#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v9x s SER 2 N 0.00 4.60 -0.68 1.61 0.15 -1.26 -5.06 113.70 113.06 1v9x s SER 2 Ca 0.00 -0.31 -0.05 0.00 0.70 0.00 0.00 55.95 56.29 1v9x s SER 2 Cb 0.00 -0.96 0.18 0.00 -1.71 0.00 0.00 66.02 63.53 1v9x s SER 2 CO 0.00 0.18 0.53 -0.94 1.20 0.00 0.00 173.24 174.21 1v9x s SER 3 N -2.20 5.57 0.00 5.45 1.04 -1.26 -4.79 113.70 117.50 1v9x s SER 3 Ca 0.23 -2.88 0.00 0.00 0.48 0.00 0.00 55.95 53.77 1v9x s SER 3 Cb -0.11 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1v9x s SER 3 CO 0.15 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1v9x n GLY 4 N 3.50 -0.36 3.28 7.32 0.00 -1.26 -5.11 105.19 112.56 1v9x n GLY 4 Ca 0.10 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 1v9x n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v9x s SER 5 N -1.31 -0.14 0.01 1.61 0.15 -1.26 -5.07 113.70 107.69 1v9x s SER 5 Ca 0.00 -0.41 -0.18 0.00 0.70 0.00 0.00 55.95 56.07 1v9x s SER 5 Cb 0.00 0.44 -0.34 0.00 -1.71 0.00 0.00 66.02 64.41 1v9x s SER 5 CO 0.00 -0.82 0.98 0.28 1.20 0.00 0.00 173.24 174.88 1v9x h SER 6 N 2.48 0.74 -2.68 5.45 0.02 -2.06 -3.42 113.55 114.08 1v9x h SER 6 Ca -0.34 -0.92 -0.55 0.00 -0.84 0.00 0.00 61.79 59.14 1v9x h SER 6 Cb 1.24 -0.24 -0.08 0.00 0.14 0.00 0.00 62.40 63.46 1v9x h SER 6 CO 0.49 1.61 0.99 -0.83 -1.14 0.00 0.00 176.83 177.95 1v9x s GLY 7 N -4.53 1.01 -0.28 -3.77 0.00 -1.26 -4.94 107.32 93.56 1v9x s GLY 7 Ca -0.10 -1.21 -0.25 0.00 0.00 0.00 0.00 44.72 43.15 1v9x s GLY 7 CO 0.91 2.55 1.02 -1.58 0.00 0.00 0.00 173.10 176.00 1v9x s HIS 8 N 5.32 -0.48 0.43 1.90 5.65 -1.26 -5.15 115.29 121.69 1v9x s HIS 8 Ca 0.37 1.16 -0.26 0.00 0.25 0.00 0.00 55.06 56.59 1v9x s HIS 8 Cb -0.08 0.36 -0.08 0.00 -1.18 0.00 0.00 32.58 31.59 1v9x s HIS 8 CO 0.18 -0.24 1.36 0.15 -0.65 0.00 0.00 174.74 175.54 1v9x s LYS 9 N 0.18 3.84 0.19 2.88 1.02 -1.26 -4.94 119.74 121.65 1v9x s LYS 9 Ca 0.03 2.27 -0.05 0.00 0.02 0.00 0.00 55.97 58.24 1v9x s LYS 9 Cb -0.05 -2.71 0.11 0.00 -0.52 0.00 0.00 37.83 34.67 1v9x s LYS 9 CO -0.06 -0.64 1.54 -1.00 -0.92 0.00 0.00 175.35 174.27 1v9x h PRO 10 N 2.51 0.69 -6.39 -1.68 0.13 -1.87 -3.45 132.00 121.94 1v9x h PRO 10 Ca -0.50 -0.37 -0.62 0.00 -0.87 0.00 0.00 66.00 63.64 1v9x h PRO 10 Cb 1.26 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 1v9x h PRO 10 CO 0.62 0.98 -0.68 -1.58 -0.23 0.00 0.00 178.00 177.11 1v9x s TRP 11 N -4.26 2.82 0.04 1.56 0.52 -1.16 -0.21 118.94 118.24 1v9x s TRP 11 Ca -0.09 -0.13 0.06 0.00 0.02 0.00 0.00 56.10 55.96 1v9x s TRP 11 Cb 0.12 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 1v9x s TRP 11 CO 0.85 0.49 -0.18 -0.98 0.02 0.00 0.00 176.95 177.15 1v9x s ARG 12 N -2.70 1.23 -0.11 4.98 1.70 -0.96 -1.43 118.95 121.66 1v9x s ARG 12 Ca 0.26 -0.87 -0.01 0.00 -0.47 0.00 0.00 55.73 54.64 1v9x s ARG 12 Cb -0.10 -1.30 0.03 0.00 -0.57 0.00 0.00 34.95 33.01 1v9x s ARG 12 CO 0.17 0.33 -0.03 0.00 -1.08 0.00 0.00 175.30 174.69 1v9x s ALA 13 N -0.80 1.06 -0.14 7.88 0.00 0.18 -2.83 121.76 127.10 1v9x s ALA 13 Ca 0.05 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1v9x s ALA 13 Cb -0.08 -0.88 0.11 0.00 0.00 0.00 0.00 23.12 22.27 1v9x s ALA 13 CO 0.02 -0.52 0.91 -1.83 0.00 0.00 0.00 175.76 174.34 1v9x s GLU 14 N 1.82 0.71 0.01 0.00 -1.05 -1.26 -4.02 118.70 114.92 1v9x s GLU 14 Ca 0.04 0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 54.77 1v9x s GLU 14 Cb -0.13 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.86 1v9x s GLU 14 CO -0.07 -0.21 1.12 0.71 0.95 0.00 0.00 175.26 177.76 1v9x s TYR 15 N -1.04 3.46 0.63 4.83 1.51 -1.26 -3.92 117.35 121.56 1v9x s TYR 15 Ca -0.04 1.42 -0.18 0.00 -1.01 0.00 0.00 57.07 57.27 1v9x s TYR 15 Cb -0.01 -3.31 -0.03 0.00 -0.11 0.00 0.00 41.96 38.50 1v9x s TYR 15 CO 0.03 -0.83 1.10 0.00 -1.11 0.00 0.00 175.55 174.75 1v9x n ALA 16 N 4.23 0.59 -0.02 3.71 0.00 -1.02 -4.76 120.51 123.24 1v9x n ALA 16 Ca 0.08 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.58 1v9x n ALA 16 Cb 0.48 -2.20 -0.12 0.00 0.00 0.00 0.00 19.45 17.61 1v9x n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1v9x n LYS 17 N -1.44 0.64 -3.85 0.00 4.76 -1.26 -1.20 118.16 115.81 1v9x n LYS 17 Ca 0.15 -0.12 -0.09 0.00 -2.87 0.00 0.00 58.31 55.38 1v9x n LYS 17 Cb 0.48 -1.37 -0.07 0.00 -1.84 0.00 0.00 35.03 32.22 1v9x n LYS 17 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1v9x s SER 18 N -3.94 0.11 -0.48 4.39 0.01 -1.26 -4.78 113.70 107.75 1v9x s SER 18 Ca -0.06 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.56 1v9x s SER 18 Cb 0.09 0.34 0.36 0.00 0.21 0.00 0.00 66.02 67.02 1v9x s SER 18 CO 0.64 -0.72 1.98 -1.20 0.41 0.00 0.00 173.24 174.36 1v9x n SER 19 N -0.01 6.63 -0.01 2.44 7.64 -1.26 -3.88 113.62 125.18 1v9x n SER 19 Ca -0.15 -3.41 -0.21 0.00 1.01 0.00 0.00 58.87 56.10 1v9x n SER 19 Cb 0.62 -0.98 -0.14 0.00 -1.01 0.00 0.00 64.21 62.70 1v9x n SER 19 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1v9x n ARG 20 N -0.37 0.74 -2.27 1.43 1.74 -1.26 -4.72 116.66 111.96 1v9x n ARG 20 Ca 0.47 0.29 -0.38 0.00 -0.77 0.00 0.00 57.85 57.46 1v9x n ARG 20 Cb 0.73 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 30.44 1v9x n ARG 20 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1v9x s SER 21 N -7.02 6.36 -0.05 0.55 1.04 -1.26 -4.92 113.70 108.39 1v9x s SER 21 Ca -0.23 2.35 0.03 0.00 0.48 0.00 0.00 55.95 58.58 1v9x s SER 21 Cb 0.07 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1v9x s SER 21 CO 0.75 -0.79 -0.15 -0.44 0.98 0.00 0.00 173.24 173.59 1v9x s SER 22 N -1.21 2.04 0.99 7.02 0.01 -1.26 -1.37 113.70 119.93 1v9x s SER 22 Ca 0.60 -0.34 -0.13 0.00 1.31 0.00 0.00 55.95 57.38 1v9x s SER 22 Cb -0.30 -0.73 0.09 0.00 0.21 0.00 0.00 66.02 65.28 1v9x s SER 22 CO 0.37 0.11 0.51 0.00 0.41 0.00 0.00 173.24 174.64 1v9x n LYS 24 N -2.45 2.58 -0.06 0.00 -0.00 -1.05 -3.13 118.16 114.03 1v9x n LYS 24 Ca 0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.29 1v9x n LYS 24 Cb 0.55 -1.19 0.08 0.00 -0.00 0.00 0.00 35.03 34.48 1v9x n LYS 24 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1v9x h THR 25 N 0.00 1.28 0.00 0.58 2.02 -1.93 -3.30 112.91 111.56 1v9x h THR 25 Ca -0.20 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1v9x h THR 25 Cb 1.44 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1v9x h THR 25 CO 0.01 0.47 -1.07 0.00 0.37 0.00 0.00 175.52 175.30 1v9x n LYS 27 N -1.60 -4.49 -4.68 0.00 4.01 -1.18 -5.04 118.16 105.16 1v9x n LYS 27 Ca -0.01 0.52 -0.31 0.00 -0.51 0.00 0.00 58.31 58.01 1v9x n LYS 27 Cb 0.18 -4.58 -0.08 0.00 -0.51 0.00 0.00 35.03 30.05 1v9x n LYS 27 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1v9x s SER 28 N -3.52 3.76 0.07 4.39 0.01 -1.23 -4.87 113.70 112.32 1v9x s SER 28 Ca 0.18 -1.62 -0.17 0.00 1.31 0.00 0.00 55.95 55.64 1v9x s SER 28 Cb -0.08 0.40 -0.07 0.00 0.21 0.00 0.00 66.02 66.49 1v9x s SER 28 CO 0.45 -0.82 0.54 -0.69 0.41 0.00 0.00 173.24 173.12 1v9x s VAL 29 N -2.94 4.81 -0.76 3.43 1.01 -1.26 0.20 120.40 124.89 1v9x s VAL 29 Ca 0.14 1.07 -0.08 0.00 0.00 0.00 0.00 61.98 63.11 1v9x s VAL 29 Cb 0.03 -3.83 0.20 0.00 0.00 0.00 0.00 36.38 32.77 1v9x s VAL 29 CO 0.07 0.50 0.64 -0.63 0.00 0.00 0.00 175.10 175.68 1v9x s ILE 30 N -1.18 4.74 0.54 2.22 1.01 -0.47 -4.80 121.20 123.26 1v9x s ILE 30 Ca 0.30 -2.81 -0.21 0.00 0.00 0.00 0.00 60.65 57.94 1v9x s ILE 30 Cb -0.18 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 1v9x s ILE 30 CO 0.18 -0.97 1.01 0.59 0.00 0.00 0.00 174.94 175.75 1v9x n ASN 31 N 3.61 1.09 -4.65 3.58 4.13 -1.26 -4.26 115.26 117.51 1v9x