0.68 -4.78 113.62 120.28 2d9x n SER 46 Ca 0.02 -3.49 -0.17 0.00 1.01 0.00 0.00 58.87 56.25 2d9x n SER 46 Cb 0.05 -0.73 -0.13 0.00 -1.01 0.00 0.00 64.21 62.38 2d9x n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2d9x n ARG 47 N 0.71 0.67 -1.01 1.43 1.74 -1.20 -4.34 116.66 114.66 2d9x n ARG 47 Ca 0.30 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 57.31 2d9x n ARG 47 Cb 0.39 -1.56 0.11 0.00 -1.02 0.00 0.00 32.46 30.39 2d9x n ARG 47 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2d9x n ASN 48 N -3.19 4.74 -4.34 0.55 5.15 -1.26 -4.91 115.26 112.00 2d9x n ASN 48 Ca -0.40 -3.32 -0.18 0.00 -0.60 0.00 0.00 54.58 50.08 2d9x n ASN 48 Cb 1.03 -0.84 -0.10 0.00 -0.53 0.00 0.00 39.78 39.34 2d9x n ASN 48 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2d9x s GLN 49 N -2.69 1.31 0.20 1.20 -0.44 -1.26 -5.11 119.66 112.87 2d9x s GLN 49 Ca 0.46 -1.62 -0.32 0.00 -2.50 0.00 0.00 55.36 51.39 2d9x s GLN 49 Cb 0.38 -0.88 -0.12 0.00 -1.64 0.00 0.00 33.01 30.75 2d9x s GLN 49 CO 0.06 0.06 1.74 1.17 0.50 0.00 0.00 175.29 178.82 2d9x n LYS 50 N -0.39 2.79 -2.25 1.67 3.00 -1.26 -4.94 118.16 116.78 2d9x n LYS 50 Ca -0.07 1.01 -0.41 0.00 -0.00 0.00 0.00 58.31 58.84 2d9x n LYS 50 Cb 0.62 -2.86 -0.03 0.00 0.00 0.00 0.00 35.03 32.76 2d9x n LYS 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2d9x s PRO 51 N 1.39 4.45 0.47 1.64 0.04 -1.26 -4.92 135.00 136.80 2d9x s PRO 51 Ca 0.76 2.05 0.17 0.00 0.04 0.00 0.00 61.00 64.02 2d9x s PRO 51 Cb -0.50 -3.14 1.14 0.00 0.04 0.00 0.00 34.50 32.04 2d9x s PRO 51 CO 0.33 -0.09 2.04 0.00 0.04 0.00 0.00 177.00 179.31 2d9x h ARG 52 N 4.09 0.00 -1.39 4.56 2.47 -1.90 -3.45 114.38 118.77 2d9x h ARG 52 Ca -0.47 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.38 2d9x h ARG 52 Cb 1.22 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.28 2d9x h ARG 52 CO 0.69 0.14 0.66 0.20 0.56 0.00 0.00 179.97 182.23 2d9x s GLY 53 N -4.17 -0.08 0.16 0.04 0.00 -1.26 -5.06 107.32 96.96 2d9x s GLY 53 Ca -0.04 2.55 0.04 0.00 0.00 0.00 0.00 44.72 47.27 2d9x s GLY 53 CO 0.67 1.34 -0.08 -0.51 0.00 0.00 0.00 173.10 174.53 2d9x s THR 54 N -0.65 1.08 -0.09 0.90 -4.23 -1.26 -2.83 115.64 108.56 2d9x s THR 54 Ca 0.03 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 2d9x s THR 54 Cb -0.02 -1.92 0.04 0.00 1.34 0.00 0.00 72.50 71.94 2d9x s THR 54 CO -0.05 -0.68 0.21 -0.22 -0.54 0.00 0.00 174.62 173.34 2d9x s LEU 55 N -3.18 0.58 0.26 4.79 2.96 -0.46 -4.97 118.68 118.66 2d9x s LEU 55 Ca 0.18 0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 54.23 2d9x s LEU 55 Cb 0.03 0.60 -0.09 0.00 0.50 0.00 0.00 46.19 47.23 2d9x s LEU 55 CO 0.01 -0.15 1.17 -1.10 -1.32 0.00 0.00 176.35 174.96 2d9x s GLN 56 N 1.14 4.54 -0.21 1.98 -0.21 -1.26 -1.75 119.66 123.89 2d9x s GLN 56 Ca -0.09 1.91 0.09 0.00 0.02 0.00 0.00 55.36 57.30 2d9x s GLN 56 Cb -0.10 -3.18 -0.19 0.00 1.00 0.00 0.00 33.01 30.53 2d9x s GLN 56 CO -0.07 0.04 -0.08 1.28 -2.12 0.00 0.00 175.29 174.34 2d9x n LEU 57 N 1.52 1.53 -4.52 2.90 4.77 -1.17 -4.66 117.00 117.37 2d9x n LEU 57 Ca 0.01 -0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.65 2d9x n LEU 57 Cb 0.44 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.17 2d9x n LEU 57 CO 0.56 0.69 1.96 0.00 -1.33 0.00 0.00 177.39 179.26 2d9x n ALA 58 N -2.96 0.73 -0.16 -1.18 0.00 -1.26 0.87 120.51 116.56 2d9x n ALA 58 Ca -0.37 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.27 2d9x n ALA 58 Cb 1.03 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2d9x n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d9x n GLY 59 N 6.07 1.68 3.88 0.00 0.00 -1.18 -4.69 105.19 110.95 2d9x n GLY 59 Ca 0.60 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.35 2d9x n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d9x s ALA 60 N -2.02 3.97 -0.03 4.61 0.00 0.25 -2.07 121.76 126.47 2d9x s ALA 60 Ca 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 51.96 50.32 2d9x s ALA 60 Cb 0.00 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 2d9x s ALA 60 CO 0.00 -0.05 -0.13 0.08 0.00 0.00 0.00 175.76 175.65 2d9x s VAL 61 N -2.32 1.13 -0.20 0.00 1.01 -1.26 -4.86 120.40 113.90 2d9x s VAL 61 Ca 0.43 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2d9x s VAL 61 Cb -0.06 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2d9x s VAL 61 CO 0.28 0.33 -0.00 -0.63 0.00 0.00 0.00 175.10 175.08 2d9x s ILE 62 N 0.11 3.94 -0.40 2.22 1.09 -1.26 -1.00 121.20 125.90 2d9x s ILE 62 Ca -0.03 -0.32 0.01 0.00 -1.10 0.00 0.00 60.65 59.21 2d9x s ILE 62 Cb -0.10 -2.78 0.13 0.00 -1.06 0.00 0.00 42.46 38.65 2d9x s ILE 62 CO 0.01 0.43 0.20 -0.55 -0.10 0.00 0.00 174.94 174.94 2d9x s SER 63 N 0.96 3.69 0.14 3.58 0.15 -1.19 -5.03 113.70 116.00 2d9x s SER 63 Ca 0.01 -2.36 -0.31 0.00 0.70 0.00 0.00 55.95 54.00 2d9x s SER 63 Cb -0.14 -0.95 -0.08 0.00 -1.71 0.00 0.00 66.02 63.14 2d9x s SER 63 CO 0.02 -0.31 1.34 -2.16 1.20 0.00 0.00 173.24 173.33 2d9x s PRO 64 N 0.71 4.36 0.94 5.44 0.04 -1.26 -3.45 135.00 141.78 2d9x s PRO 64 Ca 0.16 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.10 2d9x s PRO 64 Cb -0.23 -3.23 0.20 0.00 0.04 0.00 0.00 34.50 31.28 2d9x s PRO 64 CO -0.05 -0.34 1.29 0.45 0.04 0.00 0.00 177.00 178.38 2d9x s SER 65 N 0.78 3.16 0.00 6.66 0.15 -1.24 -4.98 113.70 118.22 2d9x s SER 65 Ca 0.61 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2d9x s SER 65 Cb -0.36 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2d9x s SER 65 CO 0.33 -2.69 0.00 -0.67 1.20 0.00 0.00 173.24 171.42 2d9x n ASP 66 N -3.66 4.30 0.00 5.45 -0.08 -1.26 -4.82 116.55 116.48 2d9x n ASP 66 Ca 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 2d9x n ASP 66 Cb 0.59 0.70 0.00 0.00 2.34 0.00 0.00 41.12 44.76 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2d9x n GLU 67 N -1.47 0.00 -3.47 -0.67 1.02 -1.26 -4.35 120.64 110.44 2d9x n GLU 67 Ca 0.00 