#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9x n SER 2 N 0.00 2.16 -3.56 1.61 3.41 -1.26 -4.91 113.62 111.08 2d9x n SER 2 Ca 0.00 1.09 -0.07 0.00 -0.26 0.00 0.00 58.87 59.64 2d9x n SER 2 Cb 0.00 -1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 62.82 2d9x n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d9x s SER 3 N 3.30 -0.26 -0.43 4.04 1.04 -1.26 -5.11 113.70 115.03 2d9x s SER 3 Ca 0.99 0.06 0.05 0.00 0.48 0.00 0.00 55.95 57.52 2d9x s SER 3 Cb -1.13 0.26 0.29 0.00 0.10 0.00 0.00 66.02 65.54 2d9x s SER 3 CO 0.67 -0.40 1.11 0.61 0.98 0.00 0.00 173.24 176.22 2d9x n GLY 4 N -0.02 -0.26 3.32 7.32 0.00 -1.26 -5.13 105.19 109.18 2d9x n GLY 4 Ca -0.05 0.34 -0.58 0.00 0.00 0.00 0.00 46.02 45.73 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 0.93 0.43 -4.70 1.61 3.41 -1.26 -4.78 113.62 109.27 2d9x n SER 5 Ca 0.04 1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 59.31 2d9x n SER 5 Cb 0.69 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 2d9x n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d9x s SER 6 N 1.09 6.54 0.08 4.04 0.01 -1.26 -4.99 113.70 119.22 2d9x s SER 6 Ca 0.89 2.60 0.01 0.00 1.31 0.00 0.00 55.95 60.76 2d9x s SER 6 Cb -1.26 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 62.40 2d9x s SER 6 CO 0.62 -0.91 0.03 0.61 0.41 0.00 0.00 173.24 174.00 2d9x n GLY 7 N 4.00 3.93 3.51 3.44 0.00 -1.26 -5.17 105.19 113.64 2d9x n GLY 7 Ca 0.16 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.32 1.86 0.41 1.61 8.01 -1.26 -5.09 118.70 121.92 2d9x s GLU 8 Ca 0.04 -1.23 -0.25 0.00 0.01 0.00 0.00 54.97 53.54 2d9x s GLU 8 Cb 0.00 -2.11 -0.08 0.00 -4.31 0.00 0.00 34.13 27.63 2d9x s GLU 8 CO 0.03 0.46 1.16 -0.80 0.01 0.00 0.00 175.26 176.12 2d9x s ASN 9 N -2.40 6.49 -0.19 -0.19 0.01 -1.26 -4.91 114.94 112.48 2d9x s ASN 9 Ca 0.20 2.32 -0.03 0.00 -0.71 0.00 0.00 52.86 54.65 2d9x s ASN 9 Cb -0.10 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 38.94 2d9x s ASN 9 CO 0.12 -0.70 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.27 2d9x s VAL 10 N -1.44 3.47 0.22 1.60 1.01 -1.26 -5.00 120.40 119.00 2d9x s VAL 10 Ca 0.58 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2d9x s VAL 10 Cb -0.30 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2d9x s VAL 10 CO 0.37 0.45 0.07 -0.72 0.00 0.00 0.00 175.10 175.27 2d9x s TYR 11 N 1.09 1.38 0.00 5.22 -0.85 -1.26 0.03 117.35 122.96 2d9x s TYR 11 Ca 0.01 -1.15 0.00 0.00 -0.52 0.00 0.00 57.07 55.41 2d9x s TYR 11 Cb -0.15 -0.79 0.00 0.00 0.38 0.00 0.00 41.96 41.40 2d9x s TYR 11 CO -0.00 -0.33 0.00 0.41 -1.52 0.00 0.00 175.55 174.11 2d9x n GLY 12 N -0.37 2.80 3.59 5.49 0.00 -0.59 -5.01 105.19 111.10 2d9x n GLY 12 Ca -0.02 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.48 2.50 0.41 1.61 1.51 -1.26 -2.34 117.35 118.30 2d9x s TYR 13 Ca 0.00 0.56 0.07 0.00 -1.01 0.00 0.00 57.07 56.69 2d9x s TYR 13 Cb 0.00 -4.42 -0.04 0.00 -0.11 0.00 0.00 41.96 37.39 2d9x s TYR 13 CO 0.00 -1.74 0.26 -0.51 -1.11 0.00 0.00 175.55 172.45 2d9x s LEU 14 N 5.32 3.23 -0.24 -1.29 1.43 -0.16 -4.60 118.68 122.37 2d9x s LEU 14 Ca 0.51 -0.94 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2d9x s LEU 14 Cb -0.10 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2d9x s LEU 14 CO 0.28 -0.58 0.06 -0.04 0.23 0.00 0.00 176.35 176.30 2d9x s MET 15 N -3.99 3.65 0.08 1.70 -1.94 -1.21 -1.40 119.30 116.18 2d9x s MET 15 Ca 0.44 -0.48 -0.00 0.00 -1.71 0.00 0.00 55.69 53.93 2d9x s MET 15 Cb 0.01 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 2d9x s MET 15 CO 0.25 -0.17 0.24 0.21 -0.01 0.00 0.00 175.02 175.53 2d9x s LYS 16 N 1.56 3.46 -0.22 2.03 2.20 -1.11 -2.74 119.74 124.92 2d9x s LYS 16 Ca 0.06 -0.42 -0.12 0.00 -0.36 0.00 0.00 55.97 55.13 2d9x s LYS 16 Cb -0.15 -3.01 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 2d9x s LYS 16 CO 0.03 0.58 0.21 -0.47 -0.36 0.00 0.00 175.35 175.34 2d9x s TYR 17 N -1.56 3.36 -0.07 4.03 6.14 -1.15 -1.36 117.35 126.75 2d9x s