#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 -0.75 -4.88 1.61 3.41 -1.26 -4.87 113.62 106.89 2d9x n SER 2 Ca 0.00 -1.01 -0.32 0.00 -0.26 0.00 0.00 58.87 57.29 2d9x n SER 2 Cb 0.00 -1.28 -0.05 0.00 -0.26 0.00 0.00 64.21 62.62 2d9x n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d9x s SER 3 N -3.22 6.61 0.01 4.04 0.01 -1.26 -5.09 113.70 114.80 2d9x s SER 3 Ca 0.46 0.90 0.07 0.00 1.31 0.00 0.00 55.95 58.69 2d9x s SER 3 Cb -0.27 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 2d9x s SER 3 CO 0.82 -0.07 -0.21 -0.83 0.41 0.00 0.00 173.24 173.35 2d9x s GLY 4 N -2.39 1.45 -0.12 3.44 0.00 -1.26 -5.06 107.32 103.39 2d9x s GLY 4 Ca 0.47 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.96 2d9x s GLY 4 CO 0.22 -1.01 -0.14 1.76 0.00 0.00 0.00 173.10 173.92 2d9x h SER 5 N 4.95 0.00 -3.52 1.64 0.02 -2.05 -3.47 113.55 111.13 2d9x h SER 5 Ca -0.46 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 59.93 2d9x h SER 5 Cb 1.14 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.79 2d9x h SER 5 CO 0.47 0.64 0.67 -1.54 -1.14 0.00 0.00 176.83 175.92 2d9x n SER 6 N -4.35 3.32 -3.73 3.07 3.41 -1.26 -5.01 113.62 109.08 2d9x n SER 6 Ca -0.05 1.21 -0.13 0.00 -0.26 0.00 0.00 58.87 59.63 2d9x n SER 6 Cb 0.20 -1.55 -0.10 0.00 -0.26 0.00 0.00 64.21 62.50 2d9x n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d9x s GLY 7 N -0.10 -0.31 -0.36 5.00 0.00 -1.26 -5.13 107.32 105.15 2d9x s GLY 7 Ca 0.56 1.16 -0.19 0.00 0.00 0.00 0.00 44.72 46.25 2d9x s GLY 7 CO 0.61 1.00 0.55 -0.54 0.00 0.00 0.00 173.10 174.71 2d9x s GLU 8 N 0.19 3.58 1.15 2.90 2.02 -1.26 -5.04 118.70 122.24 2d9x s GLU 8 Ca -0.00 -0.15 -0.15 0.00 0.02 0.00 0.00 54.97 54.69 2d9x s GLU 8 Cb -0.03 -3.83 0.22 0.00 0.10 0.00 0.00 34.13 30.60 2d9x s GLU 8 CO 0.01 -0.71 0.68 0.09 0.02 0.00 0.00 175.26 175.35 2d9x n ASN 9 N 5.86 -1.91 -3.71 -0.19 3.02 -1.26 -5.00 115.26 112.06 2d9x n ASN 9 Ca -0.04 -0.12 -0.19 0.00 -0.03 0.00 0.00 54.58 54.19 2d9x n ASN 9 Cb 0.49 -1.17 -0.18 0.00 -0.61 0.00 0.00 39.78 38.31 2d9x n ASN 9 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2d9x s VAL 10 N -2.35 -0.01 0.10 2.41 1.01 -1.26 -5.04 120.40 115.25 2d9x s VAL 10 Ca 0.64 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.88 2d9x s VAL 10 Cb -0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 2d9x s VAL 10 CO 0.65 0.18 0.18 -0.72 0.00 0.00 0.00 175.10 175.39 2d9x s TYR 11 N 1.91 0.29 0.00 5.22 -0.85 -1.26 -0.42 117.35 122.24 2d9x s TYR 11 Ca 0.02 -0.72 0.00 0.00 -0.52 0.00 0.00 57.07 55.85 2d9x s TYR 11 Cb -0.12 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.09 2d9x s TYR 11 CO -0.03 -0.56 0.00 0.41 -1.52 0.00 0.00 175.55 173.85 2d9x n GLY 12 N -0.08 0.86 3.50 5.49 0.00 -0.82 -5.00 105.19 109.15 2d9x n GLY 12 Ca -0.13 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 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 2.88 0.25 1.61 1.51 -1.26 -1.20 117.35 119.15 2d9x s TYR 13 Ca 0.00 -0.16 0.10 0.00 -1.01 0.00 0.00 57.07 56.00 2d9x s TYR 13 Cb 0.00 -3.89 -0.04 0.00 -0.11 0.00 0.00 41.96 37.91 2d9x s TYR 13 CO 0.00 -1.24 -0.08 -0.51 -1.11 0.00 0.00 175.55 172.62 2d9x s LEU 14 N 3.53 2.99 -0.01 -1.29 1.43 0.31 -4.63 118.68 121.00 2d9x s LEU 14 Ca 0.26 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 2d9x s LEU 14 Cb -0.14 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 2d9x s LEU 14 CO 0.17 0.03 0.37 -0.04 0.23 0.00 0.00 176.35 177.11 2d9x s MET 15 N -3.45 3.84 0.17 1.70 -1.94 -1.11 -0.01 119.30 118.50 2d9x s MET 15 Ca 0.30 0.32 0.08 0.00 -1.71 0.00 0.00 55.69 54.68 2d9x s MET 15 Cb -0.07 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.53 2d9x s MET 15 CO 0.18 0.70 -0.17 0.21 -0.01 0.00 0.00 175.02 175.92 2d9x s LYS 16 N -1.13 1.28 -0.64 2.03 2.20 0.67 -2.35 119.74 121.79 2d9x s LYS 16 Ca 0.23 -1.45 -0.18 0.00 -0.36 0.00 0.00 55.97 54.21 2d9x s LYS 16 Cb -0.16 -1.25 0.12 0.00 -1.51 0.00 0.00 37.83 35.03 2d9x s LYS 16 CO 0.12 0.24 0.75 -0.47 -0.36 