n ASN 31 Ca 0.12 0.89 -0.30 0.00 1.68 0.00 0.00 54.58 56.97 1v9x n ASN 31 Cb 0.42 -1.40 0.17 0.00 -1.54 0.00 0.00 39.78 37.44 1v9x n ASN 31 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1v9x s LYS 32 N -2.52 0.71 -0.79 3.52 -2.85 -1.25 -3.62 119.74 112.94 1v9x s LYS 32 Ca 0.71 1.15 0.00 0.00 -1.00 0.00 0.00 55.97 56.83 1v9x s LYS 32 Cb -0.46 -1.72 0.00 0.00 -2.06 0.00 0.00 37.83 33.59 1v9x s LYS 32 CO 0.51 -2.71 0.00 0.39 0.10 0.00 0.00 175.35 173.64 1v9x n GLU 33 N -4.25 -0.62 -4.38 1.78 1.02 -0.34 -4.90 120.64 108.95 1v9x n GLU 33 Ca 0.08 0.60 -0.22 0.00 -0.02 0.00 0.00 57.16 57.60 1v9x n GLU 33 Cb 0.53 -4.50 -0.11 0.00 -0.02 0.00 0.00 31.44 27.35 1v9x n GLU 33 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1v9x s ASN 34 N -2.77 2.95 -0.44 1.62 0.01 -1.24 -4.92 114.94 110.15 1v9x s ASN 34 Ca 0.00 -0.95 -0.20 0.00 -0.71 0.00 0.00 52.86 51.00 1v9x s ASN 34 Cb 0.00 -0.20 0.03 0.00 0.41 0.00 0.00 41.25 41.49 1v9x s ASN 34 CO 0.00 -0.04 0.60 0.12 -1.51 0.00 0.00 177.10 176.27 1v9x s PHE 35 N -2.42 3.08 0.48 2.20 5.36 -1.26 -2.42 117.98 123.00 1v9x s PHE 35 Ca 0.22 -0.17 0.04 0.00 -0.96 0.00 0.00 56.93 56.06 1v9x s PHE 35 Cb -0.04 -3.27 -0.03 0.00 -0.34 0.00 0.00 43.02 39.34 1v9x s PHE 35 CO 0.09 -0.85 0.05 -0.98 -1.46 0.00 0.00 175.22 172.07 1v9x s ARG 36 N 2.67 2.14 -0.01 10.12 1.70 -1.25 -2.60 118.95 131.71 1v9x s ARG 36 Ca 0.20 -2.25 0.01 0.00 -0.47 0.00 0.00 55.73 53.22 1v9x s ARG 36 Cb -0.15 -1.64 0.01 0.00 -0.57 0.00 0.00 34.95 32.59 1v9x s ARG 36 CO 0.17 -0.28 -0.03 -0.51 -1.08 0.00 0.00 175.30 173.57 1v9x s LEU 37 N -3.87 1.76 -0.21 -1.89 1.43 0.60 -4.11 118.68 112.38 1v9x s LEU 37 Ca 0.19 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1v9x s LEU 37 Cb 0.04 -0.23 0.04 0.00 0.03 0.00 0.00 46.19 46.07 1v9x s LEU 37 CO 0.10 0.01 -0.12 -0.83 0.23 0.00 0.00 176.35 175.73 1v9x s GLY 38 N 0.24 1.40 -0.70 -3.19 0.00 -1.13 -0.10 107.32 103.85 1v9x s GLY 38 Ca -0.02 -1.37 -0.27 0.00 0.00 0.00 0.00 44.72 43.05 1v9x s GLY 38 CO -0.00 0.59 1.30 1.25 0.00 0.00 0.00 173.10 176.24 1v9x s LYS 39 N 1.29 3.22 -0.35 2.90 2.20 -0.84 -2.27 119.74 125.89 1v9x s LYS 39 Ca -0.02 -0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.22 1v9x s LYS 39 Cb -0.17 -4.16 -0.01 0.00 -1.51 0.00 0.00 37.83 31.99 1v9x s LYS 39 CO -0.08 -2.09 1.60 -0.51 -0.36 0.00 0.00 175.35 173.90 1v9x s LEU 40 N 5.80 3.59 0.18 5.43 1.43 0.70 -2.16 118.68 133.65 1v9x s LEU 40 Ca 0.39 1.14 0.11 0.00 -1.03 0.00 0.00 54.13 54.74 1v9x s LEU 40 Cb -0.08 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1v9x s LEU 40 CO 0.18 -1.52 -0.24 0.68 0.23 0.00 0.00 176.35 175.68 1v9x s VAL 41 N 5.98 2.37 -0.09 -1.59 -7.23 -1.26 -4.83 120.40 113.76 1v9x s VAL 41 Ca 0.70 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1v9x s VAL 41 Cb -0.19 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1v9x s VAL 41 CO 0.32 -0.07 -0.18 -1.10 -0.31 0.00 0.00 175.10 173.76 1v9x s GLN 42 N -2.54 2.46 0.60 4.82 -0.21 -1.26 -3.65 119.66 119.88 1v9x s GLN 42 Ca 0.19 -0.67 -0.02 0.00 0.02 0.00 0.00 55.36 54.88 1v9x s GLN 42 Cb -0.08 -1.94 0.04 0.00 1.00 0.00 0.00 33.01 32.02 1v9x s GLN 42 CO 0.09 0.07 0.86 -1.54 -2.12 0.00 0.00 175.29 172.66 1v9x s SER 43 N 0.59 5.20 0.33 5.90 1.04 -1.26 -4.95 113.70 120.55 1v9x s SER 43 Ca -0.15 0.25 0.10 0.00 0.48 0.00 0.00 55.95 56.64 1v9x s SER 43 Cb -0.17 -1.10 1.01 0.00 0.10 0.00 0.00 66.02 65.86 1v9x s SER 43 CO 0.05 -1.25 1.60 0.00 0.98 0.00 0.00 173.24 174.61 1v9x h THR 44 N -0.16 0.09 -3.19 2.02 1.03 -2.01 -3.38 112.91 107.31 1v9x h THR 44 Ca -0.44 -0.03 -0.63 0.00 -0.01 0.00 0.00 66.41 65.30 1v9x h THR 44 Cb 1.30 0.01 -0.10 0.00 -1.07 0.00 0.00 68.15 68.28 1v9x h THR 44 CO 0.56 0.01 -0.64 -2.28 -0.01 0.00 0.00 175.52 173.17 1v9x