0.73 -0.38 0.00 -0.02 0.00 0.00 57.16 57.50 2d9x n GLU 67 Cb 0.16 -1.20 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 2d9x n GLU 67 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d9x s ASP 68 N -2.93 6.70 0.11 1.62 1.01 -1.26 -5.00 116.67 116.93 2d9x s ASP 68 Ca 0.00 0.83 -0.22 0.00 0.71 0.00 0.00 52.55 53.87 2d9x s ASP 68 Cb 0.00 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 2d9x s ASP 68 CO 0.00 0.20 1.24 -1.20 0.21 0.00 0.00 175.17 175.62 2d9x n SER 69 N 2.63 -0.74 -4.41 0.27 7.64 -1.26 -3.54 113.62 114.21 2d9x n SER 69 Ca -0.12 1.41 -0.44 0.00 1.01 0.00 0.00 58.87 60.73 2d9x n SER 69 Cb 0.52 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.40 2d9x n SER 69 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2d9x s HIS 70 N -4.97 3.18 -0.18 1.43 3.76 -1.26 -4.77 115.29 112.49 2d9x s HIS 70 Ca -0.08 -0.79 -0.29 0.00 -0.15 0.00 0.00 55.06 53.75 2d9x s HIS 70 Cb 0.08 -3.25 0.12 0.00 1.11 0.00 0.00 32.58 30.64 2d9x s HIS 70 CO 0.43 -0.86 0.99 0.99 -0.85 0.00 0.00 174.74 175.45 2d9x s THR 71 N 1.95 0.00 -0.20 1.30 2.01 -1.23 -4.55 115.64 114.91 2d9x s THR 71 Ca 0.08 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 2d9x s THR 71 Cb -0.22 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.44 2d9x s THR 71 CO 0.08 0.00 1.16 0.72 -0.69 0.00 0.00 174.62 175.89 2d9x s PHE 72 N -0.84 -0.21 0.21 4.92 -0.12 -1.17 -3.64 117.98 117.13 2d9x s PHE 72 Ca -0.01 0.30 0.11 0.00 -0.05 0.00 0.00 56.93 57.28 2d9x s PHE 72 Cb -0.01 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 2d9x s PHE 72 CO 0.00 -0.22 -0.19 0.95 -0.05 0.00 0.00 175.22 175.72 2d9x s THR 73 N -1.44 2.62 -0.36 -4.49 -4.23 -1.22 -2.78 115.64 103.74 2d9x s THR 73 Ca 0.04 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 2d9x s THR 73 Cb -0.01 -2.29 0.11 0.00 1.34 0.00 0.00 72.50 71.65 2d9x s THR 73 CO -0.03 -0.17 0.14 -0.69 -0.54 0.00 0.00 174.62 173.33 2d9x s VAL 74 N -1.83 1.25 1.17 2.29 1.01 -0.71 -3.18 120.40 120.39 2d9x s VAL 74 Ca 0.24 -1.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.08 2d9x s VAL 74 Cb -0.08 -1.92 0.29 0.00 0.00 0.00 0.00 36.38 34.68 2d9x s VAL 74 CO 0.12 -0.74 1.07 0.59 0.00 0.00 0.00 175.10 176.14 2d9x n ASN 75 N 4.31 -1.89 -3.78 3.32 3.02 -0.17 -1.66 115.26 118.40 2d9x n ASN 75 Ca 0.02 -1.17 -0.13 0.00 -0.03 0.00 0.00 54.58 53.28 2d9x n ASN 75 Cb 0.39 -0.97 -0.11 0.00 -0.61 0.00 0.00 39.78 38.48 2d9x n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d9x s ALA 76 N -3.09 -0.68 0.11 5.41 0.00 -0.43 -3.99 121.76 119.09 2d9x s ALA 76 Ca 0.69 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 2d9x s ALA 76 Cb -0.06 -0.33 -0.08 0.00 0.00 0.00 0.00 23.12 22.65 2d9x s ALA 76 CO 0.52 -0.16 1.43 0.00 0.00 0.00 0.00 175.76 177.56 2d9x h ALA 77 N 5.29 -0.63 -0.70 0.00 0.00 -1.68 -0.41 119.26 121.13 2d9x h ALA 77 Ca -0.27 0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.81 2d9x h ALA 77 Cb 1.19 1.