#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v9x n SER 2 N 0.00 1.33 -1.81 1.61 7.64 -1.26 -4.77 113.62 116.36 1v9x n SER 2 Ca 0.00 0.58 -0.10 0.00 1.01 0.00 0.00 58.87 60.36 1v9x n SER 2 Cb 0.00 -1.05 -0.02 0.00 -1.01 0.00 0.00 64.21 62.13 1v9x n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1v9x n SER 3 N 8.39 5.81 0.00 6.43 3.41 -1.26 -4.75 113.62 131.66 1v9x n SER 3 Ca 0.49 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1v9x n SER 3 Cb 0.07 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1v9x n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v9x n GLY 4 N 1.22 1.89 2.97 5.00 0.00 -1.26 -5.08 105.19 109.93 1v9x n GLY 4 Ca 0.21 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1v9x n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v9x s SER 5 N 0.41 4.44 -0.28 1.61 1.04 -1.26 -5.05 113.70 114.60 1v9x s SER 5 Ca 0.00 -2.88 -0.18 0.00 0.48 0.00 0.00 55.95 53.37 1v9x s SER 5 Cb 0.00 -1.65 0.10 0.00 0.10 0.00 0.00 66.02 64.57 1v9x s SER 5 CO 0.00 -0.26 0.81 -0.55 0.98 0.00 0.00 173.24 174.22 1v9x s SER 6 N -0.06 -0.75 -0.37 7.02 0.15 -1.26 -5.13 113.70 113.30 1v9x s SER 6 Ca 0.16 1.24 0.03 0.00 0.70 0.00 0.00 55.95 58.09 1v9x s SER 6 Cb -0.25 1.30 0.10 0.00 -1.71 0.00 0.00 66.02 65.47 1v9x s SER 6 CO -0.01 -0.20 0.09 -0.83 1.20 0.00 0.00 173.24 173.49 1v9x s GLY 7 N 1.26 2.01 0.50 9.45 0.00 -1.26 -5.09 107.32 114.19 1v9x s GLY 7 Ca -0.07 -2.63 -0.21 0.00 0.00 0.00 0.00 44.72 41.80 1v9x s GLY 7 CO -0.15 0.96 0.94 1.42 0.00 0.00 0.00 173.10 176.28 1v9x n HIS 8 N 4.14 0.86 -3.09 1.90 -0.00 -1.26 -4.95 115.22 112.82 1v9x n HIS 8 Ca 0.04 0.50 -0.37 0.00 -0.00 0.00 0.00 57.72 57.89 1v9x n HIS 8 Cb 0.41 -2.17 -0.06 0.00 -0.00 0.00 0.00 29.99 28.17 1v9x n HIS 8 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1v9x s LYS 9 N -2.29 4.29 0.25 -0.41 1.02 -1.26 -4.98 119.74 116.36 1v9x s LYS 9 Ca 0.68 0.91 0.03 0.00 0.02 0.00 0.00 55.97 57.61 1v9x s LYS 9 Cb -0.49 -2.94 0.32 0.00 -0.52 0.00 0.00 37.83 34.19 1v9x s LYS 9 CO 0.53 0.43 1.63 -1.00 -0.92 0.00 0.00 175.35 176.02 1v9x h PRO 10 N 3.58 0.37 -6.85 -1.68 0.13 -1.85 -3.44 132.00 122.27 1v9x h PRO 10 Ca -0.48 -0.20 -0.69 0.00 -0.87 0.00 0.00 66.00 63.77 1v9x h PRO 10 Cb 1.20 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 1v9x h PRO 10 CO 0.65 0.75 -0.87 -1.58 -0.23 0.00 0.00 178.00 176.72 1v9x s TRP 11 N -4.11 2.32 0.15 1.56 0.52 -1.20 0.07 118.94 118.25 1v9x s TRP 11 Ca -0.06 -0.38 0.10 0.00 0.02 0.00 0.00 56.10 55.77 1v9x s TRP 11 Cb 0.13 -1.30 -0.04 0.00 -1.15 0.00 0.00 33.47 31.11 1v9x s TRP 11 CO 0.80 0.27 -0.22 -0.98 0.02 0.00 0.00 176.95 176.84 1v9x s ARG 12 N -1.80 1.32 -0.08 4.98 1.70 -1.04 -0.84 118.95 123.19 1v9x s ARG 12 Ca 0.13 -1.36 -0.00 0.00 -0.47 0.00 0.00 55.73 54.03 1v9x s ARG 12 Cb -0.10 -1.57 0.02 0.00 -0.57 0.00 0.00 34.95 32.73 1v9x s ARG 12 CO 0.05 0.35 -0.05 0.00 -1.08 0.00 0.00 175.30 174.57 1v9x s ALA 13 N -1.55 0.95 -0.22 7.88 0.00 -0.04 -3.07 121.76 125.71 1v9x s ALA 13 Ca 0.14 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 1v9x s ALA 13 Cb -0.08 -0.71 0.15 0.00 0.00 0.00 0.00 23.12 22.48 1v9x s ALA 13 CO 0.07 -0.29 1.14 -1.83 