#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 5.20 0.23 1.61 0.01 -1.26 -5.10 113.70 114.39 2d9x s SER 2 Ca 0.00 -0.86 0.05 0.00 1.31 0.00 0.00 55.95 56.45 2d9x s SER 2 Cb 0.00 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 2d9x s SER 2 CO 0.00 -0.24 0.35 -0.44 0.41 0.00 0.00 173.24 173.32 2d9x s SER 3 N 1.47 6.32 -0.30 2.44 0.01 -1.26 -5.02 113.70 117.37 2d9x s SER 3 Ca 0.01 0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 2d9x s SER 3 Cb -0.18 -1.87 0.19 0.00 0.21 0.00 0.00 66.02 64.37 2d9x s SER 3 CO 0.03 -0.06 0.73 -0.83 0.41 0.00 0.00 173.24 173.52 2d9x s GLY 4 N -3.89 -1.03 -0.12 3.44 0.00 -1.26 -5.04 107.32 99.43 2d9x s GLY 4 Ca 0.34 1.66 -0.19 0.00 0.00 0.00 0.00 44.72 46.53 2d9x s GLY 4 CO 0.29 3.71 0.56 1.76 0.00 0.00 0.00 173.10 179.42 2d9x h SER 5 N 7.86 0.28 -1.53 1.64 0.02 -2.05 -3.47 113.55 116.30 2d9x h SER 5 Ca -0.09 -0.83 -0.70 0.00 -0.84 0.00 0.00 61.79 59.33 2d9x h SER 5 Cb 1.18 -0.09 0.06 0.00 0.14 0.00 0.00 62.40 63.69 2d9x h SER 5 CO 0.10 1.51 0.22 -1.20 -1.14 0.00 0.00 176.83 176.32 2d9x n SER 6 N -4.10 0.91 -2.99 3.07 7.64 -1.26 -4.93 113.62 111.96 2d9x n SER 6 Ca -0.23 1.14 -0.17 0.00 1.01 0.00 0.00 58.87 60.62 2d9x n SER 6 Cb 0.81 -1.11 -0.01 0.00 -1.01 0.00 0.00 64.21 62.89 2d9x n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d9x n GLY 7 N 2.06 1.57 3.70 0.23 0.00 -1.26 -5.12 105.19 106.37 2d9x n GLY 7 Ca 0.18 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 2d9x n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d9x s GLU 8 N -0.34 4.19 -0.31 1.61 0.41 -1.26 -5.01 118.70 117.98 2d9x s GLU 8 Ca 0.34 -0.02 -0.36 0.00 -0.41 0.00 0.00 54.97 54.51 2d9x s GLU 8 Cb 0.20 -3.47 -0.13 0.00 -1.78 0.00 0.00 34.13 28.95 2d9x s GLU 8 CO -0.17 0.15 2.07 0.27 -0.49 0.00 0.00 175.26 177.08 2d9x n ASN 9 N 3.92 2.27 -4.71 -0.19 0.23 -1.26 -4.91 115.26 110.61 2d9x n ASN 9 Ca -0.13 0.62 -0.38 0.00 -0.53 0.00 0.00 54.58 54.16 2d9x n ASN 9 Cb 0.52 -1.23 -0.06 0.00 -2.08 0.00 0.00 39.78 36.92 2d9x n ASN 9 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2d9x s VAL 10 N 6.16 5.16 0.14 3.53 1.01 -1.26 -4.95 120.40 130.19 2d9x s VAL 10 Ca 1.06 0.98 -0.10 0.00 0.00 0.00 0.00 61.98 63.93 2d9x s VAL 10 Cb -0.91 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 31.63 2d9x s VAL 10 CO 0.53 0.29 0.27 -0.72 0.00 0.00 0.00 175.10 175.47 2d9x s TYR 11 N 0.84 0.27 0.00 5.22 -0.85 -1.26 -0.02 117.35 121.54 2d9x s TYR 11 Ca 0.26 -0.65 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 2d9x s TYR 11 Cb -0.15 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.16 2d9x s TYR 11 CO 0.11 -0.67 0.00 0.41 -1.52 0.00 0.00 175.55 173.88 2d9x n GLY 12 N -0.17 2.27 3.58 5.49 0.00 -0.99 -5.02 105.19 110.35 2d9x n GLY 12 Ca -0.10 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.66 2.03 0.40 1.61 1.51 -1.26 -2.90 117.35 117.08 2d9x s TYR 13 Ca 0.00 0.61 0.08 0.00 -1.01 0.00 0.00 57.07 56.75 2d9x s TYR 13 Cb 0.00 -4.24 -0.03 0.00 -0.11 0.00 0.00 41.96 37.58 2d9x s TYR 13 CO 0.00 -2.30 0.33 -0.51 -1.11 0.00 0.00 175.55 171.97 2d9x s LEU 14 N 6.93 3.38 -0.26 -1.29 1.43 -0.53 -4.53 118.68 123.80 2d9x s LEU 14 Ca 0.64 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2d9x s LEU 14 Cb -0.14 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2d9x s LEU 14 CO 0.27 -0.59 -0.01 -0.04 0.23 0.00 0.00 176.35 176.21 2d9x s MET 15 N -4.08 2.93 -0.10 1.70 -1.94 -1.20 -1.31 119.30 115.30 2d9x s MET 15 Ca 0.46 -0.93 -0.06 0.00 -1.71 0.00 0.00 55.69 53.45 2d9x s MET 15 Cb -0.03 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 2d9x s MET 15 CO 0.27 -0.41 0.12 0.21 -0.01 0.00 0.00 175.02 175.19 2d9x s LYS 16 N 1.39 3.36 -0.64 2.03 2.20 -0.98 -2.98 119.74 124.11 2d9x s LYS 16 Ca 0.01 -0.19 -0.26 0.00 -0.36 0.00 0.00 55.97 55.17 2d9x s LYS 16 Cb -0.17 -3.11 0.04 0.00 -1.51 0.00 0.00 37.83 33.08 2d9x s LYS 16 CO -0.02 0.76 1.12 -0.47 -0.36 0.00 0.00 175.35 176.37 2d9x s TYR 17 N -1.03 2.56 -0.06 4.03 6.14 -1.16 -0.93 