0.00 0.00 175.35 175.63 2d9x s TYR 17 N -2.31 3.07 0.02 4.03 6.14 -1.22 -0.68 117.35 126.40 2d9x s TYR 17 Ca 0.17 -1.09 -0.17 0.00 0.64 0.00 0.00 57.07 56.62 2d9x s TYR 17 Cb -0.04 -4.02 -0.32 0.00 0.42 0.00 0.00 41.96 38.00 2d9x s TYR 17 CO 0.07 -1.29 1.02 0.00 0.64 0.00 0.00 175.55 175.98 2d9x h THR 18 N 5.82 1.35 -2.83 4.34 1.03 -1.94 -3.49 112.91 117.18 2d9x h THR 18 Ca -0.22 -2.53 -0.03 0.00 -0.01 0.00 0.00 66.41 63.62 2d9x h THR 18 Cb 1.08 2.93 0.01 0.00 -1.07 0.00 0.00 68.15 71.09 2d9x h THR 18 CO 1.07 0.75 0.22 0.59 -0.01 0.00 0.00 175.52 178.14 2d9x n ASN 19 N -3.88 -1.87 0.04 0.00 3.02 -1.26 -5.03 115.26 106.27 2d9x n ASN 19 Ca -0.15 -2.31 -0.08 0.00 -0.03 0.00 0.00 54.58 52.01 2d9x n ASN 19 Cb 0.97 3.12 -0.06 0.00 -0.61 0.00 0.00 39.78 43.20 2d9x n ASN 19 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2d9x h LEU 20 N 0.00 -0.17 0.17 3.41 4.07 -1.95 -2.05 115.31 118.79 2d9x h LEU 20 Ca -0.27 -0.29 0.01 0.00 0.08 0.00 0.00 57.88 57.41 2d9x h LEU 20 Cb 1.01 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 2d9x h LEU 20 CO 0.35 0.41 -0.21 1.62 -1.08 0.00 0.00 178.44 179.53 2d9x h VAL 21 N -0.96 0.54 -0.59 1.22 3.04 -2.04 -2.75 116.25 114.70 2d9x h VAL 21 Ca -0.02 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.71 2d9x h VAL 21 Cb 0.44 0.54 -0.04 0.00 -2.01 0.00 0.00 31.29 30.22 2d9x h VAL 21 CO 0.03 0.00 0.34 0.74 -1.01 0.00 0.00 177.57 177.67 2d9x h THR 22 N -0.43 1.01 0.00 3.17 2.02 -1.98 -3.47 112.91 113.24 2d9x h THR 22 Ca 0.01 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2d9x h THR 22 Cb 0.42 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2d9x h THR 22 CO -0.08 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.54 2d9x n GLY 23 N -1.27 1.51 3.35 2.16 0.00 -0.77 -4.84 105.19 105.33 2d9x n GLY 23 Ca 0.06 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 2.36 -0.03 1.61 0.52 -1.26 -3.71 118.94 118.43 2d9x s TRP 24 Ca 0.00 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.74 2d9x s TRP 24 Cb 0.00 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.89 2d9x s TRP 24 CO 0.00 0.09 -0.07 -0.65 0.02 0.00 0.00 176.95 176.34 2d9x s GLN 25 N -1.04 0.80 0.27 4.98 -0.21 0.14 -4.90 119.66 119.70 2d9x s GLN 25 Ca 0.11 -0.21 -0.29 0.00 0.02 0.00 0.00 55.36 54.99 2d9x s GLN 25 Cb -0.10 -0.77 -0.09 0.00 1.00 0.00 0.00 33.01 33.04 2d9x s GLN 25 CO 0.01 0.05 1.17 0.71 -2.12 0.00 0.00 175.29 175.11 2d9x s TYR 26 N 0.37 3.43 0.24 0.91 2.02 -1.26 -0.24 117.35 122.82 2d9x s TYR 26 Ca -0.05 1.58 -0.13 0.00 -0.37 0.00 0.00 57.07 58.09 2d9x s TYR 26 Cb -0.09 -3.41 -0.00 0.00 -0.40 0.00 0.00 41.96 38.06 2d9x s TYR 26 CO 0.00 -0.99 0.48 1.03 -1.57 0.00 0.00 175.55 174.50 2d9x s ARG 27 N -1.27 1.52 -0.23 -0.62 0.52 0.99 -4.92 118.95 114.94 2d9x s ARG 27 Ca 0.47 -1.21 -0.10 0.00 -0.52 0.00 0.00 55.73 54.37 2d9x s ARG 27 Cb -0.34 0.47 -0.05 0.00 0.52 0.00 0.00 34.95 35.56 2d9x s ARG 27 CO 0.43 -0.63 0.14 0.12 0.02 0.00 0.00 175.30 175.38 2d9x s PHE 28 N -4.00 3.31 -0.03 -0.53 5.36 -1.00 -0.53 117.98 120.55 2d9x s PHE 28 Ca 0.21 0.19 0.04 0.00 -0.96 0.00 0.00 56.93 56.41 2d9x s PHE 28 Cb -0.01 -2.24 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 2d9x s PHE 28 CO 0.08 0.08 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.72 2d9x s PHE 29 N 0.95 2.72 -0.08 10.12 0.40 -0.34 -1.29 117.98 130.45 2d9x s PHE 29 Ca 0.07 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2d9x s PHE 29 Cb -0.13 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.81 2d9x s PHE 29 CO 0.03 0.23 -0.03 0.08 0.70 0.00 0.00 175.22 176.23 2d9x s VAL 30 N -0.79 0.61 0.02 -0.44 1.01 -0.51 -1.94 120.40 118.35 2d9x s VAL 30 Ca 0.13 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 2d9x s VAL 30 Cb -0.11 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.50 2d9x s VAL 30 CO 0.02 0.30 0.43 -0.22 0.00 0.00 0.00 175.10 175.62 2d9x s LEU 31 N 1.83 4.47 -0.27 3.92 2.96 0.44 -1.97 118.68 130.05 2d9x s LEU 31 Ca 0.04 0.99 -0.06 0.00 -0.22 0.00 0.00 54.13 54.88 2d9x s LEU 31 Cb -0.12 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 43.90 2d9x s LEU 31 CO -0.06 0.30 0.04 0.20 -1.32 0.00 0.00 176.35 175.51 2d9x s ASN 32 N -1.15 4.89 -0.09 3.68 -0.87 -0.68 -4.07 114.94 116.65 2d9x s ASN 32 Ca 0.25 -0.57 -0.04 0.00 -1.57 0.00 0.00 52.86 50.94 2d9x s ASN 32 Cb -0.17 -1.84 -0.26 0.00 -0.02 0.00 0.00 41.25 38.96 2d9x s ASN 32 CO 0.14 -0.12 0.49 -1.13 -2.57 0.00 0.00 177.10 173.91 2d9x h ASN 33 N 8.19 0.37 -0.68 -1.22 -1.24 -1.95 0.62 115.58 119.68 2d9x h ASN 33 Ca -0.35 -0.76 -0.05 0.00 0.71 0.00 0.00 56.30 55.85 2d9x h ASN 33 Cb 1.14 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 40.04 2d9x h ASN 33 CO 0.60 1.68 0.23 1.05 -1.29 0.00 0.00 177.43 179.69 2d9x h GLU 34 N 0.06 1.06 0.00 6.67 4.11 -1.96 -3.34 114.58 121.19 2d9x h GLU 34 Ca -0.38 -0.21 -0.42 0.00 0.07 0.00 0.00 59.36 58.43 2d9x h GLU 34 Cb 2.04 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 31.06 2d9x h GLU 34 CO 0.10 0.89 -2.35 0.00 0.07 0.00 0.00 179.01 177.73 2d9x n ALA 35 N -2.45 1.15 0.00 1.06 0.00 -1.26 -5.05 120.51 113.96 2d9x n ALA 35 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2d9x n ALA 35 Cb 0.21 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 1.28 1.42 3.19 0.00 0.00 0.20 -5.07 105.19 106.21 2d9x n GLY 36 Ca -0.50 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 2.04 -0.37 0.99 1.43 -1.16 -3.60 118.68 118.02 2d9x s LEU 37 Ca 0.00 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 2d9x s LEU 37 Cb 0.00 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.25 2d9x s LEU 37 CO 0.00 0.23 0.25 -0.22 0.23 0.00 0.00 176.35 176.84 2d9x s LEU 38 N -0.48 4.72 0.39 1.79 2.96 -0.77 -1.69 118.68 125.59 2d9x s LEU 38 Ca 0.07 -0.65 0.08 0.00 -0.22 0.00 0.00 54.13 53.41 2d9x s LEU 38 Cb -0.07 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2d9x s LEU 38 CO -0.01 -0.32 0.19 -1.61 -1.32 0.00 0.00 176.35 173.28 2d9x s GLU 39 N 1.68 2.30 -0.24 1.98 2.02 -0.83 -1.00 118.70 124.61 2d9x s GLU 39 Ca 0.05 -1.71 -0.16 0.00 0.02 0.00 0.00 54.97 53.17 2d9x s GLU 39 Cb -0.18 -2.09 0.07 0.00 0.10 0.00 0.00 34.13 32.03 2d9x s GLU 39 CO 0.10 -0.05 0.61 1.52 0.02 0.00 0.00 175.26 177.46 2d9x s TYR 40 N -2.53 -0.86 0.29 1.61 1.13 -1.23 -1.43 117.35 114.33 2d9x s TYR 40 Ca 0.41 1.82 0.11 0.00 -1.41 0.00 0.00 57.07 58.00 2d9x s TYR 40 Cb 0.01 0.45 -0.05 0.00 -1.10 0.00 0.00 41.96 41.26 2d9x s TYR 40 CO 0.23 -0.43 -0.18 -0.06 -2.51 0.00 0.00 175.55 172.60 2d9x s PHE 41 N 1.23 2.28 0.32 -3.49 0.40 -0.41 -2.45 117.98 115.85 2d9x s PHE 41 Ca -0.07 -0.37 0.10 0.00 -0.60 0.00 0.00 56.93 55.99 2d9x s PHE 41 Cb -0.06 -1.05 0.97 0.00 0.51 0.00 0.00 43.02 43.40 2d9x s PHE 41 CO -0.13 0.68 1.64 -0.39 0.70 0.00 0.00 175.22 177.72 2d9x h VAL 42 N 2.24 0.24 -2.20 -0.44 -1.51 -1.85 -2.66 116.25 110.07 2d9x h VAL 42 Ca -0.40 -0.07 0.14 0.00 -1.23 0.00 0.00 66.70 65.13 2d9x h VAL 42 Cb 1.26 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 30.40 2d9x h VAL 42 CO 0.62 0.04 0.47 0.59 -1.23 0.00 0.00 177.57 178.06 2d9x n ASN 43 N -5.18 -1.17 -0.01 4.19 3.02 -1.26 -4.01 115.26 110.84 2d9x n ASN 43 Ca 0.28 -1.56 -0.00 0.00 -0.03 0.00 0.00 54.58 53.27 2d9x n ASN 43 Cb 0.91 1.90 0.29 0.00 -0.61 0.00 0.00 39.78 42.26 2d9x n ASN 43 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2d9x h GLU 44 N 0.00 0.54 0.00 3.52 4.81 -1.94 -1.29 114.58 120.23 2d9x h GLU 44 Ca -0.19 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2d9x h GLU 44 Cb 0.86 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2d9x h GLU 44 CO 0.25 0.57 0.00 0.94 -0.73 0.00 0.00 179.01 180.05 2d9x n GLN 45 N -4.27 0.34 -1.22 1.92 7.27 -1.26 -2.45 117.38 117.71 2d9x n GLN 45 Ca 0.01 0.08 -0.13 0.00 0.07 0.00 0.00 57.00 57.04 2d9x n GLN 45 Cb 0.25 -1.50 0.13 0.00 2.41 0.00 0.00 30.24 31.53 2d9x n GLN 45 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2d9x n SER 46 N -1.18 3.71 -0.03 1.69 3.41 -0.48 -4.71 113.62 116.03 2d9x n SER 