0.00 0.00 0.00 175.76 174.84 1v9x s GLU 14 N 1.53 0.39 -0.00 0.00 -1.05 -1.26 -4.22 118.70 114.09 1v9x s GLU 14 Ca -0.00 0.16 -0.30 0.00 -0.15 0.00 0.00 54.97 54.68 1v9x s GLU 14 Cb -0.13 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 1v9x s GLU 14 CO -0.04 -0.11 1.00 0.71 0.95 0.00 0.00 175.26 177.77 1v9x s TYR 15 N -0.80 3.62 0.70 4.83 2.02 -1.26 -3.89 117.35 122.57 1v9x s TYR 15 Ca 0.03 1.65 -0.16 0.00 -0.37 0.00 0.00 57.07 58.21 1v9x s TYR 15 Cb -0.02 -3.16 -0.01 0.00 -0.40 0.00 0.00 41.96 38.37 1v9x s TYR 15 CO -0.04 -0.16 0.88 0.00 -1.57 0.00 0.00 175.55 174.67 1v9x n ALA 16 N 4.01 -0.40 0.50 3.71 0.00 -1.11 -4.75 120.51 122.47 1v9x n ALA 16 Ca 0.07 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.40 1v9x n ALA 16 Cb 0.50 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.47 3.42 -3.77 0.00 4.01 -1.26 -1.51 118.16 117.58 1v9x n LYS 17 Ca 0.13 -0.03 -0.10 0.00 -0.51 0.00 0.00 58.31 57.80 1v9x n LYS 17 Cb 0.49 -1.01 -0.04 0.00 -0.51 0.00 0.00 35.03 33.96 1v9x n LYS 17 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1v9x s SER 18 N -1.98 -0.19 -0.51 4.39 0.01 -1.26 -4.83 113.70 109.32 1v9x s SER 18 Ca 0.04 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1v9x s SER 18 Cb 0.08 0.54 0.60 0.00 0.21 0.00 0.00 66.02 67.44 1v9x s SER 18 CO 0.43 -1.00 1.94 -1.20 0.41 0.00 0.00 173.24 173.82 1v9x n SER 19 N -0.30 4.95 0.04 2.44 7.64 -1.26 -3.31 113.62 123.82 1v9x n SER 19 Ca -0.10 -3.67 -0.22 0.00 1.01 0.00 0.00 58.87 55.88 1v9x n SER 19 Cb 0.63 -0.87 -0.14 0.00 -1.01 0.00 0.00 64.21 62.81 1v9x n SER 19 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1v9x h ARG 20 N 1.32 0.33 -7.27 1.43 2.47 -1.97 -3.43 114.38 107.26 1v9x h ARG 20 Ca 0.62 -0.56 -0.50 0.00 -1.26 0.00 0.00 59.98 58.27 1v9x h ARG 20 Cb 2.19 0.21 0.18 0.00 -1.65 0.00 0.00 29.97 30.90 1v9x h ARG 20 CO 1.24 1.27 0.21 -1.54 0.56 0.00 0.00 179.97 181.71 1v9x s SER 21 N -7.17 2.94 -0.09 7.04 1.04 -1.26 -4.90 113.70 111.30 1v9x s SER 21 Ca -0.19 1.91 -0.05 0.00 0.48 0.00 0.00 55.95 58.10 1v9x s SER 21 Cb 0.06 -2.46 0.04 0.00 0.10 0.00 0.00 66.02 63.76 1v9x s SER 21 CO 0.81 -3.04 0.21 -0.44 0.98 0.00 0.00 173.24 171.75 1v9x s SER 22 N -2.88 -0.21 0.94 7.02 0.01 -1.26 -2.00 113.70 115.33 1v9x s SER 22 Ca 0.66 0.43 -0.11 0.00 1.31 0.00 0.00 55.95 58.24 1v9x s SER 22 Cb -0.21 0.35 0.14 0.00 0.21 0.00 0.00 66.02 66.51 1v9x s SER 22 CO 0.59 -0.14 1.03 0.00 0.41 0.00 0.00 173.24 175.13 1v9x n LYS 24 N -3.94 1.48 0.13 0.00 4.76 -1.14 -2.70 118.16 116.75 1v9x n LYS 24 Ca 0.11 -0.05 -0.01 0.00 -2.87 0.00 0.00 58.31 55.49 1v9x n LYS 24 Cb 0.52 -1.26 0.13 0.00 -1.84 0.00 0.00 35.03 32.58 1v9x n LYS 24 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1v9x h THR 25 N 0.00 1.35 0.00 -0.18 2.02 -1.93 -3.32 112.91 110.84 1v9x h THR 25 Ca -0.15 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.72 1v9x h THR 25 Cb 1.13 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1v9x h THR 25 CO 0.01 0.63 0.00 0.00 0.37 0.00 0.00 175.52 176.53 1v9x n LYS 27 N -0.66 -7.39 -4.12 0.00 4.01 -1.10 -4.99 118.16 103.90 1v9x n LYS 27 Ca 0.00 0.78 -0.27 0.00 -0.51 0.00 0.00 58.31 58.31 1v9x n LYS 