117.35 126.89 2d9x s TYR 17 Ca 0.16 -0.04 -0.27 0.00 0.64 0.00 0.00 57.07 57.57 2d9x s TYR 17 Cb -0.12 -4.40 -0.22 0.00 0.42 0.00 0.00 41.96 37.64 2d9x s TYR 17 CO 0.05 -1.71 1.09 1.79 0.64 0.00 0.00 175.55 177.41 2d9x h THR 18 N 6.05 1.48 -3.02 4.34 1.35 -1.74 -3.48 112.91 117.88 2d9x h THR 18 Ca -0.27 -1.51 0.01 0.00 -0.55 0.00 0.00 66.41 64.08 2d9x h THR 18 Cb 1.06 2.50 -0.02 0.00 -1.73 0.00 0.00 68.15 69.96 2d9x h THR 18 CO 1.19 0.39 0.25 0.20 -0.25 0.00 0.00 175.52 177.30 2d9x s ASN 19 N -5.84 -0.07 0.00 5.36 0.01 -1.25 -4.98 114.94 108.18 2d9x s ASN 19 Ca -0.17 -0.98 -0.25 0.00 -0.71 0.00 0.00 52.86 50.76 2d9x s ASN 19 Cb 0.00 0.81 -0.16 0.00 0.41 0.00 0.00 41.25 42.31 2d9x s ASN 19 CO 0.67 -1.57 1.15 0.25 -1.51 0.00 0.00 177.10 176.08 2d9x h LEU 20 N 2.00 -0.47 -0.04 0.60 6.46 -1.94 0.57 115.31 122.49 2d9x h LEU 20 Ca -0.28 -0.11 0.04 0.00 -0.12 0.00 0.00 57.88 57.40 2d9x h LEU 20 Cb 1.25 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.25 2d9x h LEU 20 CO 0.35 -0.09 -0.28 1.62 -0.62 0.00 0.00 178.44 179.42 2d9x h VAL 21 N -0.91 0.37 0.52 1.05 3.04 -2.04 -3.12 116.25 115.16 2d9x h VAL 21 Ca -0.06 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.61 2d9x h VAL 21 Cb 0.56 0.37 0.01 0.00 -2.01 0.00 0.00 31.29 30.22 2d9x h VAL 21 CO 0.09 0.00 -0.25 0.74 -1.01 0.00 0.00 177.57 177.14 2d9x h THR 22 N -0.40 0.30 0.00 3.17 2.02 -1.97 -3.49 112.91 112.54 2d9x h THR 22 Ca 0.07 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2d9x h THR 22 Cb 0.50 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2d9x h THR 22 CO -0.27 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.28 2d9x n GLY 23 N -0.46 0.91 3.83 2.16 0.00 0.20 -4.93 105.19 106.90 2d9x n GLY 23 Ca -0.11 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 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 3.52 -0.12 1.61 0.52 -1.26 -1.88 118.94 121.33 2d9x s TRP 24 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 56.10 56.58 2d9x s TRP 24 Cb 0.00 -1.98 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 2d9x s TRP 24 CO 0.00 0.62 -0.11 -0.65 0.02 0.00 0.00 176.95 176.82 2d9x s GLN 25 N -0.71 1.90 0.52 4.98 -1.52 -0.10 -4.93 119.66 119.79 2d9x s GLN 25 Ca 0.13 -0.41 -0.23 0.00 -1.95 0.00 0.00 55.36 52.91 2d9x s GLN 25 Cb -0.12 -1.79 -0.06 0.00 -0.22 0.00 0.00 33.01 30.82 2d9x s GLN 25 CO 0.03 -0.21 1.34 0.66 -0.25 0.00 0.00 175.29 176.86 2d9x n TYR 26 N 4.71 2.28 -3.73 0.91 4.01 -1.26 -2.33 117.16 121.75 2d9x n TYR 26 Ca -0.16 0.44 -0.06 0.00 -0.16 0.00 0.00 57.90 57.96 2d9x n TYR 26 Cb 0.50 -2.37 -0.02 0.00 -0.31 0.00 0.00 39.34 37.14 2d9x n TYR 26 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2d9x s ARG 27 N -2.73 1.39 -0.13 -0.72 0.52 -0.43 -4.92 118.95 111.93 2d9x s ARG 27 Ca 0.69 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 55.13 2d9x s ARG 27 Cb -0.43 0.50 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 2d9x s ARG 27 CO 0.51 -0.63 0.03 0.12 0.02 0.00 0.00 175.30 175.35 2d9x s PHE 28 N -3.56 3.21 0.08 -0.53 5.36 -0.75 -1.46 117.98 120.33 2d9x s PHE 28 Ca 0.10 0.10 0.09 0.00 -0.96 0.00 0.00 56.93 56.26 2d9x s PHE 28 Cb -0.03 -1.92 -0.03 0.00 -0.34 0.00 0.00 43.02 40.69 2d9x s PHE 28 CO 0.01 0.31 -0.23 -0.06 -1.46 0.00 0.00 175.22 173.79 2d9x s PHE 29 N -0.28 2.01 -0.23 10.12 0.40 -1.14 -0.66 117.98 128.19 2d9x s PHE 29 Ca 0.07 -0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2d9x s PHE 29 Cb -0.12 -1.14 0.09 0.00 0.51 0.00 0.00 43.02 42.36 2d9x s PHE 29 CO 0.02 0.20 0.18 0.08 0.70 0.00 0.00 175.22 176.39 2d9x s VAL 30 N -0.99 -0.21 0.42 -0.44 1.01 -1.12 -2.35 120.40 116.72 2d9x s VAL 30 Ca 0.09 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2d9x s VAL 30 Cb -0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.42 2d9x s VAL 30 CO 0.04 -0.41 1.25 -0.22 0.00 0.00 0.00 175.10 175.76 2d9x s LEU 31 N 2.22 4.17 -0.31 3.92 2.96 0.96 -3.86 118.68 128.75 2d9x s LEU 31 Ca 0.07 2.54 -0.00 0.00 -0.22 0.00 0.00 54.13 56.51 2d9x