s HIS 45 N -5.77 3.05 -0.77 0.00 5.65 -1.26 -5.07 115.29 111.11 1v9x s HIS 45 Ca -0.11 -0.01 -0.17 0.00 0.25 0.00 0.00 55.06 55.02 1v9x s HIS 45 Cb 0.31 -1.54 0.16 0.00 -1.18 0.00 0.00 32.58 30.32 1v9x s HIS 45 CO 0.78 0.50 0.82 -0.06 -0.65 0.00 0.00 174.74 176.13 1v9x s PHE 46 N -1.42 3.35 -0.30 3.88 0.40 -1.26 -4.84 117.98 117.79 1v9x s PHE 46 Ca 0.27 -1.50 0.13 0.00 -0.60 0.00 0.00 56.93 55.23 1v9x s PHE 46 Cb -0.11 -3.99 0.47 0.00 0.51 0.00 0.00 43.02 39.90 1v9x s PHE 46 CO 0.20 -1.21 1.13 -3.47 0.70 0.00 0.00 175.22 172.57 1v9x n ASP 47 N 5.38 3.42 -0.37 1.36 2.03 -1.26 -4.42 116.55 122.68 1v9x n ASP 47 Ca 0.08 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.35 1v9x n ASP 47 Cb 0.46 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1v9x n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1v9x n GLY 48 N -0.59 -0.56 3.53 0.27 0.00 -1.26 -4.92 105.19 101.66 1v9x n GLY 48 Ca 0.27 -0.72 -0.48 0.00 0.00 0.00 0.00 46.02 45.09 1v9x n GLY 48 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1v9x n ILE 49 N 0.76 1.40 -3.56 -0.61 5.41 -1.26 -4.92 119.36 116.59 1v9x n ILE 49 Ca 0.00 -0.35 -0.41 0.00 1.00 0.00 0.00 62.75 62.99 1v9x n ILE 49 Cb 0.00 -0.58 -0.07 0.00 -0.71 0.00 0.00 39.64 38.29 1v9x n ILE 49 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1v9x s MET 50 N -0.82 2.97 -0.35 0.38 -1.94 -1.24 -5.01 119.30 113.28 1v9x s MET 50 Ca 0.68 -2.46 -0.28 0.00 -1.71 0.00 0.00 55.69 51.92 1v9x s MET 50 Cb -0.87 -4.02 -0.01 0.00 2.01 0.00 0.00 34.83 31.94 1v9x s MET 50 CO 0.56 -1.22 1.70 -1.25 -0.01 0.00 0.00 175.02 174.80 1v9x s PRO 51 N 0.11 3.39 -0.71 2.03 0.04 -1.26 -4.12 135.00 134.49 1v9x s PRO 51 Ca 0.17 1.30 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 1v9x s PRO 51 Cb -0.17 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.18 1v9x s PRO 51 CO -0.05 -1.79 1.95 -1.64 0.04 0.00 0.00 177.00 175.51 1v9x s MET 52 N 5.49 2.53 -0.06 4.56 -1.94 -0.92 -4.75 119.30 124.20 1v9x s MET 52 Ca 0.75 0.36 -0.30 0.00 -1.71 0.00 0.00 55.69 54.79 1v9x s MET 52 Cb -0.20 -4.64 -0.04 0.00 2.01 0.00 0.00 34.83 31.96 1v9x s MET 52 CO 0.33 -3.05 1.41 -1.58 -0.01 0.00 0.00 175.02 172.12 1v9x s TRP 53 N 9.85 2.66 -0.09 -0.03 0.23 -1.26 -1.98 118.94 128.32 1v9x s TRP 53 Ca 0.71 0.75 -0.08 0.00 -2.03 0.00 0.00 56.10 55.45 1v9x s TRP 53 Cb -0.11 -3.66 0.03 0.00 0.03 0.00 0.00 33.47 29.76 1v9x s TRP 53 CO 0.13 -2.50 0.24 -0.80 0.96 0.00 0.00 176.95 174.98 1v9x s ASN 54 N 2.24 -0.25 0.29 2.95 0.01 0.86 -2.54 114.94 118.50 1v9x s ASN 54 Ca 0.63 0.48 -0.29 0.00 -0.71 0.00 0.00 52.86 52.97 1v9x s ASN 54 Cb -0.29 0.46 -0.14 0.00 0.41 0.00 0.00 41.25 41.70 1v9x s ASN 54 CO 0.23 -0.10 1.08 1.41 -1.51 0.00 0.00 177.10 178.22 1v9x n HIS 55 N 3.19 1.46 0.24 2.20 8.25 -1.26 -0.29 115.22 129.01 1v9x n HIS 55 Ca -0.15 0.67 0.17 0.00 -0.26 0.00 0.00 57.72 58.15 1v9x n HIS 55 Cb 0.57 -2.29 0.76 0.00 1.12 0.00 0.00 29.99 30.16 1v9x n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1v9x h ALA 56 N 2.28 1.67 0.00 -1.41 0.00 -1.77 0.54 119.26 120.58 1v9x h ALA 56 Ca -0.41 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1v9x h ALA 56 Cb 1.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1v9x h ALA 56 CO 0.62 -0.49 -1.53 0.45 0.00 0.00 0.00 179.25 178.30 1v9x n SER 57 N -3.20 0.53 0.16 0.00 2.88 -1.26 -3.12 113.62 109.60 1v9x n SER 57 Ca 0.02 0.22 0.03 0.00 -1.33 0.00 0.00 58.87 57.81 1v9x n SER 57 Cb 0.50 0.87 0.18 0.00 -0.75 0.00 0.00 64.21 65.01 1v9x n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v9x n ILE 59 N -3.43 1.49 -0.30 0.00 2.08 -0.80 -4.04 119.36 114.35 1v9x n ILE 59 Ca 0.00 0.06 0.19 0.00 0.56 0.00 0.00 62.75 63.57 1v9x n ILE 59 Cb 0.63 -2.18 0.46 0.00 -0.75 0.00 0.00 39.64 37.80 1v9x n ILE 59 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1v9x h LEU 60 N -1.00 0.52 -1.60 1.39 3.38 -1.67 0.40 115.31 116.73 1v9x h LEU 60 Ca -0.22 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1v9x h LEU 60 Cb 1.