27 Cb 0.01 -5.80 -0.04 0.00 -0.51 0.00 0.00 35.03 28.69 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 -3.30 4.49 0.04 4.39 0.01 -1.23 -4.84 113.70 113.25 1v9x s SER 28 Ca 0.60 -1.25 -0.20 0.00 1.31 0.00 0.00 55.95 56.42 1v9x s SER 28 Cb -0.28 0.10 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 1v9x s SER 28 CO 0.75 -0.85 0.58 -0.69 0.41 0.00 0.00 173.24 173.43 1v9x s VAL 29 N -2.72 4.82 -0.80 3.43 1.01 -1.26 0.12 120.40 125.00 1v9x s VAL 29 Ca 0.31 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.41 1v9x s VAL 29 Cb 0.00 -3.91 0.21 0.00 0.00 0.00 0.00 36.38 32.69 1v9x s VAL 29 CO 0.18 0.49 0.71 -0.63 0.00 0.00 0.00 175.10 175.86 1v9x s ILE 30 N -0.69 5.14 0.59 2.22 1.01 -0.85 -4.82 121.20 123.81 1v9x s ILE 30 Ca 0.30 -2.70 -0.19 0.00 0.00 0.00 0.00 60.65 58.06 1v9x s ILE 30 Cb -0.19 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1v9x s ILE 30 CO 0.18 -1.00 1.14 0.59 0.00 0.00 0.00 174.94 175.84 1v9x n ASN 31 N 3.72 1.56 -4.66 3.58 4.13 -1.26 -4.26 115.26 118.06 1v9x n ASN 31 Ca 0.13 0.86 -0.30 0.00 1.68 0.00 0.00 54.58 56.95 1v9x n ASN 31 Cb 0.44 -1.47 0.17 0.00 -1.54 0.00 0.00 39.78 37.37 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 -2.90 0.89 -0.73 3.52 -2.85 -1.21 -3.57 119.74 112.89 1v9x s LYS 32 Ca 0.76 1.26 0.00 0.00 -1.00 0.00 0.00 55.97 56.99 1v9x s LYS 32 Cb -0.42 -1.73 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 1v9x s LYS 32 CO 0.46 -2.62 0.00 0.39 0.10 0.00 0.00 175.35 173.68 1v9x n GLU 33 N -4.20 -0.57 -4.68 1.78 1.02 -0.57 -4.91 120.64 108.51 1v9x n GLU 33 Ca 0.09 0.57 -0.27 0.00 -0.02 0.00 0.00 57.16 57.54 1v9x n GLU 33 Cb 0.53 -4.45 -0.14 0.00 -0.02 0.00 0.00 31.44 27.36 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 -2.79 2.64 -0.59 1.62 0.01 -1.23 -4.93 114.94 109.67 1v9x s ASN 34 Ca 0.00 -0.55 -0.27 0.00 -0.71 0.00 0.00 52.86 51.33 1v9x s ASN 34 Cb 0.00 -0.22 0.03 0.00 0.41 0.00 0.00 41.25 41.47 1v9x s ASN 34 CO 0.00 0.18 1.16 0.12 -1.51 0.00 0.00 177.10 177.04 1v9x s PHE 35 N -0.82 2.61 0.44 2.20 5.36 -1.26 -2.75 117.98 123.76 1v9x s PHE 35 Ca 0.08 0.28 0.02 0.00 -0.96 0.00 0.00 56.93 56.35 1v9x s PHE 35 Cb -0.09 -4.45 0.02 0.00 -0.34 0.00 0.00 43.02 38.16 1v9x s PHE 35 CO 0.02 -1.60 0.16 2.89 -1.46 0.00 0.00 175.22 175.23 1v9x n ARG 36 N 8.36 0.89 -3.84 10.12 1.85 -1.25 -2.63 116.66 130.15 1v9x n ARG 36 Ca 0.07 -3.01 -0.13 0.00 -1.00 0.00 0.00 57.85 53.78 1v9x n ARG 36 Cb 0.49 0.59 -0.14 0.00 -1.05 0.00 0.00 32.46 32.35 1v9x n ARG 36 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1v9x s LEU 37 N 0.00 1.72 -0.29 2.89 1.43 -0.05 -4.18 118.68 120.21 1v9x s LEU 37 Ca 0.12 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1v9x s LEU 37 Cb -0.01 0.10 0.08 0.00 0.03 0.00 0.00 46.19 46.38 1v9x s LEU 37 CO 0.08 -0.03 -0.03 -0.83 0.23 0.00 0.00 176.35 175.77 1v9x s GLY 38 N 0.21 1.62 -0.46 -3.19 0.00 -1.17 -0.59 107.32 103.73 1v9x s GLY 38 Ca -0.02 -1.93 -0.28 0.00 0.00 0.00 0.00 44.72 42.49 1v9x s GLY 38 CO -0.01 0.87 1.45 1.25 0.00 0.00 0.00 173.10 176.67 1v9x s LYS 39 N 1.14 3.43 -0.30 2.90 2.20 -0.80 -2.50 119.74 125.81 1v9x s LYS 39 Ca 0.00 0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 