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.97 2d9x h ALA 77 CO 0.35 -0.87 0.04 0.77 0.00 0.00 0.00 179.25 179.54 2d9x h SER 78 N -0.25 -0.24 0.00 0.00 0.02 -1.93 -3.46 113.55 107.70 2d9x h SER 78 Ca 0.07 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2d9x h SER 78 Cb 0.44 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2d9x h SER 78 CO -0.54 -0.12 0.00 0.61 -1.14 0.00 0.00 176.83 175.64 2d9x n GLY 79 N -1.38 0.41 3.62 -3.77 0.00 -0.16 -5.17 105.19 98.72 2d9x n GLY 79 Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 2d9x n GLY 79 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2d9x s GLU 80 N 0.00 0.57 -0.05 1.61 2.12 -1.24 -4.94 118.70 116.77 2d9x s GLU 80 Ca 0.00 1.14 -0.03 0.00 0.36 0.00 0.00 54.97 56.44 2d9x s GLU 80 Cb 0.00 0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.73 2d9x s GLU 80 CO 0.00 -0.15 0.11 -1.14 -0.54 0.00 0.00 175.26 173.55 2d9x s GLN 81 N 2.04 3.26 -0.14 4.30 0.74 -1.26 -1.31 119.66 127.28 2d9x s GLN 81 Ca -0.08 -0.33 0.01 0.00 0.05 0.00 0.00 55.36 55.01 2d9x s GLN 81 Cb -0.07 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 31.04 2d9x s GLN 81 CO -0.19 0.70 -0.19 0.71 -0.55 0.00 0.00 175.29 175.78 2d9x s TYR 82 N -1.14 2.72 -0.53 1.67 1.51 -0.67 -4.92 117.35 116.00 2d9x s TYR 82 Ca 0.20 -1.16 -0.20 0.00 -1.01 0.00 0.00 57.07 54.91 2d9x s TYR 82 Cb -0.12 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 39.95 2d9x s TYR 82 CO 0.11 -0.52 0.67 0.21 -1.11 0.00 0.00 175.55 174.91 2d9x s LYS 83 N 0.77 3.13 0.35 -0.62 2.20 -1.26 -1.74 119.74 122.57 2d9x s LYS 83 Ca -0.07 -0.89 0.04 0.00 -0.36 0.00 0.00 55.97 54.69 2d9x s LYS 83 Cb -0.16 -4.12 -0.06 0.00 -1.51 0.00 0.00 37.83 31.98 2d9x s LYS 83 CO -0.00 -1.30 0.05 -0.51 -0.36 0.00 0.00 175.35 173.23 2d9x s LEU 84 N 2.78 2.31 -0.12 5.43 1.43 -1.12 -2.94 118.68 126.45 2d9x s LEU 84 Ca 0.16 -1.41 -0.05 0.00 -1.03 0.00 0.00 54.13 51.80 2d9x s LEU 84 Cb -0.19 -0.48 0.06 0.00 0.03 0.00 0.00 46.19 45.61 2d9x s LEU 84 CO 0.12 -0.61 0.27 -0.60 0.23 0.00 0.00 176.35 175.76 2d9x s ARG 85 N -3.84 0.20 0.92 1.70 3.52 -1.20 -3.04 118.95 117.21 2d9x s ARG 85 Ca 0.34 0.64 -0.12 0.00 -0.13 0.00 0.00 55.73 56.47 2d9x s ARG 85 Cb 0.08 -0.07 0.14 0.00 -1.56 0.00 0.00 34.95 33.55 2d9x s ARG 85 CO 0.15 -0.21 1.09 0.00 -0.81 0.00 0.00 175.30 175.53 2d9x s ALA 86 N 1.73 1.38 0.37 6.12 0.00 -1.26 -3.28 121.76 126.82 2d9x s ALA 86 Ca -0.05 -0.07 0.17 0.00 0.00 0.00 0.00 51.96 52.01 2d9x s ALA 86 Cb -0.11 -3.20 0.92 0.00 0.00 0.00 0.00 23.12 20.73 2d9x s ALA 86 CO -0.09 -2.49 1.90 0.00 0.00 0.00 0.00 175.76 175.07 2d9x h THR 87 N -1.65 1.05 -2.32 0.00 1.03 -1.90 -3.47 112.91 105.66 2d9x h THR 87 Ca -0.50 -1.04 0.17 0.00 -0.01 0.00 0.00 66.41 65.03 2d9x h THR 87 Cb 1.29 1.58 -0.09 0.00 -1.07 0.00 0.00 68.15 69.86 2d9x h THR 87 CO 0.54 0.28 0.49 1.51 -0.01 0.00 0.00 175.52 178.33 2d9x s ASP 88 N -6.72 -0.20 0.28 0.00 1.47 -1.26 -4.99 116.67 105.24 2d9x s ASP 88 Ca -0.03 -0.34 0.01 0.00 1.18 0.00 0.00 52.55 53.37 2d9x s ASP 88 Cb 0.14 0.47 0.54 0.00 -0.34 0.00 0.00 42.92 43.73 2d9x s ASP 88 CO 0.69 -0.85 1.82 0.00 0.68 0.00 0.00 175.17 177.51 2d9x h ALA 89 N 2.00 1.46 0.00 2.11 0.00 -1.90 0.33 119.26 123.26 2d9x h ALA 89 Ca -0.24 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2d9x h ALA 89 Cb 1.