TYR 17 Ca 0.36 0.35 -0.08 0.00 0.64 0.00 0.00 57.07 58.34 2d9x s TYR 17 Cb -0.13 -2.30 -0.03 0.00 0.42 0.00 0.00 41.96 39.93 2d9x s TYR 17 CO 0.28 0.12 -0.15 0.25 0.64 0.00 0.00 175.55 176.69 2d9x n THR 18 N 4.05 0.81 -4.12 4.34 -2.24 -1.22 -4.92 114.28 110.98 2d9x n THR 18 Ca -0.14 0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.77 2d9x n THR 18 Cb 0.52 -1.83 -0.05 0.00 -2.10 0.00 0.00 70.33 66.87 2d9x n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2d9x n ASN 19 N -3.48 -1.13 0.00 3.42 5.15 -1.26 -5.02 115.26 112.94 2d9x n ASN 19 Ca -0.06 -2.95 0.00 0.00 -0.60 0.00 0.00 54.58 50.97 2d9x n ASN 19 Cb 0.23 2.22 0.00 0.00 -0.53 0.00 0.00 39.78 41.70 2d9x n ASN 19 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2d9x n LEU 20 N 0.00 0.43 -0.33 1.20 4.32 -1.26 0.38 117.00 121.74 2d9x n LEU 20 Ca 0.03 0.60 0.09 0.00 -0.02 0.00 0.00 56.01 56.72 2d9x n LEU 20 Cb 0.58 -0.24 0.21 0.00 -1.62 0.00 0.00 43.42 42.34 2d9x n LEU 20 CO 0.29 -0.24 0.76 1.62 -1.22 0.00 0.00 177.39 178.59 2d9x h VAL 21 N 0.00 0.08 -0.11 4.08 3.04 -2.04 1.08 116.25 122.38 2d9x h VAL 21 Ca 0.00 -0.01 -0.10 0.00 -1.01 0.00 0.00 66.70 65.58 2d9x h VAL 21 Cb 0.00 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.33 2d9x h VAL 21 CO 0.00 0.00 -0.38 0.74 -1.01 0.00 0.00 177.57 176.93 2d9x h THR 22 N 0.02 1.30 0.00 3.17 2.02 -1.98 -3.47 112.91 113.97 2d9x h THR 22 Ca 0.51 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2d9x h THR 22 Cb 0.94 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2d9x h THR 22 CO -0.90 0.43 0.00 0.61 0.37 0.00 0.00 175.52 176.03 2d9x n GLY 23 N -0.26 1.16 3.41 2.16 0.00 0.37 -4.71 105.19 107.32 2d9x n GLY 23 Ca -0.01 0.30 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 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 1.97 -0.16 1.61 0.52 -1.26 -3.42 118.94 118.20 2d9x s TRP 24 Ca 0.00 -0.56 -0.04 0.00 0.02 0.00 0.00 56.10 55.52 2d9x s TRP 24 Cb 0.00 -0.99 0.08 0.00 -1.15 0.00 0.00 33.47 31.41 2d9x s TRP 24 CO 0.00 0.43 0.26 -0.65 0.02 0.00 0.00 176.95 177.01 2d9x s GLN 25 N -3.64 0.18 0.29 4.98 -0.21 -0.46 -4.94 119.66 115.85 2d9x s GLN 25 Ca 0.27 0.56 -0.28 0.00 0.02 0.00 0.00 55.36 55.93 2d9x s GLN 25 Cb 0.00 -0.43 -0.14 0.00 1.00 0.00 0.00 33.01 33.44 2d9x s GLN 25 CO 0.11 -0.43 1.07 0.98 -2.12 0.00 0.00 175.29 174.90 2d9x n TYR 26 N 5.34 1.47 -3.53 0.91 9.36 -1.26 -2.73 117.16 126.72 2d9x n TYR 26 Ca -0.06 0.67 -0.18 0.00 3.32 0.00 0.00 57.90 61.66 2d9x n TYR 26 Cb 0.50 -2.28 -0.06 0.00 -0.63 0.00 0.00 39.34 36.86 2d9x n TYR 26 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2d9x s ARG 27 N -1.56 1.04 0.02 2.98 6.06 -0.49 -4.89 118.95 122.10 2d9x s ARG 27 Ca 0.59 0.33 -0.13 0.00 -2.50 0.00 0.00 55.73 54.01 2d9x s ARG 27 Cb -0.68 0.49 -0.06 0.00 0.06 0.00 0.00 34.95 34.76 2d9x s ARG 27 CO 0.60 -0.31 0.40 0.12 -2.50 0.00 0.00 175.30 173.61 2d9x s PHE 28 N -1.04 3.68 0.04 5.12 5.36 -0.25 -0.99 117.98 129.91 2d9x s PHE 28 Ca -0.10 0.92 0.05 0.00 -0.96 0.00 0.00 56.93 56.85 2d9x s PHE 28 Cb -0.00 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 2d9x s PHE 28 CO 0.09 0.61 -0.15 -0.06 -1.46 0.00 0.00 175.22 174.25 2d9x s PHE 29 N -1.17 1.33 -0.21 10.12 0.40 -0.99 -0.22 117.98 127.24 2d9x s PHE 29 Ca 0.26 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 56.18 2d9x s PHE 29 Cb -0.16 -0.78 0.07 0.00 0.51 0.00 0.00 43.02 42.66 2d9x s PHE 29 CO 0.14 0.05 0.11 0.08 0.70 0.00 0.00 175.22 176.30 2d9x s VAL 30 N -0.86 -0.09 0.64 -0.44 1.01 -0.95 -1.55 120.40 118.15 2d9x s VAL 30 Ca 0.02 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 2d9x s VAL 30 Cb -0.08 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2d9x s VAL 30 CO 0.01 -0.41 1.12 -0.22 0.00 0.00 0.00 175.10 175.60 2d9x s LEU 31 N 2.14 3.47 -0.24 3.92 2.96 0.10 -3.67 118.68 127.35 2d9x s LEU 31 Ca 0.04 2.05 0.02 0.00 -0.22 0.00 0.00 54.13 56.02 2d9x s LEU 31 Cb -0.16 -4.56 0.06 0.00 0.50 0.00 0.00 46.19 42.03 2d9x s LEU 31 CO -0.18 -1.56 -0.08 0.20 -1.32 0.00 0.00 176.35 173.41 2d9x s ASN 32 N -2.38 4.07 0.07 3.68 0.01 -1.12 -4.20 114.94 115.07 2d9x s ASN 32 Ca 0.69 -1.25 -0.02 0.00 -0.71 0.00 0.00 52.86 51.56 2d9x s ASN 32 Cb -0.22 -1.34 -0.27 0.00 0.41 0.00 0.00 41.25 39.84 2d9x s ASN 32 CO 0.38 -0.21 1.10 -0.55 -1.51 0.00 0.00 177.10 176.31 2d9x h ASN 33 N 7.88 0.35 0.32 -1.22 7.08 -1.91 0.18 115.58 128.25 2d9x h ASN 33 Ca -0.19 -0.39 -0.02 0.00 -3.08 0.00 0.00 56.30 52.62 2d9x h ASN 33 Cb 1.06 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 37.19 2d9x h ASN 33 CO 0.44 1.31 -0.15 -0.08 -2.08 0.00 0.00 177.43 176.87 2d9x h GLU 34 N 0.06 -0.41 0.00 4.14 4.22 -1.98 -3.36 114.58 117.25 2d9x h GLU 34 Ca -0.14 0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.23 2d9x h GLU 34 Cb 1.95 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 2d9x h GLU 34 CO 0.18 -0.10 -0.54 0.00 -2.18 0.00 0.00 179.01 176.37 2d9x h ALA 35 N -0.17 0.11 0.00 2.92 0.00 -2.00 -3.49 119.26 116.63 2d9x h ALA 35 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2d9x h ALA 35 Cb 0.49 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2d9x h ALA 35 CO 0.07 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2d9x n GLY 36 N 1.54 1.73 3.43 0.00 0.00 0.61 -5.09 105.19 107.41 2d9x n GLY 36 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 2.55 -0.39 0.99 1.43 -1.22 -3.86 118.68 118.19 2d9x s LEU 37 Ca 0.00 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 2d9x s LEU 37 Cb 0.00 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.73 2d9x s LEU 37 CO 0.00 0.33 0.37 -0.22 0.23 0.00 0.00 176.35 177.06 2d9x s LEU 38 N -0.63 4.75 0.38 1.79 2.96 -0.23 -2.78 118.68 124.92 2d9x s LEU 38 Ca 0.09 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 2d9x s LEU 38 Cb -0.11 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 2d9x s LEU 38 CO 0.01 -0.45 0.12 -1.61 -1.32 0.00 0.00 176.35 173.09 2d9x s GLU 39 N 1.98 2.20 -0.17 1.98 2.02 -1.24 -0.37 118.70 125.10 2d9x s GLU 39 Ca 0.10 -1.77 -0.08 0.00 0.02 0.00 0.00 54.97 53.24 2d9x s GLU 39 Cb -0.17 -1.99 0.06 0.00 0.10 0.00 0.00 34.13 32.13 2d9x s GLU 39 CO 0.12 0.01 0.39 1.52 0.02 0.00 0.00 175.26 177.32 2d9x s TYR 40 N -2.55 -0.60 0.22 1.61 -0.85 -1.06 -2.25 117.35 111.88 2d9x s TYR 40 Ca 0.38 1.27 0.11 0.00 -0.52 0.00 0.00 57.07 58.30 2d9x s TYR 40 Cb 0.02 0.24 -0.05 0.00 0.38 0.00 0.00 41.96 42.55 2d9x s TYR 40 CO 0.21 -0.35 -0.20 -0.06 -1.52 0.00 0.00 175.55 173.63 2d9x s PHE 41 N 1.57 2.14 0.30 -3.49 0.40 0.70 -2.96 117.98 116.64 2d9x s PHE 41 Ca -0.08 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 2d9x s PHE 41 Cb -0.09 -1.00 0.80 0.00 0.51 0.00 0.00 43.02 43.23 2d9x s PHE 41 CO -0.12 0.53 1.65 -0.39 0.70 0.00 0.00 175.22 177.59 2d9x h VAL 42 N 2.82 0.31 -3.27 -0.44 -1.51 -1.82 -0.64 116.25 111.71 2d9x h VAL 42 Ca -0.42 -0.08 -0.12 0.00 -1.23 0.00 0.00 66.70 64.85 2d9x h VAL 42 Cb 1.23 0.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.42 2d9x h VAL 42 CO 0.54 0.04 0.10 0.59 -1.23 0.00 0.00 177.57 177.62 2d9x n ASN 43 N -5.18 -1.76 0.24 4.19 3.02 -1.26 -3.69 115.26 110.82 2d9x n ASN 43 Ca 0.24 -2.56 0.13 0.00 -0.03 0.00 0.00 54.58 52.36 2d9x n ASN 43 Cb 0.75 3.03 0.50 0.00 -0.61 0.00 0.00 39.78 43.45 2d9x n ASN 43 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2d9x h GLU 44 N 0.00 0.00 0.14 3.52 5.08 -1.95 -3.11 114.58 118.26 2d9x h GLU 44 Ca -0.28 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.78 2d9x h GLU 44 Cb 1.11 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.39 2d9x h GLU 44 CO 0.37 0.12 -1.24 0.37 -1.00 0.00 0.00 179.01 177.62 2d9x h GLN 45 N 0.00 0.60 -1.99 2.33 5.75 -1.98 -3.32 115.11 116.50 2d9x h GLN 45 Ca -0.00 -0.83 -0.28 0.00 -0.15 0.00 0.00 58.65 57.40 2d9x h GLN 45 Cb 0.70 0.28 -0.10 0.00 1.07 0.00 0.00 27.48 29.43 2d9x h GLN 45 CO 0.02 1.38 -0.13 0.43 -2.65 0.00 0.00 178.83 177.87 2d9x n SER 46 N -3.81 5.63 -0.02 -0.69 7.64 -1.17 -4.40 113.62 116.79 2d9x n SER 