56.12 1v9x s LYS 39 Cb -0.19 -4.08 0.01 0.00 -1.51 0.00 0.00 37.83 32.06 1v9x s LYS 39 CO -0.08 -1.75 1.04 -0.51 -0.36 0.00 0.00 175.35 173.69 1v9x s LEU 40 N 5.88 3.98 0.01 5.43 1.43 0.11 -2.41 118.68 133.10 1v9x s LEU 40 Ca 0.60 1.07 0.08 0.00 -1.03 0.00 0.00 54.13 54.84 1v9x s LEU 40 Cb -0.13 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 1v9x s LEU 40 CO 0.30 -0.82 -0.23 0.68 0.23 0.00 0.00 176.35 176.51 1v9x s VAL 41 N 3.50 1.83 -0.25 -1.59 -7.23 -1.26 -4.76 120.40 110.64 1v9x s VAL 41 Ca 0.44 -1.11 -0.22 0.00 -1.81 0.00 0.00 61.98 59.28 1v9x s VAL 41 Cb -0.13 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 1v9x s VAL 41 CO 0.13 0.40 0.70 -1.10 -0.31 0.00 0.00 175.10 174.92 1v9x s GLN 42 N -0.84 4.12 0.39 4.82 -0.21 -1.26 -4.27 119.66 122.41 1v9x s GLN 42 Ca 0.09 0.67 0.07 0.00 0.02 0.00 0.00 55.36 56.21 1v9x s GLN 42 Cb -0.09 -3.65 -0.08 0.00 1.00 0.00 0.00 33.01 30.19 1v9x s GLN 42 CO 0.00 -0.46 -0.00 -1.12 -2.12 0.00 0.00 175.29 171.59 1v9x s SER 43 N 1.44 3.69 0.27 5.90 0.01 -1.26 -5.03 113.70 118.72 1v9x s SER 43 Ca 0.29 -1.34 -0.01 0.00 1.31 0.00 0.00 55.95 56.20 1v9x s SER 43 Cb -0.15 -0.36 0.60 0.00 0.21 0.00 0.00 66.02 66.32 1v9x s SER 43 CO 0.08 -0.42 1.68 0.74 0.41 0.00 0.00 173.24 175.73 1v9x h THR 44 N 1.85 0.44 -0.90 1.44 2.02 -1.98 -3.35 112.91 112.44 1v9x h THR 44 Ca -0.43 -0.10 -0.21 0.00 0.77 0.00 0.00 66.41 66.44 1v9x h THR 44 Cb 1.24 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1v9x h THR 44 CO 0.78 0.05 0.75 1.57 0.37 0.00 0.00 175.52 179.04 1v9x n HIS 45 N -5.15 1.27 -1.99 3.16 -0.00 -1.26 -4.91 115.22 106.34 1v9x n HIS 45 Ca 0.18 0.04 -0.32 0.00 -0.00 0.00 0.00 57.72 57.62 1v9x n HIS 45 Cb 0.57 -2.62 0.01 0.00 -0.00 0.00 0.00 29.99 27.96 1v9x n HIS 45 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 1v9x s PHE 46 N 13.62 3.05 -1.38 1.57 5.36 -1.26 -3.75 117.98 135.20 1v9x s PHE 46 Ca 0.96 1.49 -0.09 0.00 -0.96 0.00 0.00 56.93 58.33 1v9x s PHE 46 Cb -0.16 -2.97 0.02 0.00 -0.34 0.00 0.00 43.02 39.57 1v9x s PHE 46 CO 0.17 -1.08 1.17 -0.25 -1.46 0.00 0.00 175.22 173.77 1v9x n ASP 47 N -2.18 -6.29 0.00 6.13 8.00 -1.26 -4.90 116.55 116.05 1v9x n ASP 47 Ca 0.08 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1v9x n ASP 47 Cb 0.53 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.68 1v9x n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1v9x n GLY 48 N -1.99 -2.03 3.77 0.44 0.00 -1.25 -5.15 105.19 98.98 1v9x n GLY 48 Ca 0.01 0.99 -0.39 0.00 0.00 0.00 0.00 46.02 46.64 1v9x n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v9x s ILE 49 N 0.00 3.18 -0.53 -0.61 1.01 -1.26 -4.89 121.20 118.10 1v9x s ILE 49 Ca 0.00 1.03 -0.14 0.00 0.00 0.00 0.00 60.65 61.54 1v9x s ILE 49 Cb 0.00 -3.59 0.13 0.00 0.01 0.00 0.00 42.46 39.01 1v9x s ILE 49 CO 0.00 0.12 0.47 -0.32 0.00 0.00 0.00 174.94 175.21 1v9x s MET 50 N -2.16 2.88 -0.56 2.79 1.75 -1.26 -5.03 119.30 117.71 1v9x s MET 50 Ca 0.55 -1.75 -0.27 0.00 -1.25 0.00 0.00 55.69 52.97 1v9x s MET 50 Cb -0.31 -4.21 -0.02 0.00 2.84 0.00 0.00 34.83 33.13 1v9x s MET 50 CO 0.39 -1.30 1.83 -1.25 -0.65 0.00 0.00 175.02 174.05 1v9x s PRO 51 N 