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1v9x h LEU 60 CO -0.13 0.16 0.10 0.07 0.09 0.00 0.00 178.44 178.73 1v9x h LYS 61 N 0.49 0.35 0.00 1.13 5.09 -1.69 -3.43 116.57 118.52 1v9x h LYS 61 Ca 0.55 -0.04 -0.20 0.00 0.09 0.00 0.00 60.65 61.06 1v9x h LYS 61 Cb 1.24 -0.07 0.09 0.00 0.10 0.00 0.00 32.23 33.58 1v9x h LYS 61 CO -0.28 0.30 0.14 1.63 -2.09 0.00 0.00 179.45 179.15 1v9x n LYS 62 N -4.43 -1.19 -4.31 0.07 5.02 0.14 -5.10 118.16 108.36 1v9x n LYS 62 Ca 0.01 -0.91 -0.18 0.00 -2.02 0.00 0.00 58.31 55.21 1v9x n LYS 62 Cb 0.13 -0.70 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 1v9x n LYS 62 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v9x s THR 63 N -2.19 1.60 -1.28 -0.18 2.01 -1.26 -4.83 115.64 109.51 1v9x s THR 63 Ca 0.35 -2.10 -0.03 0.00 0.31 0.00 0.00 61.69 60.22 1v9x s THR 63 Cb -0.02 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1v9x s THR 63 CO 0.25 -0.57 0.70 0.29 -0.69 0.00 0.00 174.62 174.60 1v9x n LYS 64 N -0.17 -4.07 -0.04 4.92 5.02 -1.07 -4.92 118.16 117.83 1v9x n LYS 64 Ca -0.10 0.59 -0.09 0.00 -2.02 0.00 0.00 58.31 56.69 1v9x n LYS 64 Cb 0.60 -5.01 -0.03 0.00 -0.02 0.00 0.00 35.03 30.56 1v9x n LYS 64 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1v9x n GLN 65 N -4.20 0.21 -5.15 1.97 1.13 -1.24 -4.72 117.38 105.38 1v9x n GLN 65 Ca -0.26 0.09 -0.30 0.00 -1.94 0.00 0.00 57.00 54.59 1v9x n GLN 65 Cb 0.66 -0.86 -0.16 0.00 0.11 0.00 0.00 30.24 30.00 1v9x n GLN 65 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1v9x s ILE 66 N -2.22 2.04 -0.21 5.09 1.01 -1.26 -5.00 121.20 120.66 1v9x s ILE 66 Ca -0.13 -1.19 -0.21 0.00 0.00 0.00 0.00 60.65 59.12 1v9x s ILE 66 Cb 0.05 -1.71 -0.19 0.00 0.01 0.00 0.00 42.46 40.61 1v9x s ILE 66 CO 0.18 0.50 0.21 1.17 0.00 0.00 0.00 174.94 176.99 1v9x n LYS 67 N 2.22 0.58 -3.69 2.79 4.81 -1.26 -4.03 118.16 119.58 1v9x n LYS 67 Ca -0.16 0.55 -0.14 0.00 -0.87 0.00 0.00 58.31 57.69 1v9x n LYS 67 Cb 0.51 -1.74 -0.07 0.00 0.02 0.00 0.00 35.03 33.75 1v9x n LYS 67 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1v9x s SER 68 N -6.88 -0.30 0.67 3.14 0.15 -1.26 -4.72 113.70 104.49 1v9x s SER 68 Ca -0.29 0.17 0.35 0.00 0.70 0.00 0.00 55.95 56.88 1v9x s SER 68 Cb 0.06 0.39 1.92 0.00 -1.71 0.00 0.00 66.02 66.68 1v9x s SER 68 CO 0.60 -0.55 2.09 -0.37 1.20 0.00 0.00 173.24 176.21 1v9x h VAL 69 N 3.43 0.02 0.00 4.45 -1.51 -1.94 0.20 116.25 120.90 1v9x h VAL 69 Ca -0.30 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.10 1v9x h VAL 69 Cb 1.18 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 1v9x h VAL 69 CO 0.41 0.00 -0.35 -0.78 -1.23 0.00 0.00 177.57 175.62 1v9x h ASP 70 N 0.00 0.00 1.26 4.19 3.58 -2.01 -2.40 116.42 121.04 1v9x h ASP 70 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1v9x h ASP 70 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1v9x h ASP 70 CO -0.00 0.35 0.00 0.47 -2.88 0.00 0.00 179.24 177.18 1v9x n ASP 71 N -3.72 0.76 -4.70 2.28 8.00 0.69 -4.73 116.55 115.13 1v9x n ASP 71 Ca -0.01 0.60 -0.39 0.00 0.71 0.00 0.00 54.79 55.70 1v9x n ASP 71 Cb 0.44 -0.79 -0.06 0.00 -0.02 0.00 0.00 41.12 40.70 1v9x n ASP 71 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1v9x s VAL 72 N -3.16 5.10 0.39 2.53 1.01 -0.90 -3.01 120.40 122.36 1v9x s VAL 72 Ca 0.09 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1v9x s VAL 72 Cb 0.12 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1v9x s VAL 72 CO 0.54 0.23 0.63 -0.70 0.00 0.00 0.00 175.10 175.80 1v9x s GLU 73 N 1.15 3.52 -1.15 2.72 2.12 -0.51 -4.13 118.70 122.42 1v9x s