s LEU 31 Cb -0.16 -3.99 0.07 0.00 0.50 0.00 0.00 46.19 42.61 2d9x s LEU 31 CO -0.21 -0.85 0.02 0.21 -1.32 0.00 0.00 176.35 174.19 2d9x s ASN 32 N -0.93 4.85 -0.09 3.68 3.84 -0.85 -4.31 114.94 121.13 2d9x s ASN 32 Ca 0.58 -1.52 -0.14 0.00 0.21 0.00 0.00 52.86 51.99 2d9x s ASN 32 Cb -0.35 -1.69 -0.11 0.00 -0.55 0.00 0.00 41.25 38.55 2d9x s ASN 32 CO 0.44 -0.30 0.48 -1.13 -2.79 0.00 0.00 177.10 173.79 2d9x h ASN 33 N 7.92 -0.09 -0.99 -4.21 -1.24 -1.95 1.45 115.58 116.47 2d9x h ASN 33 Ca -0.17 -0.34 0.32 0.00 0.71 0.00 0.00 56.30 56.82 2d9x h ASN 33 Cb 1.05 0.02 -0.15 0.00 0.73 0.00 0.00 38.32 39.97 2d9x h ASN 33 CO 0.54 0.54 0.51 1.05 -1.29 0.00 0.00 177.43 178.78 2d9x h GLU 34 N -0.98 0.25 0.00 6.67 4.11 -1.96 -2.94 114.58 119.73 2d9x h GLU 34 Ca -0.01 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.19 2d9x h GLU 34 Cb 0.43 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2d9x h GLU 34 CO 0.02 0.17 -1.59 0.00 0.07 0.00 0.00 179.01 177.68 2d9x n ALA 35 N -2.36 0.94 0.00 1.06 0.00 -1.25 -5.05 120.51 113.86 2d9x n ALA 35 Ca 0.31 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2d9x n ALA 35 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 1.39 1.67 3.54 0.00 0.00 0.49 -5.08 105.19 107.21 2d9x n GLY 36 Ca -0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 2.94 -0.32 0.99 1.43 -1.09 -3.59 118.68 119.04 2d9x s LEU 37 Ca 0.00 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 2d9x s LEU 37 Cb 0.00 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.51 2d9x s LEU 37 CO 0.00 0.23 0.13 -0.22 0.23 0.00 0.00 176.35 176.72 2d9x s LEU 38 N -1.73 4.12 0.46 1.79 2.96 -0.88 -2.00 118.68 123.41 2d9x s LEU 38 Ca 0.18 -0.73 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 2d9x s LEU 38 Cb -0.11 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 2d9x s LEU 38 CO 0.09 -0.24 0.14 -1.61 -1.32 0.00 0.00 176.35 173.42 2d9x s GLU 39 N 1.54 2.18 -0.29 1.98 2.02 -1.25 -0.69 118.70 124.19 2d9x s GLU 39 Ca 0.03 -2.07 -0.08 0.00 0.02 0.00 0.00 54.97 52.86 2d9x s GLU 39 Cb -0.18 -1.83 0.14 0.00 0.10 0.00 0.00 34.13 32.36 2d9x s GLU 39 CO 0.04 -0.26 0.62 1.52 0.02 0.00 0.00 175.26 177.21 2d9x s TYR 40 N -2.72 -1.35 0.12 1.61 1.13 -1.20 -2.81 117.35 112.13 2d9x s TYR 40 Ca 0.29 2.18 0.03 0.00 -1.41 0.00 0.00 57.07 58.16 2d9x s TYR 40 Cb 0.03 0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 41.59 2d9x s TYR 40 CO 0.16 -0.69 0.19 -0.06 -2.51 0.00 0.00 175.55 172.64 2d9x s PHE 41 N 2.87 3.35 0.31 -3.49 0.08 0.16 -3.18 117.98 118.09 2d9x s PHE 41 Ca -0.01 0.11 0.07 0.00 0.12 0.00 0.00 56.93 57.22 2d9x s PHE 41 Cb -0.12 -1.64 0.89 0.00 -0.57 0.00 0.00 43.02 41.57 2d9x s PHE 41 CO -0.19 0.54 1.64 0.28 -0.10 0.00 0.00 175.22 177.38 2d9x h VAL 42 N 2.04 0.24 -2.93 -0.44 2.07 -1.88 -2.00 116.25 113.35 2d9x h VAL 42 Ca -0.47 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 2d9x h VAL 42 Cb 1.18 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2d9x h VAL 42 CO 0.69 0.04 0.07 0.59 0.02 0.00 0.00 177.57 178.97 2d9x n ASN 43 N -5.21 -1.26 -0.17 0.57 5.03 -1.26 -3.96 115.26 109.00 2d9x n ASN 43 Ca 0.26 -2.13 -0.11 0.00 0.87 0.00 0.00 54.58 53.47 2d9x n ASN 43 Cb 0.84 2.17 0.00 0.00 -1.02 0.00 0.00 39.78 41.78 2d9x n ASN 43 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 2d9x h GLU 44 N 0.00 0.96 0.00 3.52 4.81 -1.95 -2.56 114.58 119.36 2d9x h GLU 44 Ca -0.20 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2d9x h GLU 44 Cb 0.80 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2d9x h GLU 44 CO 0.27 1.03 0.23 1.96 -0.73 0.00 0.00 179.01 181.77 2d9x h GLN 45 N 0.82 0.00 -2.12 1.92 1.08 -1.98 -2.43 115.11 112.40 2d9x h GLN 45 Ca 0.13 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.64 2d9x h GLN 45 Cb 0.67 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.88 2d9x h GLN 45 CO 0.05 0.00 1.02 0.43 -0.95 0.00 0.00 178.83 179.38 2d9x n SER 46 N -2.78 7.24 0.03 1.46 7.64 -0.96 -4.66 113.62 121.59 2d9x n SER 46 Ca -0.02 -3.53 -0.03 0.00 1.01 0.00 0.00 58.87 56.31 2d9x n SER 46 Cb 0.28 -1.17 -0.01 0.00 -1.01 0.00 0.00 64.21 62.29 2d9x n SER 46 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2d9x h ARG 47 N 3.40 -0.16 -0.26 1.43 2.47 -1.65 -3.37 114.38 116.25 2d9x h ARG 47 Ca 0.53 0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 59.11 2d9x h ARG 47 Cb 0.33 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 2d9x h ARG 47 CO 1.22 -0.11 -0.44 -0.91 0.56 0.00 0.00 179.97 180.29 2d9x h ASN 48 N -0.84 0.70 -2.69 7.04 2.35 -1.89 -3.46 115.58 116.79 2d9x h ASN 48 Ca -0.02 -0.33 -0.55 0.00 -0.55 0.00 0.00 56.30 54.85 2d9x h ASN 48 Cb 0.13 -0.20 0.21 0.00 0.05 0.00 0.00 38.32 38.52 2d9x h ASN 48 CO 0.03 1.04 -1.05 0.00 -1.65 0.00 0.00 177.43 175.80 2d9x n GLN 49 N -4.01 -0.00 -2.09 0.81 6.02 -1.26 -4.86 117.38 111.98 2d9x n GLN 49 Ca -0.02 0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 2d9x n GLN 49 Cb 0.55 -1.44 -0.02 0.00 1.02 0.00 0.00 30.24 30.34 2d9x n GLN 49 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2d9x s LYS 50 N -2.51 4.33 0.20 -1.09 2.47 -1.26 -4.97 119.74 116.91 2d9x s LYS 50 Ca 0.53 2.23 -0.30 0.00 -1.56 0.00 0.00 55.97 56.87 2d9x s LYS 50 Cb -0.27 -3.09 -0.09 0.00 -1.46 0.00 0.00 37.83 32.92 2d9x s LYS 50 CO 0.70 -0.26 1.30 -1.25 0.16 0.00 0.00 175.35 176.01 2d9x s PRO 51 N -1.29 4.39 0.31 4.03 0.04 -1.26 -4.93 135.00 136.29 2d9x s PRO 51 Ca 0.52 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.62 2d9x s PRO 51 Cb -0.40 -3.20 0.55 0.00 0.04 0.00 0.00 34.50 31.49 2d9x s PRO 51 CO 0.49 -0.24 1.91 0.00 0.04 0.00 0.00 177.00 179.20 2d9x h ARG 52 N 5.35 0.98 -1.70 4.56 2.47 -1.92 -3.45 114.38 120.67 2d9x h ARG 52 Ca -0.45 -0.06 0.04 0.00 -1.26 0.00 0.00 59.98 58.25 2d9x h ARG 52 Cb 1.21 -0.22 -0.22 0.00 -1.65 0.00 0.00 29.97 29.10 2d9x h ARG 52 CO 0.77 0.65 0.43 0.20 0.56 0.00 0.00 179.97 182.57 2d9x s GLY 53 N -3.42 -0.36 0.13 0.04 0.00 -1.26 -5.07 107.32 97.38 2d9x s GLY 53 Ca -0.11 1.85 0.07 0.00 0.00 0.00 0.00 44.72 46.52 2d9x s GLY 53 CO 0.80 1.06 -0.16 -0.51 0.00 0.00 0.00 173.10 174.28 2d9x s THR 54 N -1.04 1.52 -0.05 0.90 -4.23 -1.26 -3.23 115.64 108.25 2d9x s THR 54 Ca -0.04 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 2d9x s THR 54 Cb -0.01 -1.59 0.03 0.00 1.34 0.00 0.00 72.50 72.27 2d9x s THR 54 CO 0.04 -0.31 0.02 -0.22 -0.54 0.00 0.00 174.62 173.61 2d9x s LEU 55 N -2.37 0.60 0.29 4.79 2.96 0.14 -4.97 118.68 120.12 2d9x s LEU 55 Ca 0.10 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 2d9x s LEU 55 Cb -0.06 -0.27 -0.10 0.00 0.50 0.00 0.00 46.19 46.26 2d9x s LEU 55 CO 0.04 -0.19 1.35 -1.10 -1.32 0.00 0.00 176.35 175.14 2d9x s GLN 56 N 1.76 4.33 -0.23 1.98 -0.21 -1.26 -2.06 119.66 123.97 2d9x s GLN 56 Ca 0.01 2.23 0.08 0.00 0.02 0.00 0.00 55.36 57.70 2d9x s GLN 56 Cb -0.13 -3.09 -0.19 0.00 1.00 0.00 0.00 33.01 30.60 2d9x s GLN 56 CO -0.03 -0.27 -0.10 1.28 -2.12 0.00 0.00 175.29 174.04 2d9x n LEU 57 N 1.46 1.78 -4.50 2.90 4.77 -1.24 -4.72 117.00 117.46 2d9x n LEU 57 Ca 0.03 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 2d9x n LEU 57 Cb 0.41 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 2d9x n LEU 57 CO 0.60 0.74 2.06 0.00 -1.33 0.00 0.00 177.39 179.46 2d9x n ALA 58 N -3.02 0.63 -1.12 -1.18 0.00 -1.26 -0.25 120.51 114.30 2d9x n ALA 58 Ca -0.39 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2d9x n ALA 58 Cb 1.04 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 6.36 1.06 3.74 0.00 0.00 -1.24 -4.75 105.19 110.36 2d9x n GLY 59 Ca 0.50 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.33 3.60 -0.03 4.61 0.00 0.66 -2.43 121.76 125.83 2d9x s ALA 60 Ca 0.00 -2.09 0.05 0.00 0.00 0.00 0.00 51.96 49.91 2d9x s ALA 60 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2d9x s ALA 60 CO 0.00 -0.16 -0.17 0.08 0.00 0.00 0.00 175.76 175.51 2d9x s VAL 61 N -2.59 1.41 -0.20 0.00 1.01 -1.26 -4.93 120.40 113.84 2d9x s VAL 61 Ca 0.41 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2d9x