1.50 2.78 -0.68 4.11 0.04 -1.26 -4.32 135.00 137.17 1v9x s PRO 51 Ca 0.04 0.75 -0.26 0.00 0.04 0.00 0.00 61.00 61.57 1v9x s PRO 51 Cb -0.29 -4.34 -0.06 0.00 0.04 0.00 0.00 34.50 29.86 1v9x s PRO 51 CO 0.02 -2.54 2.10 -1.64 0.04 0.00 0.00 177.00 174.98 1v9x s MET 52 N 6.72 2.33 0.07 4.56 -1.94 -1.01 -4.80 119.30 125.22 1v9x s MET 52 Ca 0.69 0.58 -0.31 0.00 -1.71 0.00 0.00 55.69 54.94 1v9x s MET 52 Cb -0.14 -4.65 -0.06 0.00 2.01 0.00 0.00 34.83 31.99 1v9x s MET 52 CO 0.23 -3.27 1.27 -1.58 -0.01 0.00 0.00 175.02 171.66 1v9x s TRP 53 N 10.93 3.32 -0.24 -0.03 0.23 -1.26 -1.90 118.94 130.00 1v9x s TRP 53 Ca 0.79 1.15 -0.13 0.00 -2.03 0.00 0.00 56.10 55.88 1v9x s TRP 53 Cb -0.12 -3.52 0.07 0.00 0.03 0.00 0.00 33.47 29.93 1v9x s TRP 53 CO 0.15 -1.72 0.58 -0.80 0.96 0.00 0.00 176.95 176.12 1v9x s ASN 54 N 1.15 -0.78 0.18 2.95 0.01 0.24 -2.86 114.94 115.82 1v9x s ASN 54 Ca 0.61 1.27 -0.31 0.00 -0.71 0.00 0.00 52.86 53.72 1v9x s ASN 54 Cb -0.32 1.15 -0.16 0.00 0.41 0.00 0.00 41.25 42.32 1v9x s ASN 54 CO 0.29 -0.22 0.91 1.41 -1.51 0.00 0.00 177.10 177.98 1v9x n HIS 55 N 4.30 0.62 0.23 2.20 8.25 -1.26 -0.87 115.22 128.68 1v9x n HIS 55 Ca -0.21 0.83 0.12 0.00 -0.26 0.00 0.00 57.72 58.20 1v9x n HIS 55 Cb 0.57 -2.14 0.65 0.00 1.12 0.00 0.00 29.99 30.19 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 2.29 1.15 0.00 -1.41 0.00 -1.75 0.40 119.26 119.95 1v9x h ALA 56 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1v9x h ALA 56 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1v9x h ALA 56 CO 0.63 -0.15 -1.79 0.45 0.00 0.00 0.00 179.25 178.39 1v9x n SER 57 N -2.45 0.18 0.16 0.00 2.88 -1.26 -3.48 113.62 109.65 1v9x n SER 57 Ca -0.02 -0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.58 1v9x n SER 57 Cb 0.22 1.70 0.07 0.00 -0.75 0.00 0.00 64.21 65.46 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 -3.18 1.67 -0.04 0.00 2.08 -0.92 -4.18 119.36 114.80 1v9x n ILE 59 Ca 0.03 -0.42 0.07 0.00 0.56 0.00 0.00 62.75 62.99 1v9x n ILE 59 Cb 0.67 -1.84 0.45 0.00 -0.75 0.00 0.00 39.64 38.17 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 -0.36 0.44 -2.15 1.39 3.38 -1.68 0.03 115.31 116.35 1v9x h LEU 60 Ca -0.42 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1v9x h LEU 60 Cb 1.75 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 1v9x h LEU 60 CO -0.05 0.30 -0.07 0.07 0.09 0.00 0.00 178.44 178.78 1v9x h LYS 61 N 0.51 0.00 0.00 1.13 2.10 -1.70 -3.42 116.57 115.19 1v9x h LYS 61 Ca 0.20 0.00 -0.42 0.00 -2.00 0.00 0.00 60.65 58.43 1v9x h LYS 61 Cb 0.16 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 31.61 1v9x h LYS 61 CO -0.05 0.07 0.23 1.63 -2.00 0.00 0.00 179.45 179.33 1v9x n LYS 62 N -3.63 -0.57 -4.54 0.07 5.02 -0.01 -4.63 118.16 109.88 1v9x n LYS 62 Ca -0.02 -2.26 -0.26 0.00 -2.02 0.00 0.00 58.31 53.75 1v9x n LYS 62 Cb 0.18 -0.90 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 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 -3.23 2.20 -1.48 -0.18 2.01 -1.26 -4.13 115.64 109.57 1v9x s THR 63 Ca 0.65 -2.20 -0.04 0.00 0.31 0.00 0.00 61.69 60.42 1v9x s THR 63 Cb -0.03 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.88 1v9x