GLU 73 Ca 0.29 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1v9x s GLU 73 Cb -0.16 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.67 1v9x s GLU 73 CO 0.12 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1v9x n GLY 74 N -1.86 0.64 0.12 -1.50 0.00 -1.26 0.47 105.19 101.81 1v9x n GLY 74 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1v9x n GLY 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1v9x h ILE 75 N 0.00 1.49 0.00 -0.61 2.10 -1.72 -2.90 117.51 115.87 1v9x h ILE 75 Ca -0.25 -2.36 0.00 0.00 1.08 0.00 0.00 64.86 63.34 1v9x h ILE 75 Cb 0.88 2.27 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 1v9x h ILE 75 CO 0.34 0.67 0.00 1.05 -1.08 0.00 0.00 178.15 179.13 1v9x h GLU 76 N 0.01 0.00 0.00 2.19 4.11 -1.89 -2.20 114.58 116.80 1v9x h GLU 76 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1v9x h GLU 76 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1v9x h GLU 76 CO 0.09 0.00 -0.65 1.03 0.07 0.00 0.00 179.01 179.55 1v9x h SER 77 N 0.00 0.00 -4.15 3.06 0.87 -1.85 -3.47 113.55 108.01 1v9x h SER 77 Ca 0.00 -0.03 -0.50 0.00 -1.23 0.00 0.00 61.79 60.03 1v9x h SER 77 Cb 0.37 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.40 1v9x h SER 77 CO 0.00 0.02 0.39 -0.76 -0.53 0.00 0.00 176.83 175.95 1v9x s LEU 78 N -5.38 3.57 0.51 2.23 1.43 -0.83 -4.98 118.68 115.23 1v9x s LEU 78 Ca 0.03 1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 54.87 1v9x s LEU 78 Cb 0.09 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.70 1v9x s LEU 78 CO 0.74 -1.26 1.35 -0.13 0.23 0.00 0.00 176.35 177.28 1v9x s ARG 79 N -3.78 3.36 0.15 1.70 0.52 -1.26 -4.58 118.95 115.06 1v9x s ARG 79 Ca 0.67 2.22 -0.27 0.00 -0.52 0.00 0.00 55.73 57.83 1v9x s ARG 79 Cb -0.19 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 1v9x s ARG 79 CO 0.34 -1.01 1.37 1.87 0.02 0.00 0.00 175.30 177.89 1v9x n TRP 80 N -0.74 -0.35 -0.30 -0.53 -0.00 -1.26 0.11 117.44 114.37 1v9x n TRP 80 Ca 0.09 1.11 0.13 0.00 -0.00 0.00 0.00 57.50 58.83 1v9x n TRP 80 Cb 0.45 -0.59 0.31 0.00 -0.00 0.00 0.00 31.31 31.47 1v9x n TRP 80 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 1v9x h GLU 81 N 0.00 0.32 0.37 5.87 4.11 -2.00 -0.51 114.58 122.74 1v9x h GLU 81 Ca 0.16 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 1v9x h GLU 81 Cb 0.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1v9x h GLU 81 CO -0.84 0.21 -0.18 -0.44 0.07 0.00 0.00 179.01 177.83 1v9x h ASP 82 N 0.33 -0.42 -0.58 3.06 3.32 0.47 -2.43 116.42 120.16 1v9x h ASP 82 Ca 0.56 -0.09 0.17 0.00 0.02 0.00 0.00 57.03 57.68 1v9x h ASP 82 Cb 1.10 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1v9x h ASP 82 CO -0.57 -0.15 0.50 1.56 -1.72 0.00 0.00 179.24 178.86 1v9x h GLN 83 N -0.70 0.00 -0.11 3.56 4.20 0.31 0.12 115.11 122.49 1v9x h GLN 83 Ca -0.05 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.42 1v9x h GLN 83 Cb 0.49 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.29 1v9x h GLN 83 CO 0.08 0.00 -0.85 1.96 -0.67 0.00 0.00 178.83 179.36 1v9x h GLN 84 N 0.00 0.76 0.00 1.46 1.08 -0.81 -2.90 115.11 114.70 1v9x h GLN 84 Ca 0.27 -0.68 -0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1v9x h GLN 84 Cb 1.27 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.86 1v9x h GLN 84 CO -0.00 1.27 -0.00 0.87 -0.95 0.00 0.00 178.83 180.02 1v9x h LYS 85 N 0.48 0.00 0.00 1.46 1.57 -0.30 0.82 116.57 120.60 1v9x h LYS 85 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1v9x h LYS 85 Cb 1.