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2d9x h ALA 89 CO 0.26 0.17 0.00 -0.22 0.00 0.00 0.00 179.25 179.46 2d9x h LYS 90 N 0.93 0.00 0.00 0.00 3.64 -1.97 -2.50 116.57 116.67 2d9x h LYS 90 Ca 0.49 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.71 2d9x h LYS 90 Cb 0.51 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 2d9x h LYS 90 CO -0.28 0.00 -1.58 -1.91 -2.27 0.00 0.00 179.45 173.41 2d9x n GLU 91 N -2.91 0.63 0.15 1.90 4.07 0.96 -4.23 120.64 121.21 2d9x n GLU 91 Ca 0.00 0.13 -0.16 0.00 -0.06 0.00 0.00 57.16 57.07 2d9x n GLU 91 Cb 0.24 -1.74 -0.09 0.00 -0.06 0.00 0.00 31.44 29.80 2d9x n GLU 91 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2d9x h ARG 92 N 0.00 -0.75 -1.00 5.31 2.43 -0.50 -1.65 114.38 118.22 2d9x h ARG 92 Ca -0.18 0.05 0.17 0.00 -0.81 0.00 0.00 59.98 59.22 2d9x h ARG 92 Cb 1.54 0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 31.16 2d9x h ARG 92 CO 0.03 -0.50 0.62 -0.56 -1.51 0.00 0.00 179.97 178.05 2d9x h GLN 93 N -0.78 0.80 -0.00 0.20 -0.00 -1.77 -1.26 115.11 112.30 2d9x h GLN 93 Ca -0.02 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.61 2d9x h GLN 93 Cb 0.75 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.48 28.00 2d9x h GLN 93 CO -0.22 0.53 -0.28 1.25 -0.00 0.00 0.00 178.83 180.12 2d9x h HIS 94 N 0.83 -0.75 0.32 0.06 2.76 -1.50 0.66 115.15 117.52 2d9x h HIS 94 Ca 0.56 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.74 2d9x h HIS 94 Cb 0.79 0.33 0.00 0.00 1.55 0.00 0.00 27.41 30.09 2d9x h HIS 94 CO -0.00 -0.37 -0.15 -1.49 -1.30 0.00 0.00 177.93 174.61 2d9x h TRP 95 N -0.42 -0.40 -1.25 5.26 4.06 -0.61 0.17 115.95 122.77 2d9x h TRP 95 Ca 0.06 -0.01 0.45 0.00 2.06 0.00 0.00 58.89 61.45 2d9x h TRP 95 Cb 0.51 0.13 -0.15 0.00 -1.00 0.00 0.00 29.16 28.65 2d9x h TRP 95 CO -0.31 -0.25 0.77 0.28 -3.56 0.00 0.00 178.44 175.37 2d9x h VAL 96 N -0.50 0.05 0.10 1.49 2.07 -1.28 0.17 116.25 118.36 2d9x h VAL 96 Ca -0.04 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2d9x h VAL 96 Cb 0.33 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2d9x h VAL 96 CO 0.07 0.01 -0.05 0.28 0.02 0.00 0.00 177.57 177.90 2d9x h SER 97 N 0.04 -0.11 -1.04 0.57 0.02 -0.74 -0.23 113.55 112.05 2d9x h SER 97 Ca 0.85 0.00 0.36 0.00 -0.84 0.00 0.00 61.79 62.16 2d9x h SER 97 Cb 2.56 0.03 -0.15 0.00 0.14 0.00 0.00 62.40 64.98 2d9x h SER 97 CO -0.55 0.02 0.60 0.03 -1.14 0.00 0.00 176.83 175.80 2d9x h ARG 98 N -0.34 0.22 0.12 3.45 2.47 0.10 0.56 114.38 120.96 2d9x h ARG 98 Ca -0.01 