s THR 63 CO 0.44 -0.21 0.45 0.29 -0.69 0.00 0.00 174.62 174.90 1v9x n LYS 64 N -0.78 -3.03 -0.11 4.92 5.02 -1.26 -4.88 118.16 118.04 1v9x n LYS 64 Ca -0.05 0.36 -0.23 0.00 -2.02 0.00 0.00 58.31 56.38 1v9x n LYS 64 Cb 0.64 -4.54 -0.08 0.00 -0.02 0.00 0.00 35.03 31.03 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 -4.42 0.48 -4.58 1.97 1.13 -1.26 -5.02 117.38 105.67 1v9x n GLN 65 Ca -0.24 0.21 -0.25 0.00 -1.94 0.00 0.00 57.00 54.78 1v9x n GLN 65 Cb 0.65 -1.31 -0.14 0.00 0.11 0.00 0.00 30.24 29.55 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 -2.45 1.65 -0.15 5.09 1.01 -1.26 -5.03 121.20 120.07 1v9x s ILE 66 Ca -0.31 -1.23 -0.17 0.00 0.00 0.00 0.00 60.65 58.93 1v9x s ILE 66 Cb 0.11 -1.44 -0.24 0.00 0.01 0.00 0.00 42.46 40.90 1v9x s ILE 66 CO 0.40 0.16 0.41 0.50 0.00 0.00 0.00 174.94 176.41 1v9x h LYS 67 N 4.77 0.15 -2.10 2.79 1.63 -1.95 -3.44 116.57 118.41 1v9x h LYS 67 Ca -0.43 -0.25 0.06 0.00 -0.85 0.00 0.00 60.65 59.18 1v9x h LYS 67 Cb 1.16 0.09 -0.18 0.00 -0.60 0.00 0.00 32.23 32.71 1v9x h LYS 67 CO 0.43 1.12 0.42 0.45 -3.45 0.00 0.00 179.45 178.42 1v9x s SER 68 N -6.92 -0.44 0.46 4.20 0.15 -1.26 -4.80 113.70 105.08 1v9x s SER 68 Ca -0.23 0.25 0.25 0.00 0.70 0.00 0.00 55.95 56.92 1v9x s SER 68 Cb 0.05 0.41 1.28 0.00 -1.71 0.00 0.00 66.02 66.06 1v9x s SER 68 CO 0.70 -0.58 1.81 -0.37 1.20 0.00 0.00 173.24 176.00 1v9x h VAL 69 N 2.35 0.51 -0.30 4.45 -1.51 -1.94 0.50 116.25 120.31 1v9x h VAL 69 Ca -0.23 -0.08 0.06 0.00 -1.23 0.00 0.00 66.70 65.22 1v9x h VAL 69 Cb 1.21 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1v9x h VAL 69 CO 0.33 0.04 0.21 -0.78 -1.23 0.00 0.00 177.57 176.14 1v9x h ASP 70 N 0.23 0.12 1.21 4.19 3.58 -2.01 0.98 116.42 124.71 1v9x h ASP 70 Ca 0.55 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.96 1v9x h ASP 70 Cb 1.72 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 1v9x h ASP 70 CO -0.16 0.08 -0.19 0.44 -2.88 0.00 0.00 179.24 176.52 1v9x h ASP 71 N 0.13 0.00 -3.38 2.28 5.19 -0.38 -3.43 116.42 116.82 1v9x h ASP 71 Ca 0.14 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.99 1v9x h ASP 71 Cb 0.38 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 1v9x h ASP 71 CO -0.02 0.19 0.14 -0.69 -3.12 0.00 0.00 179.24 175.75 1v9x s VAL 72 N -3.47 4.95 0.51 -1.35 1.01 0.34 -3.27 120.40 119.11 1v9x s VAL 72 Ca 0.02 1.57 -0.00 0.00 0.00 0.00 0.00 61.98 63.58 1v9x s VAL 72 Cb 0.09 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1v9x s VAL 72 CO 0.64 0.27 0.74 -0.70 0.00 0.00 0.00 175.10 176.05 1v9x s GLU 73 N 0.61 2.83 -0.13 2.72 2.12 -0.02 -4.20 118.70 122.63 1v9x s GLU 73 Ca 0.40 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1v9x s GLU 73 Cb -0.19 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.71 1v9x s GLU 73 CO 0.21 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 1v9x n GLY 74 N -2.25 -0.18 0.19 -1.50 0.00 -1.26 -0.86 105.19 99.33 1v9x n GLY 74 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 0.66 0.00 -0.61 2.10 -1.76 -2.89 117.51 115.01 1v9x h ILE 75 Ca -0.03 -1.53 0.00 0.00 1.08 0.00 0.00 64.86 64.38 1v9x h ILE 75 Cb 0.55 2.02 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 