s VAL 61 Cb 0.03 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 2d9x s VAL 61 CO 0.23 0.40 -0.09 -0.63 0.00 0.00 0.00 175.10 175.01 2d9x s ILE 62 N -0.12 2.99 -0.30 2.22 1.09 -1.26 -0.78 121.20 125.03 2d9x s ILE 62 Ca 0.00 -0.63 0.01 0.00 -1.10 0.00 0.00 60.65 58.93 2d9x s ILE 62 Cb -0.10 -2.33 0.09 0.00 -1.06 0.00 0.00 42.46 39.06 2d9x s ILE 62 CO 0.01 0.46 0.05 -0.55 -0.10 0.00 0.00 174.94 174.81 2d9x s SER 63 N 1.37 4.20 -0.09 3.58 0.15 -1.12 -5.02 113.70 116.77 2d9x s SER 63 Ca 0.05 -1.69 -0.30 0.00 0.70 0.00 0.00 55.95 54.71 2d9x s SER 63 Cb -0.14 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.96 2d9x s SER 63 CO -0.05 -0.36 1.52 -2.16 1.20 0.00 0.00 173.24 173.38 2d9x s PRO 64 N 1.35 4.20 0.79 5.44 0.04 -1.26 -2.87 135.00 142.68 2d9x s PRO 64 Ca 0.07 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2d9x s PRO 64 Cb -0.18 -3.91 0.07 0.00 0.04 0.00 0.00 34.50 30.52 2d9x s PRO 64 CO -0.15 -0.80 1.10 0.45 0.04 0.00 0.00 177.00 177.64 2d9x s SER 65 N 2.87 4.30 -0.28 6.66 0.15 -1.22 -4.95 113.70 121.22 2d9x s SER 65 Ca 0.67 1.90 0.08 0.00 0.70 0.00 0.00 55.95 59.30 2d9x s SER 65 Cb -0.29 -2.53 0.46 0.00 -1.71 0.00 0.00 66.02 61.94 2d9x s SER 65 CO 0.24 -2.18 1.33 -0.90 1.20 0.00 0.00 173.24 172.94 2d9x n ASP 66 N -3.54 3.20 -0.04 5.45 5.75 -1.26 -4.73 116.55 121.38 2d9x n ASP 66 Ca 0.10 -3.83 -0.03 0.00 -0.01 0.00 0.00 54.79 51.02 2d9x n ASP 66 Cb 0.53 -0.53 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2d9x h GLU 67 N 1.41 0.00 -6.34 0.11 5.08 -1.95 -3.49 114.58 109.40 2d9x h GLU 67 Ca 0.21 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.97 2d9x h GLU 67 Cb 1.34 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.47 2d9x h GLU 67 CO 0.43 0.00 -0.67 -0.51 -1.00 0.00 0.00 179.01 177.26 2d9x s ASP 68 N -4.94 4.64 0.25 1.42 1.11 -1.26 -5.02 116.67 112.87 2d9x s ASP 68 Ca -0.09 -0.46 -0.11 0.00 0.18 0.00 0.00 52.55 52.06 2d9x s ASP 68 Cb 0.01 -0.94 0.36 0.00 1.07 0.00 0.00 42.92 43.43 2d9x s ASP 68 CO 0.13 0.08 1.58 0.28 1.18 0.00 0.00 175.17 178.42 2d9x h SER 69 N 2.63 -0.91 -3.58 0.27 0.02 -1.95 -3.29 113.55 106.74 2d9x h SER 69 Ca -0.47 0.27 -0.70 0.00 -0.84 0.00 0.00 61.79 60.05 2d9x h SER 69 Cb 1.21 0.58 -0.30 0.00 0.14 0.00 0.00 62.40 64.03 2d9x h SER 69 CO 0.57 -0.29 -0.56 -1.00 -1.14 0.00 0.00 176.83 174.41 2d9x s HIS 70 N -6.21 3.34 -0.22 3.45 3.76 -1.26 -4.76 115.29 113.40 2d9x s HIS 70 Ca -0.15 -1.68 -0.27 0.00 -0.15 0.00 0.00 55.06 52.81 2d9x s HIS 70 Cb 0.24 -2.64 0.10 0.00 1.11 0.00 0.00 32.58 31.39 2d9x s HIS 70 CO 0.76 -0.82 0.88 0.99 -0.85 0.00 0.00 174.74 175.70 2d9x s THR 71 N 1.35 0.00 -0.13 1.30 2.01 -1.24 -4.40 115.64 114.52 2d9x s THR 71 Ca 0.01 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 2d9x s THR 71 Cb -0.21 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.42 2d9x s THR 71 CO 0.01 0.00 1.00 0.72 -0.69 0.00 0.00 174.62 175.66 2d9x s PHE 72 N -0.18 -0.33 0.08 4.92 -0.71 -1.19 -3.44 117.98 117.12 2d9x s PHE 72 Ca -0.01 0.46 0.08 0.00 -1.04 0.00 0.00 56.93 56.43 2d9x s PHE 72 Cb -0.03 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 2d9x s PHE 72 CO -0.00 -0.37 -0.22 0.95 -1.34 0.00 0.00 175.22 174.23 2d9x s THR 73 N -1.72 1.83 -0.31 -4.49 -4.23 -1.14 -2.80 115.64 102.77 2d9x s THR 73 Ca 0.01 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 2d9x s THR 73 Cb -0.01 -1.61 0.09 0.00 1.34 0.00 0.00 72.50 72.31 2d9x s THR 73 CO -0.02 0.12 0.01 -0.69 -0.54 0.00 0.00 174.62 173.51 2d9x s VAL 74 N -0.96 2.08 0.99 2.29 1.01 -0.74 -2.81 120.40 122.28 2d9x s VAL 74 Ca 0.09 -2.04 -0.17 0.00 0.00 0.00 0.00 61.98 59.86 2d9x s VAL 74 Cb -0.10 -2.45 0.23 0.00 0.00 0.00 0.00 36.38 34.07 2d9x s VAL 74 CO 0.03 -0.45 1.21 0.59 0.00 0.00 0.00 175.10 176.48 2d9x n ASN 75 N 4.37 -0.46 -3.79 3.32 3.02 0.04 -1.27 115.26 120.48 2d9x n ASN 75 Ca -0.01 -1.37 -0.13 0.00 -0.03 0.00 0.00 54.58 53.04 2d9x n ASN 75 Cb 0.42 -0.97 -0.11 0.00 -0.61 0.00 0.00 39.78 38.52 