46 Ca -0.14 -2.70 -0.01 0.00 1.01 0.00 0.00 58.87 57.02 2d9x n SER 46 Cb 0.99 -1.35 -0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 1.94 0.14 -0.28 1.43 1.74 -1.25 -4.37 116.66 116.02 2d9x n ARG 47 Ca 0.43 0.33 0.17 0.00 -0.77 0.00 0.00 57.85 58.00 2d9x n ARG 47 Cb 0.79 -1.04 0.32 0.00 -1.02 0.00 0.00 32.46 31.51 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 -3.00 0.03 -4.59 0.55 5.15 -1.26 -4.42 115.26 107.72 2d9x n ASN 48 Ca -0.02 1.38 -0.31 0.00 -0.60 0.00 0.00 54.58 55.03 2d9x n ASN 48 Cb 0.08 -0.56 0.19 0.00 -0.53 0.00 0.00 39.78 38.96 2d9x n ASN 48 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2d9x n GLN 49 N -5.06 -0.94 -1.67 1.20 0.00 -1.26 -4.88 117.38 104.76 2d9x n GLN 49 Ca 0.23 -0.22 -0.44 0.00 -0.00 0.00 0.00 57.00 56.57 2d9x n GLN 49 Cb 0.77 -2.27 -0.02 0.00 0.00 0.00 0.00 30.24 28.72 2d9x n GLN 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2d9x n LYS 50 N -4.15 1.97 -2.22 3.69 3.00 -1.26 -4.91 118.16 114.28 2d9x n LYS 50 Ca 0.09 0.70 -0.42 0.00 -0.00 0.00 0.00 58.31 58.68 2d9x n LYS 50 Cb 0.53 -2.30 -0.03 0.00 0.00 0.00 0.00 35.03 33.23 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 -0.99 4.37 0.24 1.64 0.04 -1.26 -4.93 135.00 134.11 2d9x s PRO 51 Ca 0.63 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.66 2d9x s PRO 51 Cb -0.63 -3.23 0.40 0.00 0.04 0.00 0.00 34.50 31.08 2d9x s PRO 51 CO 0.55 -0.32 1.78 0.00 0.04 0.00 0.00 177.00 179.04 2d9x h ARG 52 N 6.05 0.61 -3.07 4.56 2.47 -1.88 -3.45 114.38 119.67 2d9x h ARG 52 Ca -0.43 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.22 2d9x h ARG 52 Cb 1.21 -0.14 -0.12 0.00 -1.65 0.00 0.00 29.97 29.27 2d9x h ARG 52 CO 0.81 0.40 0.16 0.20 0.56 0.00 0.00 179.97 182.11 2d9x s GLY 53 N -3.30 -0.55 0.04 0.04 0.00 -1.24 -5.05 107.32 97.26 2d9x s GLY 53 Ca -0.12 0.39 -0.03 0.00 0.00 0.00 0.00 44.72 44.95 2d9x s GLY 53 CO 0.77 0.08 0.04 -0.51 0.00 0.00 0.00 173.10 173.47 2d9x s THR 54 N -3.76 0.16 -0.11 0.90 -4.23 -1.26 -2.56 115.64 104.78 2d9x s THR 54 Ca 0.01 -1.31 -0.07 0.00 -1.18 0.00 0.00 61.69 59.14 2d9x s THR 54 Cb -0.01 -1.03 0.04 0.00 1.34 0.00 0.00 72.50 72.84 2d9x s THR 54 CO -0.13 -0.73 0.27 -0.22 -0.54 0.00 0.00 174.62 173.28 2d9x s LEU 55 N -2.34 0.64 0.45 4.79 2.96 0.50 -4.98 118.68 120.71 2d9x s LEU 55 Ca -0.02 0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 54.24 2d9x s LEU 55 Cb 0.01 0.87 -0.10 0.00 0.50 0.00 0.00 46.19 47.47 2d9x s LEU 55 CO -0.06 -0.13 1.00 -1.10 -1.32 0.00 0.00 176.35 174.73 2d9x s GLN 56 N 0.75 4.02 -0.12 1.98 -0.21 -1.26 -1.07 119.66 123.76 2d9x s GLN 56 Ca -0.05 1.26 0.05 0.00 0.02 0.00 0.00 55.36 56.64 2d9x s GLN 56 Cb -0.06 -2.16 -0.11 0.00 1.00 0.00 0.00 33.01 31.68 2d9x s GLN 56 CO -0.05 -0.23 -0.04 1.28 -2.12 0.00 0.00 175.29 174.14 2d9x n LEU 57 N -0.76 1.47 -4.42 2.90 4.77 -1.25 -4.77 117.00 114.95 2d9x n LEU 57 Ca 0.08 -0.04 -0.48 0.00 -0.03 0.00 0.00 56.01 55.54 2d9x n LEU 57 Cb 0.53 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 2d9x n LEU 57 CO 0.39 0.49 1.96 0.00 -1.33 0.00 0.00 177.39 178.89 2d9x n ALA 58 N -2.63 0.51 -1.78 -1.18 0.00 -1.26 0.71 120.51 114.88 2d9x n ALA 58 Ca -0.20 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2d9x n ALA 58 Cb 0.79 -2.39 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 6.75 0.81 3.95 0.00 0.00 -1.23 -4.54 105.19 110.93 2d9x n GLY 59 Ca 0.54 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.35 4.32 -0.04 4.61 0.00 0.22 -2.25 121.76 126.27 2d9x s ALA 60 Ca 0.00 -1.77 0.04 0.00 0.00 0.00 0.00 51.96 50.22 2d9x s ALA 60 Cb 0.00 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.78 2d9x s ALA 60 CO 0.00 -0.27 -0.15 0.08 0.00 0.00 0.00 175.76 175.42 2d9x s VAL 61 N -2.41 1.25 -0.24 0.00 1.01 -1.25 -4.94 120.40 113.81 2d9x s VAL 61 Ca 0.52 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 2d9x s VAL 61 Cb -0.07 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.24 2d9x s VAL 61 CO 0.31 0.37 -0.04 -0.63 0.00 