46 Ca 0.10 -3.80 -0.14 0.00 -0.26 0.00 0.00 58.87 54.77 2d9x n SER 46 Cb 0.10 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.37 2d9x n SER 46 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2d9x h ARG 47 N 1.48 0.09 0.00 4.33 2.47 -1.59 -3.05 114.38 118.10 2d9x h ARG 47 Ca 0.29 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 2d9x h ARG 47 Cb 1.44 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.77 2d9x h ARG 47 CO 0.59 0.69 0.00 0.09 0.56 0.00 0.00 179.97 181.91 2d9x n ASN 48 N -4.70 0.00 -4.92 7.04 3.02 -1.26 -4.73 115.26 109.71 2d9x n ASN 48 Ca -0.09 0.48 -0.26 0.00 -0.03 0.00 0.00 54.58 54.68 2d9x n ASN 48 Cb 0.35 -0.49 0.04 0.00 -0.61 0.00 0.00 39.78 39.07 2d9x n ASN 48 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2d9x s GLN 49 N -2.98 2.81 0.18 3.52 0.74 -1.15 -5.04 119.66 117.74 2d9x s GLN 49 Ca 0.06 -0.05 -0.30 0.00 0.05 0.00 0.00 55.36 55.12 2d9x s GLN 49 Cb 0.07 -2.26 -0.08 0.00 1.10 0.00 0.00 33.01 31.84 2d9x s GLN 49 CO 0.20 -0.78 1.18 0.21 -0.55 0.00 0.00 175.29 175.56 2d9x s LYS 50 N -5.03 4.50 0.04 1.67 2.47 -1.26 -4.98 119.74 117.16 2d9x s LYS 50 Ca 0.55 1.85 -0.31 0.00 -1.56 0.00 0.00 55.97 56.51 2d9x s LYS 50 Cb -0.11 -3.25 -0.06 0.00 -1.46 0.00 0.00 37.83 32.95 2d9x s LYS 50 CO 0.45 -0.07 1.41 -1.25 0.16 0.00 0.00 175.35 176.06 2d9x s PRO 51 N -0.26 4.29 0.42 4.03 0.04 -1.26 -4.89 135.00 137.38 2d9x s PRO 51 Ca 0.52 2.03 0.27 0.00 0.04 0.00 0.00 61.00 63.86 2d9x s PRO 51 Cb -0.32 -3.47 1.39 0.00 0.04 0.00 0.00 34.50 32.14 2d9x s PRO 51 CO 0.36 -0.54 1.61 0.00 0.04 0.00 0.00 177.00 178.48 2d9x h ARG 52 N 7.54 0.08 -1.04 4.56 2.47 -1.86 -3.44 114.38 122.70 2d9x h ARG 52 Ca -0.40 -0.00 0.35 0.00 -1.26 0.00 0.00 59.98 58.67 2d9x h ARG 52 Cb 1.19 -0.02 -0.19 0.00 -1.65 0.00 0.00 29.97 29.31 2d9x h ARG 52 CO 0.89 0.05 0.99 0.20 0.56 0.00 0.00 179.97 182.66 2d9x s GLY 53 N -4.25 -0.29 -0.02 0.04 0.00 -1.26 -5.08 107.32 96.47 2d9x s GLY 53 Ca -0.08 1.64 0.03 0.00 0.00 0.00 0.00 44.72 46.30 2d9x s GLY 53 CO 0.81 0.50 -0.10 -0.51 0.00 0.00 0.00 173.10 173.80 2d9x s THR 54 N -2.03 0.84 -0.12 0.90 -4.23 -1.26 -3.49 115.64 106.24 2d9x s THR 54 Ca 0.13 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 2d9x s THR 54 Cb 0.02 -0.73 -0.01 0.00 1.34 0.00 0.00 72.50 73.11 2d9x s THR 54 CO -0.04 0.25 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.93 2d9x s LEU 55 N 0.02 2.64 0.25 4.79 2.96 -0.17 -4.93 118.68 124.25 2d9x s LEU 55 Ca -0.00 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.26 2d9x s LEU 55 Cb -0.07 -1.59 -0.09 0.00 0.50 0.00 0.00 46.19 44.94 2d9x s LEU 55 CO 0.00 0.17 1.19 -1.10 -1.32 0.00 0.00 176.35 175.29 2d9x s GLN 56 N 0.32 4.52 -0.21 1.98 -0.21 -1.26 -1.84 119.66 122.95 2d9x s GLN 56 Ca -0.11 1.93 0.09 0.00 0.02 0.00 0.00 55.36 57.28 2d9x s GLN 56 Cb -0.16 -3.18 -0.19 0.00 1.00 0.00 0.00 33.01 30.48 2d9x s GLN 56 CO 0.06 0.00 -0.08 1.28 -2.12 0.00 0.00 175.29 174.43 2d9x n LEU 57 N 1.64 1.57 -4.41 2.90 4.77 -1.24 -4.57 117.00 117.66 2d9x n LEU 57 Ca 0.01 -0.07 -0.48 0.00 -0.03 0.00 0.00 56.01 55.44 2d9x n LEU 57 Cb 0.44 -0.22 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 2d9x n LEU 57 CO 0.56 0.69 1.97 0.00 -1.33 0.00 0.00 177.39 179.28 2d9x n ALA 58 N -2.95 0.45 -1.39 -1.18 0.00 -1.26 0.14 120.51 114.31 2d9x n ALA 58 Ca -0.36 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2d9x n ALA 58 Cb 1.02 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 6.80 0.75 4.01 0.00 0.00 -1.21 -4.53 105.19 111.00 2d9x n GLY 59 Ca 0.56 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 4.26 -0.02 4.61 0.00 0.38 -3.11 121.76 125.88 2d9x s ALA 60 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.17 2d9x s ALA 60 Cb 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.39 2d9x s ALA 60 CO 0.00 -0.90 0.00 0.08 0.00 0.00 0.00 175.76 174.94 2d9x s VAL 61 N -2.76 0.13 -0.28 0.00 1.01 -1.26 -4.92 120.40 112.33 2d9x s VAL 61 Ca 0.61 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 