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 -3.73 -0.63 0.25 5.41 0.00 -0.63 -4.07 121.76 118.36 2d9x s ALA 76 Ca 0.71 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 2d9x s ALA 76 Cb -0.03 -0.31 0.41 0.00 0.00 0.00 0.00 23.12 23.19 2d9x s ALA 76 CO 0.51 -0.15 1.62 0.00 0.00 0.00 0.00 175.76 177.73 2d9x h ALA 77 N 5.34 0.69 0.33 0.00 0.00 -1.76 -1.00 119.26 122.85 2d9x h ALA 77 Ca -0.27 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d9x h ALA 77 Cb 1.19 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2d9x h ALA 77 CO 0.36 -0.43 -0.29 0.77 0.00 0.00 0.00 179.25 179.66 2d9x h SER 78 N 0.05 -0.77 0.00 0.00 0.02 -1.96 -3.47 113.55 107.43 2d9x h SER 78 Ca 0.41 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2d9x h SER 78 Cb 0.69 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2d9x h SER 78 CO -0.74 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 175.14 2d9x n GLY 79 N -1.41 -0.31 3.15 -3.77 0.00 -0.38 -5.17 105.19 97.30 2d9x n GLY 79 Ca -0.09 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 0.27 -0.02 1.61 2.12 -1.25 -4.95 118.70 116.48 2d9x s GLU 80 Ca 0.00 0.75 -0.01 0.00 0.36 0.00 0.00 54.97 56.07 2d9x s GLU 80 Cb 0.00 0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.36 2d9x s GLU 80 CO 0.00 -0.20 0.07 -1.14 -0.54 0.00 0.00 175.26 173.45 2d9x s GLN 81 N 1.77 3.07 -0.16 4.30 0.74 -1.26 -1.61 119.66 126.51 2d9x s GLN 81 Ca -0.06 -0.46 -0.00 0.00 0.05 0.00 0.00 55.36 54.89 2d9x s GLN 81 Cb -0.10 -2.86 -0.00 0.00 1.10 0.00 0.00 33.01 31.14 2d9x s GLN 81 CO -0.11 0.66 -0.15 0.71 -0.55 0.00 0.00 175.29 175.86 2d9x s TYR 82 N -1.13 2.80 -0.69 1.67 1.51 -0.40 -4.91 117.35 116.19 2d9x s TYR 82 Ca 0.21 -1.08 -0.17 0.00 -1.01 0.00 0.00 57.07 55.01 2d9x s TYR 82 Cb -0.12 -1.91 0.14 0.00 -0.11 0.00 0.00 41.96 39.96 2d9x s TYR 82 CO 0.11 -0.51 0.76 0.21 -1.11 0.00 0.00 175.55 175.01 2d9x s LYS 83 N 0.92 3.25 0.34 -0.62 2.20 -1.26 -1.79 119.74 122.78 2d9x s LYS 83 Ca -0.03 -1.69 0.09 0.00 -0.36 0.00 0.00 55.97 53.98 2d9x s LYS 83 Cb -0.15 -4.41 -0.05 0.00 -1.51 0.00 0.00 37.83 31.71 2d9x s LYS 83 CO -0.02 -1.50 0.04 -0.51 -0.36 0.00 0.00 175.35 173.01 2d9x s LEU 84 N 2.00 3.03 -0.13 5.43 1.43 -1.12 -3.01 118.68 126.32 2d9x s LEU 84 Ca 0.15 -0.97 -0.04 0.00 -1.03 0.00 0.00 54.13 52.25 2d9x s LEU 84 Cb -0.19 -1.41 0.06 0.00 0.03 0.00 0.00 46.19 44.68 2d9x s LEU 84 CO 0.00 -0.27 0.13 -0.60 0.23 0.00 0.00 176.35 175.84 2d9x s ARG 85 N -3.75 0.05 1.27 1.70 3.52 -1.16 -3.14 118.95 117.44 2d9x s ARG 85 Ca 0.36 0.24 -0.20 0.00 -0.13 0.00 0.00 55.73 56.00 2d9x s ARG 85 Cb -0.00 -1.03 0.31 0.00 -1.56 0.00 0.00 34.95 32.66 2d9x s ARG 85 CO 0.20 -0.50 0.69 0.00 -0.81 0.00 0.00 175.30 174.88 2d9x n ALA 86 N 5.30 -4.20 -0.05 6.12 0.00 -1.26 -3.23 120.51 123.19 2d9x n ALA 86 Ca -0.05 -1.22 -0.11 0.00 0.00 0.00 0.00 53.44 52.06 2d9x n ALA 86 Cb 0.50 -0.11 -0.15 0.00 0.00 0.00 0.00 19.45 19.69 2d9x n ALA 86 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2d9x n THR 87 N -5.27 1.55 -3.81 0.00 5.66 -1.26 -4.87 114.28 106.28 2d9x n THR 87 Ca 0.11 -0.79 -0.11 0.00 -3.05 0.00 0.00 64.05 60.21 2d9x n THR 87 Cb 0.48 -0.96 -0.08 0.00 -1.55 0.00 0.00 70.33 68.22 2d9x n THR 87 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2d9x s ASP 88 N -6.04 -0.03 0.61 1.09 1.11 -1.26 -5.00 116.67 107.15 2d9x s ASP 88 Ca -0.10 -0.27 0.27 0.00 0.18 0.00 0.00 52.55 52.63 2d9x s ASP 88 Cb 0.07 0.31 1.36 0.00 1.07 0.00 0.00 42.92 45.73 2d9x s ASP 88 CO 0.81 -0.56 1.77 0.00 1.18 0.00 0.00 175.17 178.37 2d9x h ALA 89 N 3.46 2.13 0.09 5.23 0.00 -1.94 0.59 119.26 128.82 2d9x h ALA 89 Ca -0.32 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.31 2d9x h ALA 89 Cb 1.