#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9x s SER 2 N 0.00 6.99 -0.86 1.61 0.15 -1.26 -5.01 113.70 115.33 2d9x s SER 2 Ca 0.00 1.18 -0.23 0.00 0.70 0.00 0.00 55.95 57.60 2d9x s SER 2 Cb 0.00 -2.38 0.06 0.00 -1.71 0.00 0.00 66.02 61.99 2d9x s SER 2 CO 0.00 0.04 1.26 -0.55 1.20 0.00 0.00 173.24 175.18 2d9x s SER 3 N 0.09 6.37 0.00 5.45 0.15 -1.26 -4.89 113.70 119.60 2d9x s SER 3 Ca 0.33 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2d9x s SER 3 Cb -0.18 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2d9x s SER 3 CO 0.18 -1.51 0.00 0.61 1.20 0.00 0.00 173.24 173.72 2d9x n GLY 4 N 5.93 5.18 4.02 9.45 0.00 -1.26 -4.96 105.19 123.55 2d9x n GLY 4 Ca 0.16 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 2d9x n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d9x n SER 5 N 0.00 -1.42 -0.08 1.61 3.41 -1.26 -4.89 113.62 110.99 2d9x n SER 5 Ca 0.00 -0.99 -0.09 0.00 -0.26 0.00 0.00 58.87 57.52 2d9x n SER 5 Cb 0.00 -3.03 -0.05 0.00 -0.26 0.00 0.00 64.21 60.87 2d9x n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2d9x h SER 6 N -1.77 0.00 -3.79 4.04 0.87 -2.01 -3.50 113.55 107.40 2d9x h SER 6 Ca -0.62 -0.23 -0.29 0.00 -1.23 0.00 0.00 61.79 59.42 2d9x h SER 6 Cb 1.38 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.26 2d9x h SER 6 CO 0.67 0.94 -0.27 0.61 -0.53 0.00 0.00 176.83 178.25 2d9x n GLY 7 N 1.59 3.05 3.82 5.77 0.00 -1.26 -5.18 105.19 112.98 2d9x n GLY 7 Ca -0.13 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.84 2.23 0.19 1.61 8.01 -1.26 -5.07 118.70 121.58 2d9x s GLU 8 Ca 0.26 -2.11 -0.21 0.00 0.01 0.00 0.00 54.97 52.92 2d9x s GLU 8 Cb 0.01 -1.89 -0.13 0.00 -4.31 0.00 0.00 34.13 27.81 2d9x s GLU 8 CO 0.18 -0.43 0.34 0.09 0.01 0.00 0.00 175.26 175.45 2d9x n ASN 9 N -1.49 -1.26 -4.40 -0.19 3.02 -1.26 -4.91 115.26 104.76 2d9x n ASN 9 Ca -0.07 0.84 -0.36 0.00 -0.03 0.00 0.00 54.58 54.96 2d9x n ASN 9 Cb 0.65 -0.74 -0.13 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.90 3.92 0.19 2.41 1.01 -1.26 -4.97 120.40 120.80 2d9x s VAL 10 Ca 0.50 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.19 2d9x s VAL 10 Cb -0.69 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2d9x s VAL 10 CO 0.45 0.39 -0.01 -0.72 0.00 0.00 0.00 175.10 175.22 2d9x s TYR 11 N 1.42 1.30 0.00 5.22 -0.85 -1.26 -0.34 117.35 122.84 2d9x s TYR 11 Ca 0.05 -0.98 0.00 0.00 -0.52 0.00 0.00 57.07 55.62 2d9x s TYR 11 Cb -0.15 -0.74 0.00 0.00 0.38 0.00 0.00 41.96 41.46 2d9x s TYR 11 CO 0.01 -0.15 0.00 0.41 -1.52 0.00 0.00 175.55 174.30 2d9x n GLY 12 N -0.28 2.26 3.58 5.49 0.00 -0.93 -5.01 105.19 110.30 2d9x n GLY 12 Ca -0.06 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 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 2.97 0.33 1.61 1.51 -1.26 -2.07 117.35 118.44 2d9x s TYR 13 Ca 0.00 0.53 0.09 0.00 -1.01 0.00 0.00 57.07 56.68 2d9x s TYR 13 Cb 0.00 -3.88 -0.05 0.00 -0.11 0.00 0.00 41.96 37.92 2d9x s TYR 13 CO 0.00 -1.01 -0.02 -0.51 -1.11 0.00 0.00 175.55 172.90 2d9x s LEU 14 N 3.69 2.95 -0.25 -1.29 1.43 -0.72 -4.39 118.68 120.10 2d9x s LEU 14 Ca 0.38 -0.97 -0.09 0.00 -1.03 0.00 0.00 54.13 52.42 2d9x s LEU 14 Cb -0.11 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2d9x s LEU 14 CO 0.24 -0.18 0.12 -0.04 0.23 0.00 0.00 176.35 176.72 2d9x s MET 15 N -3.68 3.85 -0.08 1.70 -1.94 -1.07 -0.79 119.30 117.29 2d9x s MET 15 Ca 0.34 -0.38 -0.01 0.00 -1.71 0.00 0.00 55.69 53.93 2d9x s MET 15 Cb -0.01 -3.46 -0.03 0.00 2.01 0.00 0.00 34.83 33.34 2d9x s MET 15 CO 0.19 -0.10 -0.03 0.21 -0.01 0.00 0.00 175.02 175.28 2d9x s LYS 16 N 1.45 2.88 -0.25 2.03 2.20 -0.49 -2.25 119.74 125.31 2d9x s LYS 16 Ca 0.06 -0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 2d9x s LYS 16 Cb -0.15 -2.71 -0.00 0.00 -1.51 0.00 0.00 37.83 33.46 2d9x s LYS 16 CO 0.06 0.69 1.24 -0.47 -0.36 0.00 0.00 175.35 176.51 2d9x s TYR 17 N -0.86 2.84 -0.26 4.03 5.04 -1.14 -2.08 117.35 124.93 2d9x s TYR 17 Ca 0.13 1.00 -0.05 0.00 -2.44 0.00 0.00 