0.00 0.00 175.10 175.10 2d9x s ILE 62 N 0.08 3.16 -0.42 2.22 1.09 -1.26 0.05 121.20 126.11 2d9x s ILE 62 Ca -0.04 -0.79 0.03 0.00 -1.10 0.00 0.00 60.65 58.75 2d9x s ILE 62 Cb -0.11 -2.54 0.12 0.00 -1.06 0.00 0.00 42.46 38.87 2d9x s ILE 62 CO 0.02 0.27 0.18 -0.55 -0.10 0.00 0.00 174.94 174.76 2d9x s SER 63 N 1.40 4.20 -0.39 3.58 0.15 -1.19 -5.01 113.70 116.44 2d9x s SER 63 Ca 0.03 -2.50 -0.28 0.00 0.70 0.00 0.00 55.95 53.90 2d9x s SER 63 Cb -0.16 -1.36 -0.01 0.00 -1.71 0.00 0.00 66.02 62.78 2d9x s SER 63 CO -0.04 -0.30 1.73 -2.16 1.20 0.00 0.00 173.24 173.67 2d9x s PRO 64 N 0.45 3.27 1.20 5.44 0.04 -1.26 -3.09 135.00 141.06 2d9x s PRO 64 Ca 0.15 1.20 -0.18 0.00 0.04 0.00 0.00 61.00 62.20 2d9x s PRO 64 Cb -0.23 -4.19 0.23 0.00 0.04 0.00 0.00 34.50 30.36 2d9x s PRO 64 CO -0.05 -1.93 0.50 0.45 0.04 0.00 0.00 177.00 176.00 2d9x n SER 65 N 10.36 -2.97 -1.27 6.66 2.88 -1.24 -4.95 113.62 123.09 2d9x n SER 65 Ca 0.21 -0.42 0.04 0.00 -1.33 0.00 0.00 58.87 57.37 2d9x n SER 65 Cb 0.48 -0.96 0.08 0.00 -0.75 0.00 0.00 64.21 63.06 2d9x n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2d9x n ASP 66 N -3.23 1.29 -0.02 -3.46 8.00 -1.26 -4.85 116.55 113.01 2d9x n ASP 66 Ca 0.06 -2.61 -0.02 0.00 0.71 0.00 0.00 54.79 52.93 2d9x n ASP 66 Cb 0.52 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2d9x n GLU 67 N -0.05 0.15 -3.96 -1.24 -0.58 -1.26 -4.98 120.64 108.72 2d9x n GLU 67 Ca 0.11 0.29 -0.32 0.00 -0.42 0.00 0.00 57.16 56.82 2d9x n GLU 67 Cb 1.00 -1.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.81 2d9x n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2d9x s ASP 68 N -4.30 6.14 0.28 1.62 1.11 -1.26 -5.00 116.67 115.26 2d9x s ASP 68 Ca -0.06 0.22 -0.06 0.00 0.18 0.00 0.00 52.55 52.84 2d9x s ASP 68 Cb 0.01 -1.85 0.53 0.00 1.07 0.00 0.00 42.92 42.68 2d9x s ASP 68 CO 0.08 0.20 1.57 0.77 1.18 0.00 0.00 175.17 178.97 2d9x h SER 69 N 3.35 -0.78 -3.69 0.27 4.64 -1.97 -3.29 113.55 112.08 2d9x h SER 69 Ca -0.46 0.29 -0.69 0.00 -0.47 0.00 0.00 61.79 60.45 2d9x h SER 69 Cb 1.17 0.57 -0.29 0.00 -0.31 0.00 0.00 62.40 63.53 2d9x h SER 69 CO 0.71 -0.33 -0.63 -1.00 -0.87 0.00 0.00 176.83 174.71 2d9x s HIS 70 N -6.19 3.24 -0.26 4.77 3.76 -1.26 -4.50 115.29 114.85 2d9x s HIS 70 Ca -0.14 -1.49 -0.26 0.00 -0.15 0.00 0.00 55.06 53.01 2d9x s HIS 70 Cb 0.27 -2.23 0.13 0.00 1.11 0.00 0.00 32.58 31.86 2d9x s HIS 70 CO 0.78 -0.73 1.06 0.99 -0.85 0.00 0.00 174.74 175.98 2d9x s THR 71 N 1.37 0.00 -0.26 1.30 2.01 -1.24 -4.35 115.64 114.48 2d9x s THR 71 Ca -0.02 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.70 2d9x s THR 71 Cb -0.19 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.49 2d9x s THR 71 CO 0.02 0.00 1.25 0.72 -0.69 0.00 0.00 174.62 175.92 2d9x s PHE 72 N -0.07 -0.17 0.26 4.92 -0.12 -1.14 -3.62 117.98 118.04 2d9x s PHE 72 Ca 0.03 0.35 0.10 0.00 -0.05 0.00 0.00 56.93 57.35 2d9x s PHE 72 Cb -0.04 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 2d9x s PHE 72 CO -0.05 -0.13 -0.03 0.95 -0.05 0.00 0.00 175.22 175.91 2d9x s THR 73 N -0.63 3.36 -0.43 -4.49 -4.23 -1.18 -2.74 115.64 105.30 2d9x s THR 73 Ca 0.05 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.66 2d9x s THR 73 Cb -0.02 -2.78 0.14 0.00 1.34 0.00 0.00 72.50 71.18 2d9x s THR 73 CO -0.07 -0.35 0.26 -0.69 -0.54 0.00 0.00 174.62 173.23 2d9x s VAL 74 N -2.27 1.05 1.30 2.29 1.01 -0.97 -3.20 120.40 119.61 2d9x s VAL 74 Ca 0.31 -2.45 -0.21 0.00 0.00 0.00 0.00 61.98 59.62 2d9x s VAL 74 Cb -0.07 -1.74 0.33 0.00 0.00 0.00 0.00 36.38 34.91 2d9x s VAL 74 CO 0.19 -0.96 0.76 0.59 0.00 0.00 0.00 175.10 175.67 2d9x n ASN 75 N 3.51 -3.92 -3.74 3.32 3.02 0.11 -2.90 115.26 114.65 2d9x n ASN 75 Ca 0.12 -0.76 -0.12 0.00 -0.03 0.00 0.00 54.58 53.79 2d9x n ASN 75 Cb 0.37 -0.88 -0.11 0.00 -0.61 0.00 0.00 39.78 38.54 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 -2.09 -0.86 0.24 5.41 0.00 0.12 -3.97 121.76 120.61 2d9x s ALA 76 Ca 0.58 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 