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2d9x h ALA 89 CO 0.46 -0.81 -1.27 0.87 0.00 0.00 0.00 179.25 178.51 2d9x h LYS 90 N 0.00 0.20 0.00 0.00 1.57 -1.95 -3.27 116.57 113.12 2d9x h LYS 90 Ca 0.21 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2d9x h LYS 90 Cb 1.38 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 2d9x h LYS 90 CO -0.00 1.12 -0.07 1.49 -0.57 0.00 0.00 179.45 181.42 2d9x h GLU 91 N 0.05 0.00 0.68 3.15 4.57 -0.28 -3.29 114.58 119.48 2d9x h GLU 91 Ca -0.14 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.01 2d9x h GLU 91 Cb 1.94 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.54 2d9x h GLU 91 CO 0.17 0.07 -0.33 -0.09 -1.18 0.00 0.00 179.01 177.66 2d9x h ARG 92 N 0.00 -0.89 -0.95 1.92 1.12 -1.21 -2.71 114.38 111.67 2d9x h ARG 92 Ca -0.00 0.06 0.20 0.00 -1.11 0.00 0.00 59.98 59.13 2d9x h ARG 92 Cb 0.95 0.20 -0.08 0.00 -0.01 0.00 0.00 29.97 31.03 2d9x h ARG 92 CO 0.01 -0.59 0.61 -0.56 -3.11 0.00 0.00 179.97 176.33 2d9x h GLN 93 N -1.03 0.51 0.41 0.20 3.07 -1.68 -2.23 115.11 114.36 2d9x h GLN 93 Ca -0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.60 2d9x h GLN 93 Cb 0.70 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 28.13 2d9x h GLN 93 CO 0.15 0.34 -0.40 1.25 0.09 0.00 0.00 178.83 180.27 2d9x h HIS 94 N 0.53 -1.09 0.16 0.06 2.76 -1.59 0.57 115.15 116.54 2d9x h HIS 94 Ca 0.51 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.69 2d9x h HIS 94 Cb 1.10 0.42 -0.04 0.00 1.55 0.00 0.00 27.41 30.44 2d9x h HIS 94 CO -0.00 -0.53 -0.45 -1.49 -1.30 0.00 0.00 177.93 174.16 2d9x h TRP 95 N -0.80 -1.30 -0.74 5.26 4.06 -1.09 0.58 115.95 121.92 2d9x h TRP 95 Ca -0.05 0.03 0.14 0.00 2.06 0.00 0.00 58.89 61.07 2d9x h TRP 95 Cb 0.69 0.55 -0.14 0.00 -1.00 0.00 0.00 29.16 29.26 2d9x h TRP 95 CO -0.20 -0.52 -0.22 0.28 -3.56 0.00 0.00 178.44 174.22 2d9x h VAL 96 N -0.68 0.23 0.00 1.49 2.07 -1.43 0.17 116.25 118.10 2d9x h VAL 96 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2d9x h VAL 96 Cb 0.67 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2d9x h VAL 96 CO -0.22 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.13 2d9x n SER 97 N -5.49 0.00 -0.30 0.57 2.88 0.19 -1.06 113.62 110.41 2d9x n SER 97 Ca 0.09 0.80 0.01 0.00 -1.33 0.00 0.00 58.87 58.45 2d9x n SER 97 Cb 0.38 -0.47 0.06 0.00 -0.75 0.00 0.00 64.21 63.43 2d9x n SER 97 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2d9x n ARG 98 N -1.90 -0.15 0.12 -1.46 5.12 0.20 0.51 116.66 119.10 2d9x n ARG 98 Ca 0.00 1.22 -0.14 0.00 -1.93 0.00 0.00 57.85 57.00 2d9x n ARG 98 Cb 0.00 -1.81 -0.08 0.00 -1.16 0.00 0.00 32.46 29.41 2d9x n ARG 98 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2d9x h LEU 99 N 0.00 -0.20 -1.87 0.55 3.38 -0.74 -1.57 115.31 114.86 2d9x h LEU 99 Ca 0.31 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.37 2d9x h LEU 99 Cb 0.51 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2d9x h LEU 99 CO -0.79 -0.10 0.51 1.56 0.09 0.00 0.00 178.44 179.70 2d9x h GLN 100 N -0.29 0.00 0.08 1.13 4.20 0.17 0.14 115.11 120.54 2d9x h GLN 100 Ca -0.02 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 2d9x h GLN 100 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2d9x h GLN 100 CO 0.04 0.00 -0.77 0.82 -0.67 0.00 0.00 178.83 178.25 2d9x h ILE 101 N 0.00 1.41 -0.04 2.54 2.04 -0.25 -3.27 117.51 119.94 2d9x h ILE 101 Ca 0.20 -2.41 -0.00 0.00 1.00 0.00 0.00 64.86 63.64 2d9x h ILE 101 Cb 1.21 3.03 -0.00 0.00 -0.74 0.00 0.00 36.82 40.32 2d9x h ILE 101 CO -0.00 0.64 0.01 0.00 0.00 0.00 0.00 178.15 178.80 2d9x h THR 103 N -0.11 0.47 0.08 0.00 1.03 -0.98 0.14 112.91 113.53 2d9x h THR 103 Ca 0.01 -0.08 -0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2d9x h THR 103 Cb 0.20 0.21 0.00 0.00 -1.07 0.00 0.00 68.15 67.49 2d9x h THR 103 CO -0.00 0.04 -0.04 -0.61 -0.01 0.00 0.00 175.52 174.91 2d9x h GLN 104 N 0.24 -0.10 -0.95 0.00 4.15 -1.58 -0.90 115.11 115.97 2d9x h GLN 104 Ca 0.43 0.01 0.28 0.00 0.77 0.00 0.00 58.65 60.13 2d9x h GLN 104 Cb 0.75 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.42 2d9x h GLN 104 CO -0.54 0.42 0.82 1.25 -1.93 0.00 0.00 178.83 178.85 2d9x h HIS 105 N -0.92 0.00 0.00 3.99 2.76 -0.11 -0.19 115.15 120.68 2d9x h HIS 105 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2d9x