2d9x s VAL 61 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2d9x s VAL 61 CO 0.39 0.11 0.12 -0.63 0.00 0.00 0.00 175.10 175.10 2d9x s ILE 62 N 0.79 4.55 -0.47 2.22 1.09 -1.26 -1.20 121.20 126.93 2d9x s ILE 62 Ca -0.08 -0.26 0.04 0.00 -1.10 0.00 0.00 60.65 59.25 2d9x s ILE 62 Cb -0.11 -3.22 0.12 0.00 -1.06 0.00 0.00 42.46 38.19 2d9x s ILE 62 CO -0.02 0.20 0.21 -0.44 -0.10 0.00 0.00 174.94 174.79 2d9x s SER 63 N 1.63 4.31 -0.50 3.58 0.01 -1.04 -5.01 113.70 116.67 2d9x s SER 63 Ca 0.06 -2.75 -0.27 0.00 1.31 0.00 0.00 55.95 54.29 2d9x s SER 63 Cb -0.16 -1.53 -0.02 0.00 0.21 0.00 0.00 66.02 64.52 2d9x s SER 63 CO 0.06 -0.27 1.80 -2.16 0.41 0.00 0.00 173.24 173.07 2d9x s PRO 64 N 0.09 2.95 1.09 12.44 0.04 -1.26 -2.94 135.00 147.41 2d9x s PRO 64 Ca 0.16 0.90 -0.19 0.00 0.04 0.00 0.00 61.00 61.91 2d9x s PRO 64 Cb -0.24 -4.29 0.07 0.00 0.04 0.00 0.00 34.50 30.07 2d9x s PRO 64 CO -0.02 -2.34 -0.13 0.45 0.04 0.00 0.00 177.00 175.00 2d9x n SER 65 N 11.58 -2.47 -0.51 6.66 2.88 -1.17 -4.94 113.62 125.66 2d9x n SER 65 Ca 0.21 -0.07 0.06 0.00 -1.33 0.00 0.00 58.87 57.74 2d9x n SER 65 Cb 0.50 -0.93 0.12 0.00 -0.75 0.00 0.00 64.21 63.15 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 -1.05 1.58 0.00 -3.46 9.92 -1.26 -4.79 116.55 117.48 2d9x n ASP 66 Ca 0.01 -3.03 0.00 0.00 -0.53 0.00 0.00 54.79 51.24 2d9x n ASP 66 Cb 0.63 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 2d9x n ASP 66 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2d9x n GLU 67 N -0.84 0.00 -3.93 -1.24 4.07 -1.26 -4.94 120.64 112.50 2d9x n GLU 67 Ca 0.13 0.37 -0.32 0.00 -0.06 0.00 0.00 57.16 57.28 2d9x n GLU 67 Cb 0.74 -0.86 -0.04 0.00 -0.06 0.00 0.00 31.44 31.22 2d9x n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2d9x s ASP 68 N -2.80 6.28 0.24 4.31 1.11 -1.26 -5.00 116.67 119.54 2d9x s ASP 68 Ca 0.00 0.27 -0.10 0.00 0.18 0.00 0.00 52.55 52.89 2d9x s ASP 68 Cb 0.00 -1.93 0.34 0.00 1.07 0.00 0.00 42.92 42.41 2d9x s ASP 68 CO 0.00 0.20 1.41 -1.20 1.18 0.00 0.00 175.17 176.76 2d9x n SER 69 N 0.51 -0.42 -4.23 0.27 7.64 -1.26 -3.47 113.62 112.65 2d9x n SER 69 Ca -0.07 1.57 -0.38 0.00 1.01 0.00 0.00 58.87 61.00 2d9x n SER 69 Cb 0.52 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 63.17 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 -6.04 3.35 -0.28 1.43 3.76 -1.26 -4.66 115.29 111.58 2d9x s HIS 70 Ca -0.13 -1.69 -0.19 0.00 -0.15 0.00 0.00 55.06 52.90 2d9x s HIS 70 Cb 0.22 -2.73 0.12 0.00 1.11 0.00 0.00 32.58 31.31 2d9x s HIS 70 CO 0.69 -0.83 0.93 0.99 -0.85 0.00 0.00 174.74 175.66 2d9x s THR 71 N 1.35 0.00 0.06 1.30 2.01 -1.23 -4.42 115.64 114.71 2d9x s THR 71 Ca 0.02 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.75 2d9x s THR 71 Cb -0.22 -1.00 0.07 0.00 0.01 0.00 0.00 72.50 71.36 2d9x s THR 71 CO 0.01 0.00 0.63 0.72 -0.69 0.00 0.00 174.62 175.29 2d9x s PHE 72 N 1.04 -0.59 0.03 4.92 -0.71 -1.18 -3.02 117.98 118.47 2d9x s PHE 72 Ca -0.05 0.70 0.06 0.00 -1.04 0.00 0.00 56.93 56.59 2d9x s PHE 72 Cb -0.04 0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 2d9x s PHE 72 CO -0.13 -0.73 -0.18 0.95 -1.34 0.00 0.00 175.22 173.79 2d9x s THR 73 N -2.54 1.41 -0.34 -4.49 -4.23 -1.15 -2.86 115.64 101.43 2d9x s THR 73 Ca -0.05 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2d9x s THR 73 Cb -0.01 -1.22 0.08 0.00 1.34 0.00 0.00 72.50 72.70 2d9x s THR 73 CO -0.02 0.20 0.06 -0.69 -0.54 0.00 0.00 174.62 173.62 2d9x s VAL 74 N -0.69 2.71 1.05 2.29 1.01 -0.90 -2.48 120.40 123.39 2d9x s VAL 74 Ca 0.05 -1.93 -0.17 0.00 0.00 0.00 0.00 61.98 59.94 2d9x s VAL 74 Cb -0.08 -2.79 0.22 0.00 0.00 0.00 0.00 36.38 33.73 2d9x s VAL 74 CO 0.01 -0.42 1.21 0.20 0.00 0.00 0.00 175.10 176.10 2d9x s ASN 75 N 1.28 2.32 -0.08 3.32 0.01 -0.34 -1.45 114.94 119.99 2d9x s ASN 75 Ca 0.03 0.50 -0.04 0.00 -0.71 0.00 0.00 52.86 52.65 2d9x s ASN 75 Cb -0.20 -0.70 0.04 0.00 0.41 0.00 0.00 41.25 40.80 2d9x s ASN 75 CO -0.05 -3.25 0.18 0.00 -1.51 0.00 0.00 177.10 