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1v9x h LYS 85 CO 0.17 0.00 -0.08 0.82 -0.57 0.00 0.00 179.45 179.80 1v9x h ILE 86 N 0.00 0.00 -0.89 1.86 1.08 -1.42 -3.27 117.51 114.87 1v9x h ILE 86 Ca -0.00 -0.57 0.13 0.00 -0.39 0.00 0.00 64.86 64.03 1v9x h ILE 86 Cb 0.01 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.69 1v9x h ILE 86 CO 0.00 0.00 0.57 0.08 -0.69 0.00 0.00 178.15 178.11 1v9x h ARG 87 N -0.57 0.73 0.00 2.37 0.11 -1.45 0.51 114.38 116.09 1v9x h ARG 87 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1v9x h ARG 87 Cb 0.08 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 30.99 1v9x h ARG 87 CO 0.00 0.48 0.00 1.63 0.10 0.00 0.00 179.97 182.18 1v9x n LYS 88 N -4.56 0.64 -0.06 0.08 4.76 0.27 -2.13 118.16 117.17 1v9x n LYS 88 Ca 0.17 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.53 1v9x n LYS 88 Cb 0.42 -1.44 -0.05 0.00 -1.84 0.00 0.00 35.03 32.11 1v9x n LYS 88 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1v9x n TYR 89 N -0.94 0.00 0.00 2.13 4.19 0.17 -4.17 117.16 118.54 1v9x n TYR 89 Ca 0.14 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.26 1v9x n TYR 89 Cb 0.06 -0.44 0.06 0.00 0.49 0.00 0.00 39.34 39.52 1v9x n TYR 89 CO 0.00 0.00 0.00 -0.39 0.91 0.00 0.00 176.86 177.38 1v9x h VAL 90 N -0.01 1.32 -0.08 2.97 -1.51 -1.15 -3.25 116.25 114.53 1v9x h VAL 90 Ca -0.26 -1.77 -0.07 0.00 -1.23 0.00 0.00 66.70 63.37 1v9x h VAL 90 Cb 1.39 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 1v9x h VAL 90 CO -0.04 0.55 -0.24 -0.33 -1.23 0.00 0.00 177.57 176.28 1v9x h GLU 91 N 0.43 0.31 0.00 5.19 4.39 -1.69 -3.35 114.58 119.86 1v9x h GLU 91 Ca 0.01 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.43 1v9x h GLU 91 Cb 1.07 0.04 0.04 0.00 -0.10 0.00 0.00 28.75 29.79 1v9x h GLU 91 CO 0.10 0.84 -0.03 0.45 -1.16 0.00 0.00 179.01 179.21 1v9x n SER 92 N -4.50 -1.81 -0.84 1.42 2.88 -1.23 -4.73 113.62 104.82 1v9x n SER 92 Ca -0.08 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1v9x n SER 92 Cb 0.45 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1v9x n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v9x n GLY 93 N -0.67 1.77 0.03 0.46 0.00 -1.26 -4.05 105.19 101.48 1v9x n GLY 93 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1v9x n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v9x h ALA 94 N 1.99 0.00 0.00 4.61 0.00 -1.84 -3.49 119.26 120.53 1v9x h ALA 94 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1v9x h ALA 94 Cb 0.81 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1v9x h ALA 94 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1v9x n GLY 95 N 1.76 0.51 2.98 0.00 0.00 -1.25 -3.82 105.19 105.37 1v9x n GLY 95 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1v9x n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v9x n SER 96 N -3.56 -1.07 -3.90 1.61 3.41 -1.26 -2.61 113.62 106.24 1v9x n SER 96 Ca 0.00 -1.38 -0.09 0.00 -0.26 0.00 0.00 58.87 57.14 1v9x n SER 96 Cb 0.00 1.69 -0.04 0.00 -0.26 0.00 0.00 64.21 65.59 1v9x n SER 96 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1v9x s ASN 97 N -3.03 -0.06 0.24 4.04 3.84 -1.26 -4.96 114.94 113.74 1v9x s ASN 97 Ca 0.21 -0.92 -0.21 0.00 0.21 0.00 0.00 52.86 52.15 1v9x s ASN 97 Cb -0.01 0.62 -0.14 0.00 -0.55 0.00 0.00 41.25 41.17 1v9x s ASN 97 CO 0.01 -1.20 0.28 0.41 -2.79 0.00 0.00 177.10 173.81 1v9x n THR 98 N -0.41 1.18 -3.37 -5.21 -1.04 -1.26 -4.97 114.28 99.20 1v9x n THR 98 Ca -0.02 -0.42 -0.10 0.00 -2.04 0.00 0.00 64.05 61.47 1v9x n THR 98 Cb 0.61 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.04 1v9x n THR 98 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1v9x s SER 99 N -0.84 0.28 -0.19 8.00 0.01 -1.26 -5.13 113.70 114.57 1v9x s SER 99 Ca 0.52 0.23 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1v9x s SER 99 Cb -0.67 1.09 0.05 0.00 0.21 0.00 0.00 66.02 66.69 1v9x s SER 99 CO 0.49 -0.30 -0.07 0.42 0.41 0.00 0.00 173.24 174.20 1v9x s THR 100 N 2.54 1.40 0.28 1.44 -4.23 -1.26 -5.10 115.64 110.70 1v9x s THR 100 Ca 0.12 -0.91 -0.19 0.00 -1.18 