57.07 55.70 2d9x s TYR 17 Cb -0.11 -3.70 -0.16 0.00 0.35 0.00 0.00 41.96 38.34 2d9x s TYR 17 CO 0.02 -1.51 -0.23 -2.37 -1.34 0.00 0.00 175.55 170.13 2d9x n THR 18 N 5.82 1.52 -3.78 4.34 5.66 -1.25 -4.99 114.28 121.61 2d9x n THR 18 Ca 0.14 -0.49 -0.09 0.00 -3.05 0.00 0.00 64.05 60.57 2d9x n THR 18 Cb 0.46 -1.63 0.03 0.00 -1.55 0.00 0.00 70.33 67.63 2d9x n THR 18 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2d9x n ASN 19 N -3.69 -2.25 0.17 1.09 4.13 -1.26 -5.03 115.26 108.43 2d9x n ASN 19 Ca -0.48 -2.55 -0.09 0.00 1.68 0.00 0.00 54.58 53.14 2d9x n ASN 19 Cb 0.94 3.75 -0.05 0.00 -1.54 0.00 0.00 39.78 42.88 2d9x n ASN 19 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2d9x h LEU 20 N 0.00 -0.43 -0.23 3.41 6.46 -1.98 0.14 115.31 122.67 2d9x h LEU 20 Ca -0.33 -0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.44 2d9x h LEU 20 Cb 1.21 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 41.19 2d9x h LEU 20 CO 0.42 0.01 -0.26 1.62 -0.62 0.00 0.00 178.44 179.61 2d9x h VAL 21 N -1.09 0.37 -0.01 1.05 3.04 -2.03 -0.92 116.25 116.66 2d9x h VAL 21 Ca -0.05 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.55 2d9x h VAL 21 Cb 0.46 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 2d9x h VAL 21 CO 0.09 0.00 -0.40 0.74 -1.01 0.00 0.00 177.57 176.98 2d9x h THR 22 N -0.27 1.29 0.00 3.17 2.02 -1.98 -3.46 112.91 113.68 2d9x h THR 22 Ca 0.13 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2d9x h THR 22 Cb 0.47 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2d9x h THR 22 CO -0.39 0.40 0.00 0.61 0.37 0.00 0.00 175.52 176.51 2d9x n GLY 23 N -0.36 1.20 3.24 2.16 0.00 0.49 -4.68 105.19 107.25 2d9x n GLY 23 Ca -0.02 0.42 -0.17 0.00 0.00 0.00 0.00 46.02 46.26 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 1.33 -0.08 1.61 0.52 -1.26 -3.78 118.94 117.27 2d9x s TRP 24 Ca 0.00 -0.60 -0.04 0.00 0.02 0.00 0.00 56.10 55.48 2d9x s TRP 24 Cb 0.00 -0.69 0.04 0.00 -1.15 0.00 0.00 33.47 31.67 2d9x s TRP 24 CO 0.00 0.12 0.19 -0.65 0.02 0.00 0.00 176.95 176.63 2d9x s GLN 25 N -2.90 0.12 0.40 4.98 -0.21 -0.88 -4.93 119.66 116.24 2d9x s GLN 25 Ca 0.10 0.47 -0.26 0.00 0.02 0.00 0.00 55.36 55.69 2d9x s GLN 25 Cb -0.03 -0.16 -0.09 0.00 1.00 0.00 0.00 33.01 33.73 2d9x s GLN 25 CO 0.02 -0.19 1.23 0.71 -2.12 0.00 0.00 175.29 174.95 2d9x s TYR 26 N 1.44 2.96 0.38 0.91 2.02 -1.26 -1.39 117.35 122.41 2d9x s TYR 26 Ca -0.07 1.49 -0.11 0.00 -0.37 0.00 0.00 57.07 58.01 2d9x s TYR 26 Cb -0.11 -3.53 0.04 0.00 -0.40 0.00 0.00 41.96 37.96 2d9x s TYR 26 CO -0.07 -1.68 0.70 0.54 -1.57 0.00 0.00 175.55 173.47 2d9x n ARG 27 N 0.15 1.01 -4.56 -0.62 1.74 0.03 -4.92 116.66 109.49 2d9x n ARG 27 Ca 0.04 -2.41 -0.33 0.00 -0.77 0.00 0.00 57.85 54.38 2d9x n ARG 27 Cb 0.45 2.76 -0.11 0.00 -1.02 0.00 0.00 32.46 34.54 2d9x n ARG 27 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2d9x s PHE 28 N -2.41 2.89 0.05 -1.55 5.36 -1.11 -1.75 117.98 119.46 2d9x s PHE 28 Ca 0.20 -0.03 0.03 0.00 -0.96 0.00 0.00 56.93 56.18 2d9x s PHE 28 Cb -0.04 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 40.97 2d9x s PHE 28 CO 0.15 0.34 -0.10 -0.06 -1.46 0.00 0.00 175.22 174.08 2d9x s PHE 29 N -0.90 0.88 -0.24 10.12 0.40 -0.88 -1.85 117.98 125.53 2d9x s PHE 29 Ca 0.15 -0.48 -0.03 0.00 -0.60 0.00 0.00 56.93 55.96 2d9x s PHE 29 Cb -0.11 -0.51 0.10 0.00 0.51 0.00 0.00 43.02 43.01 2d9x s PHE 29 CO 0.04 -0.03 0.23 0.08 0.70 0.00 0.00 175.22 176.24 2d9x s VAL 30 N -1.34 -0.31 0.54 -0.44 1.01 -1.19 -2.18 120.40 116.49 2d9x s VAL 30 Ca -0.07 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 2d9x s VAL 30 Cb -0.10 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 2d9x s VAL 30 CO 0.01 -0.34 1.12 -0.22 0.00 0.00 0.00 175.10 175.67 2d9x s LEU 31 N 2.30 3.74 -0.16 3.92 2.96 0.54 -3.87 118.68 128.11 2d9x s LEU 31 Ca 0.08 2.14 -0.01 0.00 -0.22 0.00 0.00 54.13 56.12 2d9x s LEU 31 Cb -0.15 -4.58 -0.01 0.00 0.50 0.00 0.00 46.19 41.95 2d9x s LEU 31 CO -0.21 -1.19 -0.12 0.20 -1.32 0.00 0.00 176.35 173.71 2d9x s ASN 32 N -1.83 3.88 -0.02 3.68 -0.87 -1.11 -4.24 114.94 114.43 2d9x s ASN 32 Ca 0.72 -0.42 0.22 0.00 -1.57 0.00 0.00 52.86 51.81 2d9x s ASN 32 Cb -0.23 -1.61 -0.32 0.00 -0.02 0.00 0.00 41.25 39.07 2d9x s ASN 32 CO 0.27 0.08 0.49 -3.20 -2.57 0.00 0.00 177.10 172.17 2d9x n ASN 33 N 4.08 0.05 0.06 -1.22 5.15 -1.26 -2.35 115.26 119.78 2d9x n ASN 33 Ca -0.19 0.02 -0.22 0.00 -0.60 0.00 0.00 54.58 53.60 2d9x n ASN 33 Cb 0.52 1.86 -0.15 0.00 -0.53 0.00 0.00 39.78 41.48 2d9x n ASN 33 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2d9x h GLU 34 N 0.00 0.35 0.01 1.20 4.57 -1.99 -3.40 114.58 115.32 2d9x h GLU 34 Ca -0.03 -0.60 -0.41 0.00 -1.18 0.00 0.00 59.36 57.15 2d9x h GLU 34 Cb 1.06 0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 29.81 2d9x h GLU 34 CO 0.00 1.29 -2.43 0.00 -1.18 0.00 0.00 179.01 176.69 2d9x n ALA 35 N -2.76 1.30 -0.49 2.92 0.00 -1.26 -5.04 120.51 115.17 2d9x n ALA 35 Ca -0.18 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2d9x n ALA 35 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 1.87 1.27 3.24 0.00 0.00 -0.99 -5.04 105.19 105.54 2d9x n GLY 36 Ca -0.48 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.12 2.03 -0.36 0.99 1.43 -1.25 -3.27 118.68 118.12 2d9x s LEU 37 Ca 0.00 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 2d9x s LEU 37 Cb 0.00 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2d9x s LEU 37 CO 0.00 0.25 0.25 -0.22 0.23 0.00 0.00 176.35 176.87 2d9x s LEU 38 N -0.38 4.71 0.51 1.79 2.96 -0.35 -2.74 118.68 125.18 2d9x s LEU 38 Ca 0.04 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.35 2d9x s LEU 38 Cb -0.10 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.47 2d9x s LEU 38 CO 0.00 -0.32 0.21 -1.61 -1.32 0.00 0.00 176.35 173.32 2d9x s GLU 39 N 1.68 2.23 -0.28 1.98 2.02 -1.25 -0.75 118.70 124.33 2d9x s GLU 39 Ca 0.05 -2.14 -0.17 0.00 0.02 0.00 0.00 54.97 52.74 2d9x s GLU 39 Cb -0.18 -1.86 0.08 0.00 0.10 0.00 0.00 34.13 32.27 2d9x s GLU 39 CO 0.10 -0.44 0.71 1.52 0.02 0.00 0.00 175.26 177.17 2d9x s TYR 40 N -2.78 -1.03 -0.02 1.61 -0.85 -1.13 -3.20 117.35 109.95 2d9x s TYR 40 Ca 0.24 2.07 0.08 0.00 -0.52 0.00 0.00 57.07 58.94 2d9x s TYR 40 Cb 0.00 0.60 -0.02 0.00 0.38 0.00 0.00 41.96 42.93 2d9x s TYR 40 CO 0.14 -0.51 -0.25 -0.06 -1.52 0.00 0.00 175.55 173.35 2d9x s PHE 41 N 1.55 2.36 0.42 -3.49 0.40 -0.77 -2.83 117.98 115.62 2d9x s PHE 41 Ca -0.09 -0.43 0.37 0.00 -0.60 0.00 0.00 56.93 56.17 2d9x s PHE 41 Cb -0.05 -1.51 1.32 0.00 0.51 0.00 0.00 43.02 43.29 2d9x s PHE 41 CO -0.19 -0.03 1.22 0.28 0.70 0.00 0.00 175.22 177.20 2d9x n VAL 42 N 2.45 -0.04 -3.59 -0.44 0.31 -1.26 -2.76 118.33 113.00 2d9x n VAL 42 Ca -0.16 1.21 -0.05 0.00 -0.01 0.00 0.00 64.34 65.33 2d9x n VAL 42 Cb 0.51 -2.01 -0.02 0.00 -0.91 0.00 0.00 33.84 31.41 2d9x n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2d9x s ASN 43 N -3.98 -0.24 0.20 4.52 6.03 -1.26 -4.26 114.94 115.94 2d9x s ASN 43 Ca -0.04 -0.09 -0.21 0.00 -1.03 0.00 0.00 52.86 51.49 2d9x s ASN 43 Cb 0.22 0.33 0.14 0.00 -3.03 0.00 0.00 41.25 38.90 2d9x s ASN 43 CO 0.69 -0.55 1.57 -0.08 -2.03 0.00 0.00 177.10 176.70 2d9x h GLU 44 N 2.00 -0.12 -0.89 3.55 4.81 -1.94 0.29 114.58 122.28 2d9x h GLU 44 Ca -0.20 0.01 0.36 0.00 -0.13 0.00 0.00 59.36 59.40 2d9x h GLU 44 Cb 1.22 0.03 -0.16 0.00 0.63 0.00 0.00 28.75 30.46 2d9x h GLU 44 CO 0.28 -0.08 0.44 1.04 -0.73 0.00 0.00 179.01 179.96 2d9x n GLN 45 N -5.44 -0.05 -0.77 1.92 3.00 -1.26 -0.19 117.38 114.59 2d9x n GLN 45 Ca 0.06 1.23 -0.08 0.00 -0.01 0.00 0.00 57.00 58.20 2d9x n GLN 45 Cb 0.37 -2.19 -0.11 0.00 0.00 0.00 0.00 30.24 28.30 2d9x n GLN 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2d9x n SER 46 N -5.03 4.63 -0.06 1.08 7.64 0.10 -4.27 113.62 117.72 2d9x n SER 46 Ca 0.33 -2.33 -0.02 0.00 1.01 0.00 0.00 58.87 57.85 2d9x n SER 46 Cb 1.11 -1.18 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 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 