172.47 2d9x s ALA 76 N -3.46 -0.38 0.17 0.60 0.00 0.20 -4.07 121.76 114.82 2d9x s ALA 76 Ca 0.71 0.76 -0.15 0.00 0.00 0.00 0.00 51.96 53.28 2d9x s ALA 76 Cb -0.08 -0.49 0.15 0.00 0.00 0.00 0.00 23.12 22.71 2d9x s ALA 76 CO 0.54 -0.16 1.20 0.00 0.00 0.00 0.00 175.76 177.34 2d9x n ALA 77 N 4.07 -0.15 0.01 0.00 0.00 -1.18 -0.33 120.51 122.93 2d9x n ALA 77 Ca -0.25 0.75 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 2d9x n ALA 77 Cb 0.53 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 2d9x n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2d9x h SER 78 N 0.00 -1.49 0.00 0.00 0.02 -1.91 -3.46 113.55 106.71 2d9x h SER 78 Ca 0.25 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 2d9x h SER 78 Cb 0.44 0.58 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2d9x h SER 78 CO -0.76 -0.43 0.00 0.61 -1.14 0.00 0.00 176.83 175.11 2d9x n GLY 79 N -1.38 -0.84 3.28 -3.77 0.00 0.55 -5.18 105.19 97.85 2d9x n GLY 79 Ca -0.06 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 0.45 0.08 1.61 2.12 -1.23 -4.96 118.70 116.78 2d9x s GLU 80 Ca 0.00 0.54 0.07 0.00 0.36 0.00 0.00 54.97 55.94 2d9x s GLU 80 Cb 0.00 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 2d9x s GLU 80 CO 0.00 -0.06 -0.13 -1.14 -0.54 0.00 0.00 175.26 173.39 2d9x s GLN 81 N 0.22 2.09 -0.15 4.30 0.74 -1.26 -0.63 119.66 124.96 2d9x s GLN 81 Ca -0.00 -1.02 0.01 0.00 0.05 0.00 0.00 55.36 54.40 2d9x s GLN 81 Cb -0.03 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 31.83 2d9x s GLN 81 CO 0.00 0.52 -0.18 0.71 -0.55 0.00 0.00 175.29 175.80 2d9x s TYR 82 N -1.11 2.75 -0.55 1.67 1.51 -0.53 -4.92 117.35 116.16 2d9x s TYR 82 Ca 0.19 -1.20 -0.20 0.00 -1.01 0.00 0.00 57.07 54.85 2d9x s TYR 82 Cb -0.11 -1.87 0.07 0.00 -0.11 0.00 0.00 41.96 39.94 2d9x s TYR 82 CO 0.10 -0.56 0.71 0.21 -1.11 0.00 0.00 175.55 174.91 2d9x s LYS 83 N 0.89 3.12 0.31 -0.62 2.20 -1.26 -2.12 119.74 122.26 2d9x s LYS 83 Ca -0.04 -0.94 0.06 0.00 -0.36 0.00 0.00 55.97 54.68 2d9x s LYS 83 Cb -0.15 -4.15 -0.06 0.00 -1.51 0.00 0.00 37.83 31.95 2d9x s LYS 83 CO -0.02 -1.40 -0.03 -0.51 -0.36 0.00 0.00 175.35 173.03 2d9x s LEU 84 N 2.92 2.49 -0.08 5.43 1.43 -1.14 -3.39 118.68 126.34 2d9x s LEU 84 Ca 0.16 -1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 51.97 2d9x s LEU 84 Cb -0.20 -0.65 0.04 0.00 0.03 0.00 0.00 46.19 45.42 2d9x s LEU 84 CO 0.11 -0.40 0.16 -0.60 0.23 0.00 0.00 176.35 175.85 2d9x s ARG 85 N -3.75 0.07 0.76 1.70 3.52 -0.99 -3.08 118.95 117.17 2d9x s ARG 85 Ca 0.32 0.49 -0.11 0.00 -0.13 0.00 0.00 55.73 56.30 2d9x s ARG 85 Cb 0.06 -0.22 0.05 0.00 -1.56 0.00 0.00 34.95 33.27 2d9x s ARG 85 CO 0.14 -0.24 1.09 0.00 -0.81 0.00 0.00 175.30 175.48 2d9x s ALA 86 N 1.81 2.28 0.28 6.12 0.00 -1.26 -2.76 121.76 128.23 2d9x s ALA 86 Ca -0.02 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.33 2d9x s ALA 86 Cb -0.12 -3.28 0.41 0.00 0.00 0.00 0.00 23.12 20.13 2d9x s ALA 86 CO -0.06 -1.70 1.66 0.00 0.00 0.00 0.00 175.76 175.65 2d9x h THR 87 N -0.95 1.36 -3.03 0.00 1.03 -1.94 -3.46 112.91 105.93 2d9x h THR 87 Ca -0.44 -1.77 -0.08 0.00 -0.01 0.00 0.00 66.41 64.11 2d9x h THR 87 Cb 1.23 1.89 -0.17 0.00 -1.07 0.00 0.00 68.15 70.04 2d9x h THR 87 CO 0.52 0.52 -0.13 -1.81 -0.01 0.00 0.00 175.52 174.61 2d9x s ASP 88 N -6.88 -0.27 0.55 0.00 1.11 -1.26 -5.01 116.67 104.90 2d9x s ASP 88 Ca -0.03 0.01 0.40 0.00 0.18 0.00 0.00 52.55 53.10 2d9x s ASP 88 Cb 0.13 0.41 1.60 0.00 1.07 0.00 0.00 42.92 46.13 2d9x s ASP 88 CO 0.77 -0.64 1.75 0.00 1.18 0.00 0.00 175.17 178.23 2d9x h ALA 89 N 3.11 3.30 0.08 5.23 0.00 -1.89 0.13 119.26 129.23 2d9x h ALA 89 Ca -0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2d9x h ALA 89 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2d9x h ALA 89 CO 0.43 -1.70 -0.04 0.87 0.00 0.00 0.00 179.25 178.82 2d9x h LYS 90 N 0.00 -0.11 -0.82 0.00 1.57 -1.95 -3.27 116.57 111.99 2d9x h LYS 90 Ca 0.65 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.56 2d9x h LYS 90 Cb 2.63 