h HIS 105 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2d9x h HIS 105 CO 0.13 0.00 -0.21 0.72 -1.30 0.00 0.00 177.93 177.27 2d9x n HIS 106 N -3.84 0.35 -0.54 5.26 8.25 0.45 -4.21 115.22 120.93 2d9x n HIS 106 Ca 0.20 0.15 0.44 0.00 -0.26 0.00 0.00 57.72 58.25 2d9x n HIS 106 Cb 1.14 -0.44 0.72 0.00 1.12 0.00 0.00 29.99 32.53 2d9x n HIS 106 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2d9x n THR 107 N -3.17 -0.17 -0.08 1.59 5.66 -0.35 0.10 114.28 117.86 2d9x n THR 107 Ca -0.03 1.69 -0.07 0.00 -3.05 0.00 0.00 64.05 62.58 2d9x n THR 107 Cb 0.11 -2.78 -0.00 0.00 -1.55 0.00 0.00 70.33 66.11 2d9x n THR 107 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2d9x h GLU 108 N 0.00 0.19 -0.97 1.09 4.81 -1.22 -2.07 114.58 116.41 2d9x h GLU 108 Ca 0.89 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 60.25 2d9x h GLU 108 Cb 3.10 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 32.35 2d9x h GLU 108 CO -0.32 0.13 0.59 0.00 -0.73 0.00 0.00 179.01 178.68 2d9x h ALA 109 N 1.20 1.50 -1.90 2.92 0.00 0.49 -3.42 119.26 120.05 2d9x h ALA 109 Ca 0.13 0.04 -0.62 0.00 0.00 0.00 0.00 54.91 54.46 2d9x h ALA 109 Cb 0.12 -0.15 0.09 0.00 0.00 0.00 0.00 17.79 17.86 2d9x h ALA 109 CO -0.16 0.11 0.23 -0.89 0.00 0.00 0.00 179.25 178.55 2d9x n ILE 110 N -4.69 1.40 -2.95 0.00 2.08 -0.78 -4.94 119.36 109.48 2d9x n ILE 110 Ca 0.19 -0.35 -0.14 0.00 0.56 0.00 0.00 62.75 63.02 2d9x n ILE 110 Cb 0.41 -0.96 0.02 0.00 -0.75 0.00 0.00 39.64 38.36 2d9x n ILE 110 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2d9x n GLY 111 N 1.68 1.84 3.17 7.39 0.00 -1.26 -5.04 105.19 112.97 2d9x n GLY 111 Ca 0.12 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 2d9x n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9x s LYS 112 N -0.79 2.42 -0.34 1.61 1.02 -1.26 -5.10 119.74 117.30 2d9x s LYS 112 Ca 0.31 -0.73 -0.27 0.00 0.02 0.00 0.00 55.97 55.31 2d9x s LYS 112 Cb 0.29 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.68 2d9x s LYS 112 CO -0.09 0.19 0.96 1.21 -0.92 0.00 0.00 175.35 176.70 2d9x s ASN 113 N 0.27 6.76 0.02 2.83 2.47 -1.26 -5.03 114.94 121.00 2d9x s ASN 113 Ca -0.12 0.76 -0.01 0.00 0.42 0.00 0.00 52.86 53.90 2d9x s ASN 113 Cb -0.16 -2.48 -0.04 0.00 -1.45 0.00 0.00 41.25 37.12 2d9x s ASN 113 CO 0.06 -0.83 0.19 0.20 -3.72 0.00 0.00 177.10 173.00 2d9x s ASN 114 N 1.76 6.33 0.33 -4.21 -0.87 -1.26 -5.11 114.94 111.91 2d9x s ASN 114 Ca 0.40 0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.99 2d9x s ASN 114 Cb -0.12 -1.96 -0.03 0.00 -0.02 0.00 0.00 41.25 39.11 2d9x s ASN 114 CO 0.17 0.22 0.53 -0.44 -2.57 0.00 0.00 177.10 175.00 2d9x s SER 115 N -2.19 6.31 0.58 -1.22 0.01 -1.26 -5.10 113.70 110.82 2d9x s SER 115 Ca 0.31 0.44 -0.05 0.00 1.31 0.00 0.00 55.95 57.95 2d9x s SER 115 Cb -0.13 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.08 2d9x s SER 115 CO 0.23 -0.26 0.88 -0.83 0.41 0.00 0.00 173.24 173.67 2d9x s GLY 116 N -3.92 1.61 -0.88 3.44 0.00 -1.26 -4.97 107.32 101.34 2d9x s GLY 116 Ca 0.40 -0.74 -0.25 0.00 0.00 0.00 0.00 44.72 44.13 2d9x s GLY 116 CO 0.35 -0.47 1.94 2.56 0.00 0.00 0.00 173.10 177.48 2d9x s PRO 117 N -4.95 2.56 0.07 2.90 0.04 -1.26 -4.92 135.00 129.45 2d9x s PRO 117 Ca 0.53 -0.21 0.02 0.00 0.04 0.00 0.00 61.00 61.38 2d9x s PRO 117 Cb -0.10 -5.01 -0.03 0.00 0.04 0.00 0.00 34.50 29.40 2d9x s PRO 117 CO 0.44 -3.32 -0.08 -1.54 0.04 0.00 0.00 177.00 172.54 2d9x s SER 118 N 8.03 1.09 -0.23 6.66 1.04 -1.26 -5.08 113.70 123.95 2d9x s SER 118 Ca 0.70 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 56.23 2d9x s SER 118 Cb -0.07 0.05 -0.12 0.00 0.10 0.00 0.00 66.02 65.98 2d9x s SER 118 CO 0.01 -0.29 -0.21 -0.24 0.98 0.00 0.00 173.24 173.49 2d9x n SER 119 N 0.83 1.92 0.00 7.02 2.88 -1.26 -5.24 113.62 119.76 2d9x n SER 119 Ca -0.18 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2d9x n SER 119 Cb 0.57 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 2d9x n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42