0.00 0.00 61.69 59.54 1v9x s THR 100 Cb -0.15 -1.56 0.07 0.00 1.34 0.00 0.00 72.50 72.19 1v9x s THR 100 CO -0.15 0.09 0.93 -0.44 -0.54 0.00 0.00 174.62 174.51 1v9x s SER 101 N 1.49 0.02 -0.17 3.99 0.01 -1.26 -5.15 113.70 112.63 1v9x s SER 101 Ca -0.01 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1v9x s SER 101 Cb -0.16 0.67 0.04 0.00 0.21 0.00 0.00 66.02 66.77 1v9x s SER 101 CO -0.08 -1.33 -0.09 0.42 0.41 0.00 0.00 173.24 172.57 1v9x s THR 102 N -2.13 1.38 0.73 1.44 -4.23 -1.26 -4.88 115.64 106.69 1v9x s THR 102 Ca 0.20 -0.71 -0.17 0.00 -1.18 0.00 0.00 61.69 59.82 1v9x s THR 102 Cb -0.04 -1.44 -0.12 0.00 1.34 0.00 0.00 72.50 72.24 1v9x s THR 102 CO 0.08 0.24 -0.19 0.61 -0.54 0.00 0.00 174.62 174.83 1v9x n GLY 103 N 4.80 -3.28 0.13 3.99 0.00 -1.26 -4.95 105.19 104.62 1v9x n GLY 103 Ca -0.14 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1v9x n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1v9x n THR 104 N -2.11 1.53 -3.38 2.61 -2.24 -1.26 -4.96 114.28 104.47 1v9x n THR 104 Ca 0.05 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 1v9x n THR 104 Cb 0.51 -1.91 -0.08 0.00 -2.10 0.00 0.00 70.33 66.75 1v9x n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1v9x s SER 105 N -7.33 0.20 0.27 3.42 0.15 -1.26 -5.16 113.70 103.99 1v9x s SER 105 Ca -0.36 0.30 0.07 0.00 0.70 0.00 0.00 55.95 56.66 1v9x s SER 105 Cb 0.13 1.13 -0.06 0.00 -1.71 0.00 0.00 66.02 65.51 1v9x s SER 105 CO 0.52 -0.29 -0.09 0.42 1.20 0.00 0.00 173.24 175.00 1v9x s THR 106 N 2.55 1.76 0.13 6.45 -4.23 -1.26 -5.08 115.64 115.96 1v9x s THR 106 Ca 0.11 -2.16 0.07 0.00 -1.18 0.00 0.00 61.69 58.52 1v9x s THR 106 Cb -0.15 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1v9x s THR 106 CO -0.15 -0.35 -0.15 -0.44 -0.54 0.00 0.00 174.62 172.98 1v9x s SER 107 N -3.44 2.18 0.22 3.99 0.01 -1.26 -5.16 113.70 110.24 1v9x s SER 107 Ca 0.28 -0.81 -0.14 0.00 1.31 0.00 0.00 55.95 56.59 1v9x s SER 107 Cb 0.02 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.17 1v9x s SER 107 CO 0.11 -0.10 0.47 -0.55 0.41 0.00 0.00 173.24 173.58 1v9x s SER 108 N -2.44 -0.14 0.16 2.44 0.15 -1.26 -4.71 113.70 107.90 1v9x s SER 108 Ca 0.10 -0.74 -0.14 0.00 0.70 0.00 0.00 55.95 55.87 1v9x s SER 108 Cb -0.06 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1v9x s SER 108 CO 0.04 -1.08 0.39 -0.55 1.20 0.00 0.00 173.24 173.25 1v9x s SER 109 N -2.95 -0.12 0.00 5.45 0.15 -1.26 -5.00 113.70 109.97 1v9x s SER 109 Ca 0.16 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1v9x s SER 109 Cb -0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1v9x s SER 109 CO 0.03 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.14 1v9x n GLY 110 N -0.26 1.26 3.22 9.45 0.00 -1.26 -5.04 105.19 112.57 1v9x n GLY 110 Ca -0.10 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 1v9x n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v9x n PRO 111 N 0.00 -2.97 -0.11 1.61 -0.04 -1.26 -4.97 135.00 127.26 1v9x n PRO 111 Ca 0.00 -1.61 -0.11 0.00 -0.04 0.00 0.00 63.50 61.74 1v9x n PRO 111 Cb 0.00 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 1v9x n PRO 111 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1v9x h SER 112 N -2.58 0.59 -2.72 3.54 0.02 -2.10 -3.44 113.55 106.86 1v9x h SER 112 Ca -0.38 -0.35 -0.47 0.00 -0.84 0.00 0.00 61.79 59.75 1v9x h SER 112 Cb 1.16 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.54 1v9x h SER 112 CO 0.25 0.80 -0.21 -0.55 -1.14 0.00 0.00 176.83 175.98 1v9x s SER 113 N -6.17 6.26 0.00 3.07 0.15 -1.26 -5.36 113.70 110.39 1v9x s SER 113 Ca -0.13 0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1v9x s SER 113 Cb 0.08 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1v9x s SER 113 CO 0.78 -0.31 0.42 0.61 1.20 0.00 0.00 173.24 175.94