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 34.88 2d9x h LYS 90 CO -0.01 0.42 0.44 1.49 -0.57 0.00 0.00 179.45 181.22 2d9x h GLU 91 N -0.75 0.67 -0.20 3.15 4.57 -1.18 -2.78 114.58 118.06 2d9x h GLU 91 Ca -0.01 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2d9x h GLU 91 Cb 0.58 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 2d9x h GLU 91 CO 0.02 0.44 -0.32 -0.09 -1.18 0.00 0.00 179.01 177.88 2d9x h ARG 92 N 0.69 -0.24 -0.79 1.92 2.43 -1.37 -1.47 114.38 115.54 2d9x h ARG 92 Ca 0.42 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.75 2d9x h ARG 92 Cb 0.49 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 29.96 2d9x h ARG 92 CO -0.30 -0.16 -0.29 1.96 -1.51 0.00 0.00 179.97 179.67 2d9x h GLN 93 N -0.25 -0.05 -0.08 0.20 1.08 -1.55 -0.05 115.11 114.40 2d9x h GLN 93 Ca 0.04 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 2d9x h GLN 93 Cb 0.35 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2d9x h GLN 93 CO -0.32 -0.03 -0.29 1.25 -0.95 0.00 0.00 178.83 178.49 2d9x h HIS 94 N -0.05 -0.86 0.03 2.96 2.76 -1.21 0.14 115.15 118.91 2d9x h HIS 94 Ca 0.33 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.55 2d9x h HIS 94 Cb 0.59 0.38 -0.04 0.00 1.55 0.00 0.00 27.41 29.89 2d9x h HIS 94 CO -0.70 -0.29 -0.41 -1.49 -1.30 0.00 0.00 177.93 173.74 2d9x h TRP 95 N -0.30 -1.21 -0.86 5.26 4.06 -0.41 0.23 115.95 122.72 2d9x h TRP 95 Ca 0.02 0.04 0.14 0.00 2.06 0.00 0.00 58.89 61.15 2d9x h TRP 95 Cb 0.35 0.52 -0.15 0.00 -1.00 0.00 0.00 29.16 28.89 2d9x h TRP 95 CO -0.53 -0.45 -0.35 0.28 -3.56 0.00 0.00 178.44 173.83 2d9x h VAL 96 N -0.54 0.07 0.33 1.49 2.07 -0.86 0.10 116.25 118.91 2d9x h VAL 96 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2d9x h VAL 96 Cb 0.57 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2d9x h VAL 96 CO -0.26 0.00 -0.16 -1.28 0.02 0.00 0.00 177.57 175.89 2d9x h SER 97 N -0.05 -0.37 -0.90 0.57 0.87 -0.19 0.19 113.55 113.66 2d9x h SER 97 Ca 0.32 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 61.03 2d9x h SER 97 Cb 0.59 0.10 -0.14 0.00 -0.44 0.00 0.00 62.40 62.51 2d9x h SER 97 CO -0.88 -0.26 -0.37 0.54 -0.53 0.00 0.00 176.83 175.32 2d9x n ARG 98 N -3.23 -0.23 0.15 2.24 5.12 0.74 -0.17 116.66 121.29 2d9x n ARG 98 Ca -0.05 1.38 -0.14 0.00 -1.93 0.00 0.00 57.85 57.11 2d9x n ARG 98 Cb 0.17 -2.05 -0.07 0.00 -1.16 0.00 0.00 32.46 29.35 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 -0.39 -1.93 0.55 3.38 -0.80 -1.30 115.31 114.82 2d9x h LEU 99 Ca 0.29 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.57 2d9x h LEU 99 Cb 0.52 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2d9x h LEU 99 CO -0.89 -0.24 0.76 1.56 0.09 0.00 0.00 178.44 179.71 2d9x h GLN 100 N -0.37 0.00 0.19 1.13 4.20 0.16 0.39 115.11 120.80 2d9x h GLN 100 Ca -0.02 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 2d9x h GLN 100 Cb 0.32 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.12 2d9x h GLN 100 CO 0.01 0.00 -1.48 0.82 -0.67 0.00 0.00 178.83 177.51 2d9x h ILE 101 N 0.00 1.26 0.14 2.54 2.04 -0.15 -3.27 117.51 120.06 2d9x h ILE 101 Ca 0.46 -2.78 -0.01 0.00 1.00 0.00 0.00 64.86 63.53 2d9x h ILE 101 Cb 1.96 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.97 2d9x h ILE 101 CO -0.00 0.84 -0.07 0.00 0.00 0.00 0.00 178.15 178.92 2d9x h THR 103 N -0.61 0.52 0.00 0.00 1.03 -1.00 -0.00 112.91 112.84 2d9x h THR 103 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 2d9x h THR 103 Cb 0.47 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.57 2d9x h THR 103 CO 0.03 0.08 -0.23 1.56 -0.01 0.00 0.00 175.52 176.96 2d9x h GLN 104 N 0.45 0.00 -0.93 0.00 1.08 -1.59 -2.31 115.11 111.81 2d9x h GLN 104 Ca 0.62 0.00 0.27 0.00 -1.45 0.00 0.00 58.65 58.09 2d9x h GLN 104 Cb 1.44 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.83 2d9x h GLN 104 CO -0.36 0.00 1.08 1.25 -0.95 0.00 0.00 178.83 179.84 2d9x h HIS 105 N -0.96 0.00 0.00 2.96 2.76 -0.08 0.18 115.15 120.00 2d9x h HIS 105 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2d9x h HIS 105 Cb 0.