1v9x h ILE 75 CO 0.04 0.31 0.00 -1.84 -1.08 0.00 0.00 178.15 175.58 1v9x n GLU 76 N -3.33 0.05 0.07 2.19 0.28 -1.26 -2.53 120.64 116.10 1v9x n GLU 76 Ca 0.01 0.17 0.12 0.00 -0.16 0.00 0.00 57.16 57.30 1v9x n GLU 76 Cb 0.55 -1.57 0.04 0.00 1.43 0.00 0.00 31.44 31.88 1v9x n GLU 76 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1v9x n SER 77 N -1.66 0.73 -4.79 -1.84 2.88 -1.09 -4.92 113.62 102.93 1v9x n SER 77 Ca 0.05 0.17 -0.31 0.00 -1.33 0.00 0.00 58.87 57.44 1v9x n SER 77 Cb 0.27 0.52 0.06 0.00 -0.75 0.00 0.00 64.21 64.31 1v9x n SER 77 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1v9x s LEU 78 N -4.79 3.16 0.48 2.46 1.43 -1.05 -5.00 118.68 115.38 1v9x s LEU 78 Ca 0.01 1.78 -0.22 0.00 -1.03 0.00 0.00 54.13 54.68 1v9x s LEU 78 Cb 0.12 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 1v9x s LEU 78 CO 0.78 -1.70 1.19 -0.13 0.23 0.00 0.00 176.35 176.72 1v9x s ARG 79 N -4.75 3.60 0.14 1.70 0.52 -1.26 -4.63 118.95 114.28 1v9x s ARG 79 Ca 0.61 1.82 -0.26 0.00 -0.52 0.00 0.00 55.73 57.39 1v9x s ARG 79 Cb -0.16 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 1v9x s ARG 79 CO 0.52 -0.69 1.33 1.87 0.02 0.00 0.00 175.30 178.34 1v9x n TRP 80 N -0.68 -0.35 -0.33 -0.53 -0.00 -1.26 0.14 117.44 114.43 1v9x n TRP 80 Ca 0.08 1.08 0.15 0.00 -0.00 0.00 0.00 57.50 58.82 1v9x n TRP 80 Cb 0.48 -0.59 0.35 0.00 -0.00 0.00 0.00 31.31 31.55 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 0.49 0.30 5.87 4.11 -1.99 -0.21 114.58 123.14 1v9x h GLU 81 Ca 0.15 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 1v9x h GLU 81 Cb 0.37 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1v9x h GLU 81 CO -0.82 0.32 -0.14 -0.44 0.07 0.00 0.00 179.01 178.00 1v9x h ASP 82 N 0.50 -0.34 -0.46 3.06 3.32 0.94 -2.43 116.42 121.02 1v9x h ASP 82 Ca 0.60 -0.17 0.13 0.00 0.02 0.00 0.00 57.03 57.62 1v9x h ASP 82 Cb 1.14 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1v9x h ASP 82 CO -0.50 0.00 0.41 1.56 -1.72 0.00 0.00 179.24 178.99 1v9x h GLN 83 N -0.71 0.00 -0.04 3.56 4.20 0.26 0.81 115.11 123.19 1v9x h GLN 83 Ca -0.04 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.43 1v9x h GLN 83 Cb 0.49 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.28 1v9x h GLN 83 CO 0.07 0.00 -0.92 1.96 -0.67 0.00 0.00 178.83 179.26 1v9x h GLN 84 N 0.00 0.59 0.00 1.46 1.08 -0.86 -3.05 115.11 114.33 1v9x h GLN 84 Ca 0.22 -0.58 -0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1v9x h GLN 84 Cb 1.02 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1v9x h GLN 84 CO -0.00 1.20 -0.00 0.87 -0.95 0.00 0.00 178.83 179.94 1v9x h LYS 85 N 0.36 0.00 0.00 1.46 1.57 -0.35 0.10 116.57 119.71 1v9x h LYS 85 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1v9x h LYS 85 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.87 1v9x h LYS 85 CO 0.17 0.00 -0.00 0.82 -0.57 0.00 0.00 179.45 179.87 1v9x h ILE 86 N 0.00 0.00 -0.92 1.86 1.08 -1.46 -3.19 117.51 114.88 1v9x h ILE 86 Ca -0.00 -0.34 0.13 0.00 -0.39 0.00 0.00 64.86 64.26 1v9x h ILE 86 Cb 0.01 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.67 1v9x h ILE 86 CO 0.00 0.00 0.54 0.08 -0.69 0.00 0.00 178.15 178.08 