2.85 0.00 -0.61 1.43 2.47 -0.75 -3.39 114.38 116.38 2d9x h ARG 47 Ca 0.12 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 2d9x h ARG 47 Cb 1.22 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.51 2d9x h ARG 47 CO 0.20 0.00 0.13 -0.97 0.56 0.00 0.00 179.97 179.88 2d9x h ASN 48 N -0.97 0.94 -3.10 7.04 -0.73 -1.85 -3.45 115.58 113.47 2d9x h ASN 48 Ca 0.00 -0.24 -0.47 0.00 1.87 0.00 0.00 56.30 57.45 2d9x h ASN 48 Cb 0.26 -0.25 0.22 0.00 0.27 0.00 0.00 38.32 38.82 2d9x h ASN 48 CO 0.00 0.94 -0.43 1.67 -0.37 0.00 0.00 177.43 179.24 2d9x n GLN 49 N -4.32 -1.55 -2.11 6.67 -0.06 -1.26 -4.90 117.38 109.84 2d9x n GLN 49 Ca 0.03 -0.42 -0.41 0.00 -2.00 0.00 0.00 57.00 54.20 2d9x n GLN 49 Cb 0.26 -1.99 -0.02 0.00 -4.06 0.00 0.00 30.24 24.42 2d9x n GLN 49 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2d9x s LYS 50 N -3.99 4.34 0.20 3.69 2.47 -1.26 -4.97 119.74 120.22 2d9x s LYS 50 Ca 0.62 2.19 -0.30 0.00 -1.56 0.00 0.00 55.97 56.93 2d9x s LYS 50 Cb -0.20 -3.12 -0.09 0.00 -1.46 0.00 0.00 37.83 32.96 2d9x s LYS 50 CO 0.65 -0.28 1.30 -1.25 0.16 0.00 0.00 175.35 175.93 2d9x s PRO 51 N -0.81 4.40 0.24 4.03 0.04 -1.26 -4.93 135.00 136.70 2d9x s PRO 51 Ca 0.55 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.58 2d9x s PRO 51 Cb -0.39 -3.19 0.41 0.00 0.04 0.00 0.00 34.50 31.36 2d9x s PRO 51 CO 0.45 -0.24 1.76 0.00 0.04 0.00 0.00 177.00 179.01 2d9x h ARG 52 N 5.30 0.52 -3.02 4.56 2.47 -1.90 -3.45 114.38 118.85 2d9x h ARG 52 Ca -0.45 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.20 2d9x h ARG 52 Cb 1.21 -0.12 -0.14 0.00 -1.65 0.00 0.00 29.97 29.28 2d9x h ARG 52 CO 0.77 0.34 0.09 0.20 0.56 0.00 0.00 179.97 181.93 2d9x s GLY 53 N -3.33 -0.47 0.12 0.04 0.00 -1.25 -5.05 107.32 97.36 2d9x s GLY 53 Ca -0.12 0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 2d9x s GLY 53 CO 0.76 0.08 0.03 -0.51 0.00 0.00 0.00 173.10 173.47 2d9x s THR 54 N -3.37 0.21 -0.14 0.90 -4.23 -1.26 -2.82 115.64 104.94 2d9x s THR 54 Ca -0.00 -1.90 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 2d9x s THR 54 Cb -0.00 -1.93 0.05 0.00 1.34 0.00 0.00 72.50 71.96 2d9x s THR 54 CO -0.09 -0.59 0.33 -0.22 -0.54 0.00 0.00 174.62 173.51 2d9x s LEU 55 N -3.04 0.18 -0.11 4.79 2.96 0.07 -4.96 118.68 118.58 2d9x s LEU 55 Ca 0.20 0.72 -0.30 0.00 -0.22 0.00 0.00 54.13 54.53 2d9x s LEU 55 Cb 0.07 1.06 -0.01 0.00 0.50 0.00 0.00 46.19 47.81 2d9x s LEU 55 CO -0.01 -0.18 1.07 -1.10 -1.32 0.00 0.00 176.35 174.82 2d9x s GLN 56 N 1.26 4.38 -0.02 1.98 -0.21 -1.26 -1.21 119.66 124.58 2d9x s GLN 56 Ca -0.09 1.47 0.00 0.00 0.02 0.00 0.00 55.36 56.76 2d9x s GLN 56 Cb -0.09 -3.56 -0.26 0.00 1.00 0.00 0.00 33.01 30.10 2d9x s GLN 56 CO -0.10 -0.40 0.78 -0.07 -2.12 0.00 0.00 175.29 173.38 2d9x h LEU 57 N 8.28 0.30 -8.06 2.90 3.38 -1.93 -3.43 115.31 116.74 2d9x h LEU 57 Ca -0.30 -0.46 -0.39 0.00 0.09 0.00 0.00 57.88 56.82 2d9x h LEU 57 Cb 1.14 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 2d9x h LEU 57 CO 0.88 1.39 1.75 0.00 0.09 0.00 0.00 178.44 182.55 2d9x n ALA 58 N -2.67 0.74 -0.78 1.53 0.00 -1.26 0.04 120.51 118.11 2d9x n ALA 58 Ca -0.18 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.59 2d9x n ALA 58 Cb 1.04 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 6.00 0.70 3.63 0.00 0.00 -1.25 -4.74 105.19 109.52 2d9x n GLY 59 Ca 0.64 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.98 3.20 -0.01 4.61 0.00 0.11 -1.57 121.76 126.12 2d9x s ALA 60 Ca 0.00 -2.07 0.06 0.00 0.00 0.00 0.00 51.96 49.95 2d9x s ALA 60 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2d9x s ALA 60 CO 0.00 0.00 -0.20 0.08 0.00 0.00 0.00 175.76 175.64 2d9x s VAL 61 N -2.58 1.62 -0.28 0.00 1.01 -1.25 -4.90 120.40 114.02 2d9x s VAL 61 Ca 0.35 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2d9x s VAL 61 Cb 0.03 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.09 2d9x s VAL 61 CO 0.19 0.42 0.00 -0.63 0.00 0.00 0.00 175.10 175.08 2d9x s ILE 62 N -0.53 