53.48 2d9x s ALA 76 Cb -0.10 -0.65 0.29 0.00 0.00 0.00 0.00 23.12 22.66 2d9x s ALA 76 CO 0.49 -0.19 1.55 0.00 0.00 0.00 0.00 175.76 177.61 2d9x h ALA 77 N 6.12 0.28 -0.67 0.00 0.00 -1.69 0.54 119.26 123.83 2d9x h ALA 77 Ca -0.30 0.30 0.13 0.00 0.00 0.00 0.00 54.91 55.04 2d9x h ALA 77 Cb 1.18 0.96 -0.09 0.00 0.00 0.00 0.00 17.79 19.83 2d9x h ALA 77 CO 0.30 -0.57 0.18 0.77 0.00 0.00 0.00 179.25 179.94 2d9x h SER 78 N -0.00 0.08 0.00 0.00 0.02 -1.92 -3.45 113.55 108.27 2d9x h SER 78 Ca 0.38 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2d9x h SER 78 Cb 0.63 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2d9x h SER 78 CO -1.00 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 175.32 2d9x n GLY 79 N -1.33 0.34 3.05 -3.77 0.00 0.19 -5.17 105.19 98.51 2d9x n GLY 79 Ca 0.11 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 0.58 0.07 1.61 2.56 -1.20 -4.93 118.70 117.39 2d9x s GLU 80 Ca 0.00 -0.62 0.09 0.00 0.00 0.00 0.00 54.97 54.44 2d9x s GLU 80 Cb 0.00 -0.46 -0.03 0.00 2.00 0.00 0.00 34.13 35.64 2d9x s GLU 80 CO 0.00 0.10 -0.26 -1.14 -0.56 0.00 0.00 175.26 173.41 2d9x s GLN 81 N -1.14 1.63 -0.14 4.30 0.74 -1.26 0.12 119.66 123.90 2d9x s GLN 81 Ca -0.05 -1.15 0.02 0.00 0.05 0.00 0.00 55.36 54.24 2d9x s GLN 81 Cb -0.08 -1.88 0.01 0.00 1.10 0.00 0.00 33.01 32.17 2d9x s GLN 81 CO 0.00 0.47 -0.21 0.71 -0.55 0.00 0.00 175.29 175.72 2d9x s TYR 82 N -0.88 2.64 -0.60 1.67 1.51 -1.14 -4.93 117.35 115.62 2d9x s TYR 82 Ca 0.12 -1.37 -0.20 0.00 -1.01 0.00 0.00 57.07 54.60 2d9x s TYR 82 Cb -0.10 -1.81 0.09 0.00 -0.11 0.00 0.00 41.96 40.04 2d9x s TYR 82 CO 0.03 -0.64 0.77 0.21 -1.11 0.00 0.00 175.55 174.81 2d9x s LYS 83 N 0.91 3.07 0.34 -0.62 2.20 -1.26 -2.29 119.74 122.10 2d9x s LYS 83 Ca -0.05 -1.14 0.09 0.00 -0.36 0.00 0.00 55.97 54.51 2d9x s LYS 83 Cb -0.15 -4.24 -0.07 0.00 -1.51 0.00 0.00 37.83 31.86 2d9x s LYS 83 CO -0.04 -1.59 -0.09 -0.51 -0.36 0.00 0.00 175.35 172.76 2d9x s LEU 84 N 3.06 2.72 -0.04 5.43 1.43 -1.11 -2.92 118.68 127.26 2d9x s LEU 84 Ca 0.15 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 2d9x s LEU 84 Cb -0.22 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.06 2d9x s LEU 84 CO 0.08 -0.22 -0.00 -0.60 0.23 0.00 0.00 176.35 175.83 2d9x s ARG 85 N -3.62 0.39 0.51 1.70 3.52 -1.11 -2.86 118.95 117.48 2d9x s ARG 85 Ca 0.32 0.08 -0.20 0.00 -0.13 0.00 0.00 55.73 55.81 2d9x s ARG 85 Cb 0.03 -0.61 -0.07 0.00 -1.56 0.00 0.00 34.95 32.73 2d9x s ARG 85 CO 0.16 -0.17 1.08 0.00 -0.81 0.00 0.00 175.30 175.56 2d9x s ALA 86 N 1.26 2.80 0.20 6.12 0.00 -1.26 -3.34 121.76 127.54 2d9x s ALA 86 Ca -0.06 0.70 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 2d9x s ALA 86 Cb -0.13 -3.30 0.21 0.00 0.00 0.00 0.00 23.12 19.90 2d9x s ALA 86 CO -0.02 -0.50 1.82 0.00 0.00 0.00 0.00 175.76 177.06 2d9x h THR 87 N 1.42 1.01 -4.13 0.00 1.03 -1.89 -3.44 112.91 106.91 2d9x h THR 87 Ca -0.50 -0.25 -0.12 0.00 -0.01 0.00 0.00 66.41 65.54 2d9x h THR 87 Cb 1.24 0.23 -0.15 0.00 -1.07 0.00 0.00 68.15 68.39 2d9x h THR 87 CO 0.58 0.13 -0.62 1.51 -0.01 0.00 0.00 175.52 177.12 2d9x s ASP 88 N -5.64 0.40 0.32 0.00 1.47 -1.26 -5.00 116.67 106.96 2d9x s ASP 88 Ca -0.13 -0.90 0.10 0.00 1.18 0.00 0.00 52.55 52.80 2d9x s ASP 88 Cb 0.15 0.22 0.92 0.00 -0.34 0.00 0.00 42.92 43.87 2d9x s ASP 88 CO 0.76 -0.61 1.69 0.00 0.68 0.00 0.00 175.17 177.69 2d9x h ALA 89 N 3.16 1.73 -0.51 2.11 0.00 -1.86 0.32 119.26 124.21 2d9x h ALA 89 Ca -0.34 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2d9x h ALA 89 Cb 1.16 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2d9x h ALA 89 CO 0.63 -0.42 -0.07 -0.22 0.00 0.00 0.00 179.25 179.16 2d9x h LYS 90 N 0.40 0.94 0.00 0.00 1.63 -1.96 -2.47 116.57 115.12 2d9x h LYS 90 Ca 0.65 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 2d9x h LYS 90 Cb 1.36 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2d9x h LYS 90 CO -0.56 1.00 0.00 1.49 -3.45 0.00 0.00 179.45 177.93 2d9x h GLU 91 N 