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2d9x h ARG 98 Cb 0.10 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2d9x h ARG 98 CO 0.02 0.14 -0.06 -0.07 0.56 0.00 0.00 179.97 180.57 2d9x h LEU 99 N 0.22 -0.14 -1.71 3.04 3.38 -0.79 -2.28 115.31 117.03 2d9x h LEU 99 Ca 0.77 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 58.33 2d9x h LEU 99 Cb 1.91 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 2d9x h LEU 99 CO -0.61 0.44 0.45 1.56 0.09 0.00 0.00 178.44 180.37 2d9x h GLN 100 N -0.84 0.00 0.00 1.13 4.20 0.93 0.15 115.11 120.69 2d9x h GLN 100 Ca -0.02 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 2d9x h GLN 100 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2d9x h GLN 100 CO 0.03 0.00 -0.57 0.82 -0.67 0.00 0.00 178.83 178.44 2d9x h ILE 101 N 0.00 0.41 -0.82 2.54 2.04 -1.05 -3.28 117.51 117.35 2d9x h ILE 101 Ca 0.02 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 64.51 2d9x h ILE 101 Cb 0.92 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 2d9x h ILE 101 CO -0.00 0.14 0.54 0.00 0.00 0.00 0.00 178.15 178.82 2d9x h THR 103 N 0.89 1.10 0.01 0.00 1.03 -0.91 -2.43 112.91 112.59 2d9x h THR 103 Ca 0.35 -0.19 -0.00 0.00 -0.01 0.00 0.00 66.41 66.57 2d9x h THR 103 Cb 0.24 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 67.83 2d9x h THR 103 CO -0.13 0.10 -0.00 -0.61 -0.01 0.00 0.00 175.52 174.87 2d9x h GLN 104 N 0.55 -0.01 -1.82 0.00 4.15 -1.44 -2.33 115.11 114.20 2d9x h GLN 104 Ca 0.15 0.00 0.53 0.00 0.77 0.00 0.00 58.65 60.10 2d9x h GLN 104 Cb -0.06 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.56 2d9x h GLN 104 CO -0.04 0.01 1.31 1.58 -1.93 0.00 0.00 178.83 179.76 2d9x n HIS 105 N -4.78 0.01 -0.04 3.99 -0.00 0.17 -0.14 115.22 114.42 2d9x n HIS 105 Ca -0.00 0.01 -0.02 0.00 0.46 0.00 0.00 57.72 58.16 2d9x n HIS 105 Cb 0.01 -0.46 -0.01 0.00 -0.12 0.00 0.00 29.99 29.41 2d9x n HIS 105 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2d9x h HIS 106 N 0.00 0.00 -1.41 1.57 3.86 -1.52 -3.15 115.15 114.49 2d9x h HIS 106 Ca 0.87 0.00 0.41 0.00 -1.16 0.00 0.00 60.37 60.49 2d9x h HIS 106 Cb 3.48 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 31.89 2d9x h HIS 106 CO -0.00 0.00 1.01 0.00 0.86 0.00 0.00 177.93 179.80 2d9x h THR 107 N -0.67 0.28 0.07 2.45 1.03 -0.49 1.11 112.91 116.69 2d9x h THR 107 Ca 0.00 -0.01 -0.25 0.00 -0.01 0.00 0.00 66.41 66.14 2d9x h THR 107 Cb 0.26 0.24 -0.00 0.00 -1.07 0.00 0.00 68.15 67.58 2d9x h THR 107 CO 0.00 0.01 -1.11 -0.08 -0.01 0.00 0.00 175.52 174.33 2d9x h GLU 108 N 0.03 0.23 -0.32 0.00 4.57 -0.70 -3.30 114.58 115.09 2d9x h GLU 108 Ca 0.69 -0.35 -0.16 0.00 -1.18 0.00 0.00 59.36 58.36 2d9x h GLU 108 Cb 2.67 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 31.38 2d9x h GLU 108 CO -0.06 1.13 -0.42 0.00 -1.18 0.00 0.00 179.01 178.48 2d9x h ALA 109 N 0.73 0.48 -1.06 2.92 0.00 0.12 -3.44 119.26 119.03 2d9x h ALA 109 Ca -0.09 -0.46 -0.73 0.00 0.00 0.00 0.00 54.91 53.62 2d9x h ALA 109 Cb 1.