3.19 -0.49 2.22 1.09 -1.26 -0.33 121.20 125.10 2d9x s ILE 62 Ca 0.08 -1.11 0.03 0.00 -1.10 0.00 0.00 60.65 58.55 2d9x s ILE 62 Cb -0.08 -2.72 0.13 0.00 -1.06 0.00 0.00 42.46 38.73 2d9x s ILE 62 CO -0.00 0.03 0.23 -0.55 -0.10 0.00 0.00 174.94 174.55 2d9x s SER 63 N 1.34 4.55 0.31 3.58 0.15 -0.92 -5.00 113.70 117.70 2d9x s SER 63 Ca -0.02 -2.78 -0.29 0.00 0.70 0.00 0.00 55.95 53.57 2d9x s SER 63 Cb -0.18 -1.67 -0.10 0.00 -1.71 0.00 0.00 66.02 62.36 2d9x s SER 63 CO -0.01 -0.29 1.23 -2.16 1.20 0.00 0.00 173.24 173.21 2d9x s PRO 64 N 0.04 4.46 1.10 5.44 0.04 -1.26 -3.16 135.00 141.67 2d9x s PRO 64 Ca 0.15 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.09 2d9x s PRO 64 Cb -0.24 -3.12 0.24 0.00 0.04 0.00 0.00 34.50 31.42 2d9x s PRO 64 CO -0.02 -0.04 1.12 -1.54 0.04 0.00 0.00 177.00 176.55 2d9x s SER 65 N -0.60 1.78 0.00 6.66 1.04 -1.24 -4.96 113.70 116.37 2d9x s SER 65 Ca 0.47 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.73 2d9x s SER 65 Cb -0.37 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.52 2d9x s SER 65 CO 0.48 -3.61 0.00 0.47 0.98 0.00 0.00 173.24 171.56 2d9x n ASP 66 N -4.45 2.91 0.06 7.02 9.92 -1.26 -4.87 116.55 125.89 2d9x n ASP 66 Ca 0.10 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.31 2d9x n ASP 66 Cb 0.59 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.04 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2d9x h GLU 67 N 0.00 -0.24 -7.30 -1.24 5.08 -2.01 -3.43 114.58 105.44 2d9x h GLU 67 Ca 0.00 0.02 -0.52 0.00 -1.00 0.00 0.00 59.36 57.86 2d9x h GLU 67 Cb 0.74 0.06 0.14 0.00 0.50 0.00 0.00 28.75 30.18 2d9x h GLU 67 CO 0.00 -0.16 0.31 -0.51 -1.00 0.00 0.00 179.01 177.65 2d9x s ASP 68 N -2.88 4.40 -0.08 1.42 1.01 -1.26 -5.00 116.67 114.28 2d9x s ASP 68 Ca -0.05 1.87 -0.13 0.00 0.71 0.00 0.00 52.55 54.95 2d9x s ASP 68 Cb 0.01 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 2d9x s ASP 68 CO 0.16 -2.11 0.47 0.28 0.21 0.00 0.00 175.17 174.19 2d9x h SER 69 N -1.12 -0.15 -3.54 0.27 0.02 -1.96 -3.43 113.55 103.64 2d9x h SER 69 Ca -0.44 -0.23 -0.70 0.00 -0.84 0.00 0.00 61.79 59.58 2d9x h SER 69 Cb 1.24 0.04 -0.31 0.00 0.14 0.00 0.00 62.40 63.51 2d9x h SER 69 CO 0.51 0.42 -0.55 -1.00 -1.14 0.00 0.00 176.83 175.07 2d9x s HIS 70 N -2.51 3.39 -0.08 3.45 3.76 -1.26 -4.76 115.29 117.28 2d9x s HIS 70 Ca -0.08 -1.84 -0.30 0.00 -0.15 0.00 0.00 55.06 52.70 2d9x s HIS 70 Cb -0.00 -2.81 0.11 0.00 1.11 0.00 0.00 32.58 30.99 2d9x s HIS 70 CO 0.27 -0.86 0.92 0.99 -0.85 0.00 0.00 174.74 175.21 2d9x s THR 71 N 1.31 0.00 -0.19 1.30 2.01 -1.26 -4.42 115.64 114.39 2d9x s THR 71 Ca 0.03 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 2d9x s THR 71 Cb -0.22 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.43 2d9x s THR 71 CO -0.00 0.00 1.07 0.72 -0.69 0.00 0.00 174.62 175.72 2d9x s PHE 72 N -2.03 -0.31 -0.10 4.92 -0.71 -1.21 -3.63 117.98 114.90 2d9x s PHE 72 Ca 0.01 0.54 0.03 0.00 -1.04 0.00 0.00 56.93 56.47 2d9x s PHE 72 Cb -0.01 0.45 0.01 0.00 -1.21 0.00 0.00 43.02 42.26 2d9x s PHE 72 CO -0.02 -0.27 -0.21 0.95 -1.34 0.00 0.00 175.22 174.32 2d9x s THR 73 N -1.01 1.87 -0.55 -4.49 -4.23 -1.19 -3.25 115.64 102.80 2d9x s THR 73 Ca 0.01 -0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 59.51 2d9x s THR 73 Cb -0.01 -1.64 0.14 0.00 1.34 0.00 0.00 72.50 72.33 2d9x s THR 73 CO -0.01 0.52 0.45 -0.69 -0.54 0.00 0.00 174.62 174.35 2d9x s VAL 74 N 0.57 4.65 1.18 2.29 1.01 -1.04 -2.17 120.40 126.89 2d9x s VAL 74 Ca -0.14 -1.86 -0.20 0.00 0.00 0.00 0.00 61.98 59.78 2d9x s VAL 74 Cb -0.17 -4.01 0.29 0.00 0.00 0.00 0.00 36.38 32.49 2d9x s VAL 74 CO 0.05 -0.84 1.17 0.20 0.00 0.00 0.00 175.10 175.67 2d9x s ASN 75 N 2.76 1.11 0.03 3.32 0.01 0.56 -2.06 114.94 120.67 2d9x s ASN 75 Ca 0.07 0.44 -0.02 0.00 -0.71 0.00 0.00 52.86 52.64 2d9x s ASN 75 Cb -0.25 -0.55 -0.02 0.00 0.41 0.00 0.00 41.25 40.84 2d9x s ASN 75 CO -0.01 -3.99 0.00 0.00 -1.51 0.00 0.00 177.10 171.60 2d9x s ALA 76 N -3.23 0.13 0.22 0.60 0.00 0.12 -3.80 121.76 115.80 2d9x s ALA 76 Ca 0.73 -0.