0.81 0.00 0.80 1.90 4.57 -0.78 -2.98 114.58 118.89 2d9x h GLU 91 Ca 0.13 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 2d9x h GLU 91 Cb 0.62 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2d9x h GLU 91 CO 0.04 0.00 -0.38 -0.09 -1.18 0.00 0.00 179.01 177.40 2d9x h ARG 92 N 0.00 -1.03 -0.85 1.92 2.43 -0.89 -1.77 114.38 114.19 2d9x h ARG 92 Ca 0.00 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.38 2d9x h ARG 92 Cb 0.08 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 2d9x h ARG 92 CO 0.00 -0.69 0.55 -0.56 -1.51 0.00 0.00 179.97 177.76 2d9x h GLN 93 N -1.13 0.59 0.74 0.20 3.07 -1.65 0.16 115.11 117.10 2d9x h GLN 93 Ca -0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.56 2d9x h GLN 93 Cb 0.82 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.25 2d9x h GLN 93 CO 0.18 0.39 -0.38 1.25 0.09 0.00 0.00 178.83 180.36 2d9x h HIS 94 N 0.61 -0.99 0.01 0.06 2.76 -1.50 0.43 115.15 116.53 2d9x h HIS 94 Ca 0.42 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 2d9x h HIS 94 Cb 0.75 0.34 0.00 0.00 1.55 0.00 0.00 27.41 30.05 2d9x h HIS 94 CO -0.00 -0.60 -0.01 -1.49 -1.30 0.00 0.00 177.93 174.53 2d9x h TRP 95 N -1.03 -0.02 -0.69 5.26 4.06 -0.78 0.20 115.95 122.95 2d9x h TRP 95 Ca -0.10 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.92 2d9x h TRP 95 Cb 0.80 0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.91 2d9x h TRP 95 CO -0.04 0.19 0.37 0.28 -3.56 0.00 0.00 178.44 175.68 2d9x h VAL 96 N -0.22 0.93 0.30 1.49 2.07 -0.70 -1.24 116.25 118.88 2d9x h VAL 96 Ca -0.00 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2d9x h VAL 96 Cb 0.21 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2d9x h VAL 96 CO 0.00 0.12 -0.14 -1.28 0.02 0.00 0.00 177.57 176.29 2d9x h SER 97 N 0.67 -0.34 -0.99 0.57 0.87 -0.03 -0.50 113.55 113.80 2d9x h SER 97 Ca 0.32 0.01 0.30 0.00 -1.23 0.00 0.00 61.79 61.19 2d9x h SER 97 Cb 0.25 0.09 -0.18 0.00 -0.44 0.00 0.00 62.40 62.11 2d9x h SER 97 CO -0.21 -0.08 0.14 0.54 -0.53 0.00 0.00 176.83 176.69 2d9x n ARG 98 N -3.96 -0.07 -0.05 2.24 5.12 0.68 0.10 116.66 120.72 2d9x n ARG 98 Ca -0.05 1.46 -0.16 0.00 -1.93 0.00 0.00 57.85 57.17 2d9x n ARG 98 Cb 0.16 -2.38 -0.06 0.00 -1.16 0.00 0.00 32.46 29.02 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 0.90 -2.24 0.55 3.38 -1.28 -0.63 115.31 115.99 2d9x h LEU 99 Ca 0.65 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2d9x h LEU 99 Cb 1.46 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2d9x h LEU 99 CO -0.89 1.32 -0.06 1.56 0.09 0.00 0.00 178.44 180.46 2d9x h GLN 100 N 0.52 0.00 0.03 1.13 4.20 0.24 0.42 115.11 121.66 2d9x h GLN 100 Ca -0.01 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.42 2d9x h GLN 100 Cb 1.22 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 2d9x h GLN 100 CO 0.13 0.06 -1.51 -0.89 -0.67 0.00 0.00 178.83 175.94 2d9x n ILE 101 N -3.59 1.60 0.19 2.54 5.41 0.74 -3.64 119.36 122.61 2d9x n ILE 101 Ca -0.02 -0.21 0.04 0.00 1.00 0.00 0.00 62.75 63.56 2d9x n ILE 101 Cb 0.16 -1.95 0.37 0.00 -0.71 0.00 0.00 39.64 37.52 2d9x n ILE 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2d9x h THR 103 N 0.00 1.32 0.15 0.00 1.03 -0.32 -2.74 112.91 112.34 2d9x h THR 103 Ca -0.00 -1.70 -0.36 0.00 -0.01 0.00 0.00 66.41 64.34 2d9x h THR 103 Cb 0.74 1.69 -0.01 0.00 -1.07 0.00 0.00 68.15 69.51 2d9x h THR 103 CO 0.05 0.53 -1.90 -0.61 -0.01 0.00 0.00 175.52 173.57 2d9x h GLN 104 N 0.42 0.31 -0.04 0.00 4.15 -1.58 -2.89 115.11 115.48 2d9x h GLN 104 Ca 0.02 -0.54 0.01 0.00 0.77 0.00 0.00 58.65 58.92 2d9x h GLN 104 Cb 1.00 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 2d9x h GLN 104 CO 0.09 1.25 0.06 1.25 -1.93 0.00 0.00 178.83 179.55 2d9x h HIS 105 N 0.09 0.00 0.03 3.99 2.76 -0.56 0.17 115.15 121.63 2d9x h HIS 105 Ca -0.39 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.47 2d9x h HIS 105 Cb 2.06 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.98 2d9x h HIS 105 CO 0.09 0.00 -1.71 0.72 -1.30 