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2d9x h ALA 109 CO 0.18 0.61 1.13 -0.89 0.00 0.00 0.00 179.25 180.28 2d9x n ILE 110 N -4.10 0.19 0.00 0.00 5.41 -0.21 -4.58 119.36 116.06 2d9x n ILE 110 Ca -0.04 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.61 2d9x n ILE 110 Cb 0.56 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 2d9x n ILE 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2d9x n GLY 111 N 5.59 -0.21 3.33 7.39 0.00 -1.26 -5.02 105.19 115.01 2d9x n GLY 111 Ca 0.37 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2d9x n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2d9x n LYS 112 N 0.00 0.14 -4.93 1.61 0.00 -1.26 -4.96 118.16 108.76 2d9x n LYS 112 Ca 0.00 0.05 -0.33 0.00 -0.00 0.00 0.00 58.31 58.04 2d9x n LYS 112 Cb 0.00 -1.14 -0.15 0.00 -0.00 0.00 0.00 35.03 33.74 2d9x n LYS 112 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2d9x s ASN 113 N -1.00 3.70 -0.10 -5.58 -0.87 -1.26 -5.11 114.94 104.71 2d9x s ASN 113 Ca 0.60 -0.40 -0.30 0.00 -1.57 0.00 0.00 52.86 51.19 2d9x s ASN 113 Cb -0.60 -1.52 0.08 0.00 -0.02 0.00 0.00 41.25 39.19 2d9x s ASN 113 CO 0.62 0.17 0.73 0.54 -2.57 0.00 0.00 177.10 176.58 2d9x s ASN 114 N 0.32 -0.64 0.09 -1.22 2.20 -1.26 -5.06 114.94 109.37 2d9x s ASN 114 Ca -0.13 0.82 -0.17 0.00 -0.94 0.00 0.00 52.86 52.44 2d9x s ASN 114 Cb -0.16 0.69 -0.08 0.00 -2.00 0.00 0.00 41.25 39.69 2d9x s ASN 114 CO 0.07 -0.51 1.48 0.28 -2.94 0.00 0.00 177.10 175.47 2d9x h SER 115 N 3.33 0.56 -4.47 3.54 0.02 -2.02 -3.50 113.55 111.01 2d9x h SER 115 Ca -0.27 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 2d9x h SER 115 Cb 1.15 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2d9x h SER 115 CO 0.32 0.81 0.00 0.61 -1.14 0.00 0.00 176.83 177.43 2d9x n GLY 116 N -0.12 2.96 0.08 -3.77 0.00 -1.26 -4.85 105.19 98.23 2d9x n GLY 116 Ca -0.03 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 2d9x n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9x h PRO 117 N 0.00 0.13 -3.48 1.61 0.13 -2.07 -3.47 132.00 124.86 2d9x h PRO 117 Ca 0.00 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 2d9x h PRO 117 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.97 2d9x h PRO 117 CO 0.00 0.58 -0.33 -1.12 -0.23 0.00 0.00 178.00 176.90 2d9x s SER 118 N -5.85 -0.03 -0.30 1.44 0.01 -1.26 -5.15 113.70 102.56 2d9x s SER 118 Ca -0.15 -0.32 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 2d9x s SER 118 Cb 0.03 0.33 0.17 0.00 0.21 0.00 0.00 66.02 66.76 2d9x s SER 118 CO 0.70 -0.60 0.86 -0.55 0.41 0.00 0.00 173.24 174.06 2d9x s SER 119 N -2.17 -0.84 0.00 2.44 0.15 -1.26 -5.15 113.70 106.87 2d9x s SER 119 Ca -0.04 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2d9x s SER 119 Cb -0.00 1.78 0.00 0.00 -1.71 0.00 0.00 66.02 66.09 2d9x s SER 119 CO -0.05 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.85