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.94 2d9x s ALA 76 Cb -0.07 0.19 0.33 0.00 0.00 0.00 0.00 23.12 23.57 2d9x s ALA 76 CO 0.55 -0.23 1.75 0.00 0.00 0.00 0.00 175.76 177.83 2d9x h ALA 77 N 4.15 0.90 -0.20 0.00 0.00 -1.56 -2.07 119.26 120.48 2d9x h ALA 77 Ca -0.32 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2d9x h ALA 77 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2d9x h ALA 77 CO 0.48 -0.14 0.13 1.03 0.00 0.00 0.00 179.25 180.75 2d9x h SER 78 N 0.49 0.24 0.00 0.00 0.87 -1.95 -3.46 113.55 109.72 2d9x h SER 78 Ca 0.34 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2d9x h SER 78 Cb 0.42 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2d9x h SER 78 CO -0.31 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 176.79 2d9x n GLY 79 N -1.12 0.16 3.31 5.77 0.00 -0.78 -5.16 105.19 107.37 2d9x n GLY 79 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 1.68 0.07 1.61 2.56 -1.25 -4.91 118.70 118.46 2d9x s GLU 80 Ca 0.00 -1.04 0.10 0.00 0.00 0.00 0.00 54.97 54.03 2d9x s GLU 80 Cb 0.00 -1.82 -0.03 0.00 2.00 0.00 0.00 34.13 34.28 2d9x s GLU 80 CO 0.00 0.47 -0.26 -1.14 -0.56 0.00 0.00 175.26 173.77 2d9x s GLN 81 N -1.17 1.63 -0.13 4.30 0.74 -1.26 0.15 119.66 123.92 2d9x s GLN 81 Ca 0.10 -1.17 0.02 0.00 0.05 0.00 0.00 55.36 54.36 2d9x s GLN 81 Cb -0.10 -1.90 -0.00 0.00 1.10 0.00 0.00 33.01 32.11 2d9x s GLN 81 CO 0.02 0.48 -0.19 0.71 -0.55 0.00 0.00 175.29 175.76 2d9x s TYR 82 N -0.89 2.71 -0.68 1.67 1.51 -0.87 -4.94 117.35 115.85 2d9x s TYR 82 Ca 0.12 -1.06 -0.18 0.00 -1.01 0.00 0.00 57.07 54.94 2d9x s TYR 82 Cb -0.10 -1.82 0.13 0.00 -0.11 0.00 0.00 41.96 40.06 2d9x s TYR 82 CO 0.03 -0.46 0.77 0.21 -1.11 0.00 0.00 175.55 174.99 2d9x s LYS 83 N 0.64 3.22 0.38 -0.62 2.20 -1.26 -2.50 119.74 121.79 2d9x s LYS 83 Ca -0.10 -1.61 0.08 0.00 -0.36 0.00 0.00 55.97 53.98 2d9x s LYS 83 Cb -0.16 -4.39 -0.07 0.00 -1.51 0.00 0.00 37.83 31.69 2d9x s LYS 83 CO 0.02 -1.52 -0.02 -0.51 -0.36 0.00 0.00 175.35 172.96 2d9x s LEU 84 N 2.19 2.78 -0.05 5.43 1.43 -1.20 -2.91 118.68 126.36 2d9x s LEU 84 Ca 0.15 -1.31 -0.05 0.00 -1.03 0.00 0.00 54.13 51.89 2d9x s LEU 84 Cb -0.19 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.14 2d9x s LEU 84 CO 0.01 -0.38 0.13 -0.60 0.23 0.00 0.00 176.35 175.75 2d9x s ARG 85 N -3.69 0.18 0.48 1.70 3.52 -0.95 -3.33 118.95 116.86 2d9x s ARG 85 Ca 0.34 0.14 -0.04 0.00 -0.13 0.00 0.00 55.73 56.04 2d9x s ARG 85 Cb 0.07 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 2d9x s ARG 85 CO 0.17 -0.02 0.76 0.00 -0.81 0.00 0.00 175.30 175.40 2d9x s ALA 86 N -0.03 3.46 0.12 6.12 0.00 -1.26 -2.60 121.76 127.56 2d9x s ALA 86 Ca -0.01 -0.63 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 2d9x s ALA 86 Cb -0.01 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 2d9x s ALA 86 CO 0.00 -0.37 1.75 0.00 0.00 0.00 0.00 175.76 177.14 2d9x h THR 87 N 0.25 0.96 -3.87 0.00 1.03 -1.95 -3.46 112.91 105.87 2d9x h THR 87 Ca -0.47 -0.05 -0.10 0.00 -0.01 0.00 0.00 66.41 65.78 2d9x h THR 87 Cb 1.22 0.80 -0.13 0.00 -1.07 0.00 0.00 68.15 68.96 2d9x h THR 87 CO 0.61 0.03 -0.35 1.51 -0.01 0.00 0.00 175.52 177.31 2d9x s ASP 88 N -5.29 0.08 0.36 0.00 1.47 -1.26 -5.03 116.67 107.00 2d9x s ASP 88 Ca -0.13 -0.79 0.12 0.00 1.18 0.00 0.00 52.55 52.93 2d9x s ASP 88 Cb 0.09 0.39 0.92 0.00 -0.34 0.00 0.00 42.92 43.98 2d9x s ASP 88 CO 0.69 -0.82 1.80 0.00 0.68 0.00 0.00 175.17 177.51 2d9x h ALA 89 N 2.64 1.95 -0.14 2.11 0.00 -1.88 0.42 119.26 124.36 2d9x h ALA 89 Ca -0.33 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2d9x h ALA 89 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2d9x h ALA 89 CO 0.52 -0.30 0.06 -0.22 0.00 0.00 0.00 179.25 179.31 2d9x h LYS 90 N 0.58 0.18 0.11 0.00 3.64 -1.96 -2.87 116.57 116.25 2d9x h LYS 90 Ca 0.55 -0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.61 2d9x h LYS 90 Cb 1.11 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2d9x