0.00 0.00 177.93 175.72 2d9x n HIS 106 N -3.67 0.88 -0.25 5.26 8.25 -1.03 -4.10 115.22 120.56 2d9x n HIS 106 Ca -0.02 0.31 -0.02 0.00 -0.26 0.00 0.00 57.72 57.72 2d9x n HIS 106 Cb 0.14 -1.10 0.16 0.00 1.12 0.00 0.00 29.99 30.32 2d9x n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d9x h THR 107 N -0.66 1.23 -0.47 1.59 1.03 -1.26 -2.07 112.91 112.30 2d9x h THR 107 Ca -0.44 -0.60 0.07 0.00 -0.01 0.00 0.00 66.41 65.43 2d9x h THR 107 Cb 1.58 0.21 -0.03 0.00 -1.07 0.00 0.00 68.15 68.84 2d9x h THR 107 CO -0.16 0.26 0.32 -0.33 -0.01 0.00 0.00 175.52 175.60 2d9x h GLU 108 N 1.07 0.36 0.00 0.00 5.08 -0.85 0.10 114.58 120.34 2d9x h GLU 108 Ca 0.27 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2d9x h GLU 108 Cb 0.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2d9x h GLU 108 CO -0.04 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 2d9x h ALA 109 N 1.75 1.00 -2.42 3.43 0.00 -1.52 -3.42 119.26 118.07 2d9x h ALA 109 Ca 0.21 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.58 2d9x h ALA 109 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2d9x h ALA 109 CO -0.05 0.00 0.97 0.42 0.00 0.00 0.00 179.25 180.59 2d9x s ILE 110 N -3.70 3.21 0.00 0.00 -1.09 0.35 -4.86 121.20 115.11 2d9x s ILE 110 Ca -0.01 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 2d9x s ILE 110 Cb 0.09 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 2d9x s ILE 110 CO 0.37 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 2d9x n GLY 111 N 3.93 0.00 3.08 6.18 0.00 -1.26 -5.01 105.19 112.11 2d9x n GLY 111 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2d9x n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d9x s LYS 112 N -1.88 2.59 -0.07 1.61 2.20 -1.26 -5.10 119.74 117.82 2d9x s LYS 112 Ca 0.00 -1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 54.30 2d9x s LYS 112 Cb 0.00 -2.66 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2d9x s LYS 112 CO 0.00 -0.37 0.96 -0.80 -0.36 0.00 0.00 175.35 174.78 2d9x s ASN 113 N 1.24 7.25 0.04 1.43 -0.87 -1.26 -5.04 114.94 117.72 2d9x s ASN 113 Ca -0.01 1.52 0.01 0.00 -1.57 0.00 0.00 52.86 52.81 2d9x s ASN 113 Cb -0.16 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.25 38.50 2d9x s ASN 113 CO -0.09 -0.35 -0.06 0.20 -2.57 0.00 0.00 177.10 174.22 2d9x s ASN 114 N 1.05 0.63 0.09 -1.22 0.01 -1.26 -5.16 114.94 109.08 2d9x s ASN 114 Ca 0.48 -0.58 0.08 0.00 -0.71 0.00 0.00 52.86 52.13 2d9x s ASN 114 Cb -0.19 0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.51 2d9x s ASN 114 CO 0.21 -0.27 -0.21 -0.44 -1.51 0.00 0.00 177.10 174.88 2d9x s SER 115 N -1.68 2.49 -0.33 -1.22 0.01 -1.26 -5.10 113.70 106.61 2d9x s SER 115 Ca -0.10 -0.66 -0.09 0.00 1.31 0.00 0.00 55.95 56.41 2d9x s SER 115 Cb -0.08 -0.14 0.21 0.00 0.21 0.00 0.00 66.02 66.21 2d9x s SER 115 CO -0.01 0.06 1.11 -0.83 0.41 0.00 0.00 173.24 173.98 2d9x s GLY 116 N -1.81 -1.81 0.92 3.44 0.00 -1.26 -5.17 107.32 101.62 2d9x s GLY 116 Ca 0.06 0.94 -0.12 0.00 0.00 0.00 0.00 44.72 45.60 2d9x s GLY 116 CO 0.04 4.36 1.09 2.56 0.00 0.00 0.00 173.10 181.15 2d9x s PRO 117 N 1.37 1.05 0.12 2.90 0.04 -1.26 -5.02 135.00 134.20 2d9x s PRO 117 Ca 0.20 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.74 2d9x s PRO 117 Cb 0.10 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.78 2d9x s PRO 117 CO -0.13 -2.36 0.72 0.45 0.04 0.00 0.00 177.00 175.72 2d9x s SER 118 N -3.43 7.28 0.39 6.66 0.15 -1.26 -5.07 113.70 118.41 2d9x s SER 118 Ca 0.64 1.51 0.03 0.00 0.70 0.00 0.00 55.95 58.83 2d9x s SER 118 Cb -0.18 -2.46 -0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2d9x s SER 118 CO 0.57 0.19 0.58 -0.55 1.20 0.00 0.00 173.24 175.23 2d9x s SER 119 N -0.92 5.95 0.00 5.45 0.15 -1.26 -5.37 113.70 117.69 2d9x s SER 119 Ca 0.34 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2d9x s SER 119 Cb -0.22 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2d9x s SER 119 CO 0.24 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.75