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2d9x h HIS 105 CO -0.10 0.00 -0.48 0.72 -1.30 0.00 0.00 177.93 176.77 2d9x n HIS 106 N -3.34 0.60 -0.36 5.26 8.25 -0.04 -4.32 115.22 121.28 2d9x n HIS 106 Ca 0.21 0.26 0.27 0.00 -0.26 0.00 0.00 57.72 58.20 2d9x n HIS 106 Cb 1.37 -0.62 0.54 0.00 1.12 0.00 0.00 29.99 32.40 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 -0.80 0.35 -0.39 1.59 1.03 -0.64 0.32 112.91 114.36 2d9x h THR 107 Ca 0.00 -0.10 0.08 0.00 -0.01 0.00 0.00 66.41 66.38 2d9x h THR 107 Cb 0.48 0.03 -0.09 0.00 -1.07 0.00 0.00 68.15 67.50 2d9x h THR 107 CO 0.00 0.05 -0.25 -0.08 -0.01 0.00 0.00 175.52 175.23 2d9x h GLU 108 N 0.29 -0.18 -1.24 0.00 4.22 -0.90 0.35 114.58 117.11 2d9x h GLU 108 Ca 0.70 0.01 0.45 0.00 0.08 0.00 0.00 59.36 60.61 2d9x h GLU 108 Cb 1.86 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 31.00 2d9x h GLU 108 CO -0.42 -0.12 0.76 0.00 -2.18 0.00 0.00 179.01 177.06 2d9x n ALA 109 N -2.93 1.24 -1.87 2.92 0.00 0.10 -4.05 120.51 115.92 2d9x n ALA 109 Ca 0.02 0.91 -0.40 0.00 0.00 0.00 0.00 53.44 53.96 2d9x n ALA 109 Cb 0.31 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2d9x n ALA 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2d9x s ILE 110 N -5.31 3.28 -0.47 0.00 1.01 0.11 -4.88 121.20 114.95 2d9x s ILE 110 Ca -0.08 0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.87 2d9x s ILE 110 Cb 0.31 -3.54 0.24 0.00 0.01 0.00 0.00 42.46 39.48 2d9x s ILE 110 CO 0.80 -0.46 0.56 0.61 0.00 0.00 0.00 174.94 176.45 2d9x n GLY 111 N 5.69 3.32 3.11 6.18 0.00 -1.26 -5.06 105.19 117.17 2d9x n GLY 111 Ca 0.26 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 2d9x n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9x s LYS 112 N -1.40 0.41 -0.68 1.61 -2.85 -1.26 -5.11 119.74 110.46 2d9x s LYS 112 Ca 0.36 -0.11 -0.03 0.00 -1.00 0.00 0.00 55.97 55.19 2d9x s LYS 112 Cb 0.15 0.18 0.17 0.00 -2.06 0.00 0.00 37.83 36.27 2d9x s LYS 112 CO -0.10 -0.09 0.51 0.54 0.10 0.00 0.00 175.35 176.31 2d9x s ASN 113 N -0.80 5.37 -0.18 0.03 4.22 -1.26 -5.02 114.94 117.30 2d9x s ASN 113 Ca -0.09 -3.03 -0.04 0.00 -2.14 0.00 0.00 52.86 47.57 2d9x s ASN 113 Cb -0.05 -1.87 0.06 0.00 1.28 0.00 0.00 41.25 40.67 2d9x s ASN 113 CO 0.01 -0.33 0.05 0.20 -2.04 0.00 0.00 177.10 175.00 2d9x s ASN 114 N 0.51 2.65 0.45 3.54 -0.87 -1.26 -5.14 114.94 114.82 2d9x s ASN 114 Ca 0.19 -0.72 0.03 0.00 -1.57 0.00 0.00 52.86 50.79 2d9x s ASN 114 Cb -0.18 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.25 40.57 2d9x s ASN 114 CO -0.05 -0.32 0.07 -0.44 -2.57 0.00 0.00 177.10 173.79 2d9x s SER 115 N 1.97 3.40 -0.25 -1.22 0.01 -1.26 -5.17 113.70 111.18 2d9x s SER 115 Ca 0.00 -1.64 -0.28 0.00 1.31 0.00 0.00 55.95 55.34 2d9x s SER 115 Cb -0.17 0.44 0.17 0.00 0.21 0.00 0.00 66.02 66.67 2d9x s SER 115 CO -0.08 -0.86 1.23 -0.83 0.41 0.00 0.00 173.24 173.11 2d9x s GLY 116 N -3.72 0.00 0.27 3.44 0.00 -1.26 -5.15 107.32 100.90 2d9x s GLY 116 Ca 0.17 2.70 -0.29 0.00 0.00 0.00 0.00 44.72 47.30 2d9x s GLY 116 CO 0.10 1.31 1.25 2.56 0.00 0.00 0.00 173.10 178.32 2d9x s PRO 117 N -0.73 4.44 0.05 2.90 0.04 -1.26 -4.96 135.00 135.49 2d9x s PRO 117 Ca 0.05 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 2d9x s PRO 117 Cb -0.02 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 2d9x s PRO 117 CO -0.06 -0.11 -0.05 0.43 0.04 0.00 0.00 177.00 177.25 2d9x n SER 118 N 1.55 1.19 -2.78 6.66 7.64 -1.26 -5.05 113.62 121.57 2d9x n SER 118 Ca 0.02 0.16 -0.16 0.00 1.01 0.00 0.00 58.87 59.90 2d9x n SER 118 Cb 0.43 -0.38 0.06 0.00 -1.01 0.00 0.00 64.21 63.31 2d9x n SER 118 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d9x n SER 119 N -3.61 -4.14 0.00 6.43 2.88 -1.26 -5.39 113.62 108.52 2d9x n SER 119 Ca -0.02 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 2d9x n SER 119 Cb 0.10 -3.85 0.00 0.00 -0.75 0.00 0.00 64.21 59.71 2d9x n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42