h LYS 90 CO -0.30 0.15 -1.58 1.49 -2.27 0.00 0.00 179.45 176.93 2d9x h GLU 91 N 0.19 0.24 -0.76 1.90 4.81 -0.71 -3.36 114.58 116.88 2d9x h GLU 91 Ca 0.05 -0.40 0.15 0.00 -0.13 0.00 0.00 59.36 59.02 2d9x h GLU 91 Cb 0.02 0.15 -0.14 0.00 0.63 0.00 0.00 28.75 29.41 2d9x h GLU 91 CO -0.01 1.19 -0.21 -2.13 -0.73 0.00 0.00 179.01 177.12 2d9x n ARG 92 N -3.84 -0.09 -0.21 1.92 0.00 0.34 0.20 116.66 114.98 2d9x n ARG 92 Ca -0.28 1.19 -0.07 0.00 -0.00 0.00 0.00 57.85 58.69 2d9x n ARG 92 Cb 0.93 -1.77 0.03 0.00 0.00 0.00 0.00 32.46 31.65 2d9x n ARG 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 2d9x h GLN 93 N 0.00 0.87 -0.66 -0.14 3.07 -1.73 -1.98 115.11 114.54 2d9x h GLN 93 Ca 0.34 -0.14 0.14 0.00 0.09 0.00 0.00 58.65 59.08 2d9x h GLN 93 Cb 0.54 -0.15 -0.10 0.00 0.08 0.00 0.00 27.48 27.85 2d9x h GLN 93 CO -0.78 0.72 0.12 1.25 0.09 0.00 0.00 178.83 180.23 2d9x h HIS 94 N 0.81 0.18 0.38 0.06 2.76 0.21 0.02 115.15 119.58 2d9x h HIS 94 Ca 0.20 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2d9x h HIS 94 Cb 0.16 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.14 2d9x h HIS 94 CO 0.00 -0.08 -0.18 -1.49 -1.30 0.00 0.00 177.93 174.88 2d9x h TRP 95 N 0.23 -0.48 -0.99 5.26 4.06 -1.12 -1.61 115.95 121.31 2d9x h TRP 95 Ca 0.36 -0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.46 2d9x h TRP 95 Cb 0.58 0.16 -0.16 0.00 -1.00 0.00 0.00 29.16 28.73 2d9x h TRP 95 CO -0.28 -0.30 -0.36 0.28 -3.56 0.00 0.00 178.44 174.22 2d9x n VAL 96 N -4.24 -0.50 0.15 1.49 0.31 -0.77 -0.19 118.33 114.59 2d9x n VAL 96 Ca -0.06 2.30 -0.06 0.00 -0.01 0.00 0.00 64.34 66.51 2d9x n VAL 96 Cb 0.20 -3.07 -0.03 0.00 -0.91 0.00 0.00 33.84 30.04 2d9x n VAL 96 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2d9x h SER 97 N 0.00 -0.33 -0.97 4.52 0.87 -1.07 0.47 113.55 117.04 2d9x h SER 97 Ca 0.37 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 61.07 2d9x h SER 97 Cb 0.62 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 62.52 2d9x h SER 97 CO -0.99 -0.22 -0.43 0.54 -0.53 0.00 0.00 176.83 175.19 2d9x n ARG 98 N -3.13 -0.28 -0.22 2.24 5.12 -0.60 0.50 116.66 120.29 2d9x n ARG 98 Ca -0.05 1.49 -0.04 0.00 -1.93 0.00 0.00 57.85 57.31 2d9x n ARG 98 Cb 0.15 -2.20 0.06 0.00 -1.16 0.00 0.00 32.46 29.32 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 0.63 -2.49 0.55 3.38 -0.59 0.15 115.31 116.94 2d9x h LEU 99 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2d9x h LEU 99 Cb 0.53 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2d9x h LEU 99 CO -0.95 0.44 -0.00 1.56 0.09 0.00 0.00 178.44 179.58 2d9x h GLN 100 N 0.76 0.00 0.04 1.13 4.20 0.24 0.27 115.11 121.75 2d9x h GLN 100 Ca 0.25 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.74 2d9x h GLN 100 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2d9x h GLN 100 CO -0.11 0.00 -1.21 0.82 -0.67 0.00 0.00 178.83 177.67 2d9x h ILE 101 N 0.00 1.03 -0.12 2.54 2.04 0.62 -3.23 117.51 120.39 2d9x h ILE 101 Ca -0.00 -2.27 -0.06 0.00 1.00 0.00 0.00 64.86 63.52 2d9x h ILE 101 Cb 0.00 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 2d9x h ILE 101 CO 0.00 0.51 -0.21 0.00 0.00 0.00 0.00 178.15 178.45 2d9x h THR 103 N 0.18 1.30 0.14 0.00 1.03 -0.62 -3.02 112.91 111.91 2d9x h THR 103 Ca 0.03 -1.21 -0.01 0.00 -0.01 0.00 0.00 66.41 65.21 2d9x h THR 103 Cb 0.48 1.54 0.00 0.00 -1.07 0.00 0.00 68.15 69.10 2d9x h THR 103 CO 0.03 0.38 -0.06 -0.61 -0.01 0.00 0.00 175.52 175.25 2d9x h GLN 104 N 0.28 -0.18 -1.69 0.00 4.15 -1.53 -2.48 115.11 113.66 2d9x h GLN 104 Ca 0.06 0.01 0.52 0.00 0.77 0.00 0.00 58.65 60.01 2d9x h GLN 104 Cb 0.64 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 28.26 2d9x h GLN 104 CO 0.04 0.18 1.17 1.25 -1.93 0.00 0.00 178.83 179.54 2d9x h HIS 105 N -0.97 0.23 0.00 3.99 2.76 -0.85 0.19 115.15 120.50 2d9x h HIS 105 Ca -0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2d9x h HIS 105 Cb 0.44 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.34 2d9x h HIS 105 CO 0.08 -0.12 -0.03 0.45 -1.30 0.00 0.00 177.93 177.01 2d9x h HIS 106 N 0.01 0.00 -1.44 5.26 3.86 -1.57 -3.25 115.15 118.02 2d9x h HIS 106 Ca 0.90 0.00 0.47 0.00 -1.16 0.00 0.00 60.37 60.58 2d9x h HIS 106 Cb 3.31 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 31.65 2d9x h HIS 106 CO -0.00 0.00 0.95 0.00 0.86 0.00 0.00 177.93 179.74 2d9x h THR 107 N -0.19 0.07 -0.39 2.45 1.03 -0.84 1.01 112.91 116.04 2d9x h THR 107 Ca 0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 66.41 66.34 2d9x h THR 107 Cb 0.03 0.02 -0.02 0.00 -1.07 0.00 0.00 68.15 67.11 2d9x h THR 107 CO 0.00 0.01 0.08 -0.33 -0.01 0.00 0.00 175.52 175.27 2d9x h GLU 108 N 0.04 0.64 -1.40 0.00 4.39 -0.81 -2.72 114.58 114.73 2d9x h GLU 108 Ca 0.86 -0.16 0.41 0.00 0.34 0.00 0.00 59.36 60.81 2d9x h GLU 108 Cb 2.85 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 31.34 2d9x h GLU 108 CO -0.37 0.67 0.97 0.00 -1.16 0.00 0.00 179.01 179.13 2d9x h ALA 109 N 0.94 3.12 -2.48 3.43 0.00 0.10 -3.40 119.26 120.97 2d9x h ALA 109 Ca 0.12 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.50 2d9x h ALA 109 Cb 0.33 0.12 0.04 0.00 0.00 0.00 0.00 17.79 18.28 2d9x h ALA 109 CO 0.00 -1.58 1.12 -0.89 0.00 0.00 0.00 179.25 177.91 2d9x n ILE 110 N -4.28 0.41 0.00 0.00 5.41 -1.03 -4.92 119.36 114.95 2d9x n ILE 110 Ca 0.33 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 64.00 2d9x n ILE 110 Cb 1.43 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 2d9x n ILE 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2d9x n GLY 111 N 4.27 -3.31 3.68 7.39 0.00 -1.26 -4.35 105.19 111.60 2d9x n GLY 111 Ca 0.18 0.62 -0.47 0.00 0.00 0.00 0.00 46.02 46.35 2d9x n GLY 111 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2d9x n LYS 112 N -2.08 2.22 -4.12 1.61 4.81 -1.26 -4.97 118.16 114.36 2d9x n LYS 112 Ca 0.00 0.81 -0.15 0.00 -0.87 0.00 0.00 58.31 58.10 2d9x n LYS 112 Cb 0.00 -2.64 -0.12 0.00 0.02 0.00 0.00 35.03 32.29 2d9x n LYS 112 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2d9x s ASN 113 N 3.02 0.94 -0.26 3.14 2.47 -1.26 -5.04 114.94 117.95 2d9x s ASN 113 Ca 0.88 -0.45 0.02 0.00 0.42 0.00 0.00 52.86 53.73 2d9x s ASN 113 Cb -0.67 -0.01 0.06 0.00 -1.45 0.00 0.00 41.25 39.18 2d9x s ASN 113 CO 0.46 -0.12 -0.10 0.20 -3.72 0.00 0.00 177.10 173.82 2d9x s ASN 114 N -1.24 4.40 0.07 -4.21 -0.87 -1.26 -5.09 114.94 106.73 2d9x s ASN 114 Ca -0.06 -1.33 -0.14 0.00 -1.57 0.00 0.00 52.86 49.76 2d9x s ASN 114 Cb -0.08 -1.56 0.02 0.00 -0.02 0.00 0.00 41.25 39.61 2d9x s ASN 114 CO 0.00 -0.18 0.33 -0.55 -2.57 0.00 0.00 177.10 174.13 2d9x s SER 115 N 1.13 -0.15 0.00 -1.22 0.15 -1.26 -5.13 113.70 107.23 2d9x s SER 115 Ca -0.08 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2d9x s SER 115 Cb -0.19 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2d9x s SER 115 CO -0.05 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.31 2d9x n GLY 116 N 0.33 0.76 3.73 9.45 0.00 -1.26 -5.11 105.19 113.08 2d9x n GLY 116 Ca -0.18 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2d9x n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9x s PRO 117 N 0.50 4.38 -0.02 1.61 0.04 -1.26 -5.02 135.00 135.23 2d9x s PRO 117 Ca 0.00 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 2d9x s PRO 117 Cb 0.00 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.42 2d9x s PRO 117 CO 0.00 -0.28 0.82 -1.54 0.04 0.00 0.00 177.00 176.04 2d9x s SER 118 N 0.51 -0.46 -0.29 6.66 1.04 -1.26 -5.17 113.70 114.73 2d9x s SER 118 Ca 0.58 0.23 -0.13 0.00 0.48 0.00 0.00 55.95 57.11 2d9x s SER 118 Cb -0.36 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.32 2d9x s SER 118 CO 0.36 -0.62 0.73 -0.94 0.98 0.00 0.00 173.24 173.76 2d9x s SER 119 N -1.97 -0.98 0.00 7.02 1.04 -1.26 -5.33 113.70 112.23 2d9x s SER 119 Ca -0.00 1.40 0.00 0.00 0.48 0.00 0.00 55.95 57.83 2d9x s SER 119 Cb -0.01 1.92 0.00 0.00 0.10 0.00 0.00 66.02 68.04 2d9x s SER 119 CO -0.04 -0.20 0.46 0.61 0.98 0.00 0.00 173.24 175.05