1v9x h ARG 87 N -0.34 0.79 0.00 2.37 0.11 -1.50 0.63 114.38 116.44 1v9x h ARG 87 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1v9x h ARG 87 Cb 0.00 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 30.91 1v9x h ARG 87 CO 0.00 0.52 0.00 1.63 0.10 0.00 0.00 179.97 182.22 1v9x n LYS 88 N -4.74 0.58 -0.03 0.08 4.76 0.34 -1.56 118.16 117.59 1v9x n LYS 88 Ca 0.18 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.58 1v9x n LYS 88 Cb 0.39 -1.43 -0.03 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 -0.93 0.00 0.21 2.13 9.36 0.19 -4.13 117.16 123.99 1v9x n TYR 89 Ca 0.12 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.44 1v9x n TYR 89 Cb 0.06 -0.26 0.16 0.00 -0.63 0.00 0.00 39.34 38.66 1v9x n TYR 89 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1v9x h VAL 90 N 0.00 0.17 0.00 2.97 -1.51 -0.62 -3.32 116.25 113.93 1v9x h VAL 90 Ca -0.15 -1.22 -0.21 0.00 -1.23 0.00 0.00 66.70 63.89 1v9x h VAL 90 Cb 1.26 2.07 -0.03 0.00 -2.13 0.00 0.00 31.29 32.46 1v9x h VAL 90 CO -0.01 0.09 -1.19 -0.33 -1.23 0.00 0.00 177.57 174.90 1v9x h GLU 91 N 0.00 0.00 0.00 5.19 4.39 -1.52 -3.45 114.58 119.18 1v9x h GLU 91 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.40 1v9x h GLU 91 Cb 1.06 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.76 1v9x h GLU 91 CO 0.01 0.93 0.05 0.45 -1.16 0.00 0.00 179.01 179.29 1v9x n SER 92 N -4.45 0.95 -4.66 1.42 2.88 -1.26 -5.00 113.62 103.51 1v9x n SER 92 Ca -0.30 -1.77 -0.44 0.00 -1.33 0.00 0.00 58.87 55.03 1v9x n SER 92 Cb 0.65 -0.38 -0.04 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 0.25 1.69 0.27 0.46 0.00 -1.26 -4.71 105.19 101.89 1v9x n GLY 93 Ca 0.10 0.83 0.03 0.00 0.00 0.00 0.00 46.02 46.99 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 10.41 1.02 -3.00 4.61 0.00 -1.87 -3.47 119.26 126.95 1v9x h ALA 94 Ca -0.49 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1v9x h ALA 94 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1v9x h ALA 94 CO 0.94 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1v9x n GLY 95 N -1.31 3.11 3.35 0.00 0.00 -1.26 -4.64 105.19 104.44 1v9x n GLY 95 Ca 0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1v9x n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v9x s SER 96 N 2.00 0.06 -0.23 1.61 0.15 -1.26 -5.07 113.70 110.96 1v9x s SER 96 Ca 0.00 -1.00 -0.41 0.00 0.70 0.00 0.00 55.95 55.24 1v9x s SER 96 Cb 0.00 0.44 -0.17 0.00 -1.71 0.00 0.00 66.02 64.58 1v9x s SER 96 CO 0.00 -0.92 1.56 0.59 1.20 0.00 0.00 173.24 175.67 1v9x n ASN 97 N -0.25 1.74 -4.10 5.45 4.13 -1.26 -4.95 115.26 116.03 1v9x n ASN 97 Ca -0.04 1.12 -0.19 0.00 1.68 0.00 0.00 54.58 57.14 1v9x n ASN 97 Cb 0.63 -1.07 -0.14 0.00 -1.54 0.00 0.00 39.78 37.66 1v9x n ASN 97 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1v9x s THR 98 N 2.46 0.95 -1.03 3.41 -1.32 -1.26 -5.09 115.64 113.76 1v9x s THR 98 Ca 0.96 -0.75 -0.18 0.00 -1.21 0.00 0.00 61.69 60.52 1v9x s THR 98 Cb -1.16 -0.84 0.13 0.00 -1.51 0.00 0.00 72.50 69.12 1v9x s THR 98 CO 0.65 0.09 1.27 -0.94 -2.21 0.00 0.00 174.62 173.47 1v9x s SER 99 N -0.75 6.76 0.12 8.08 1.04 -1.26 -4.99 113.70 122.69 1v9x s SER 99 Ca 0.02 -2.29 -0.28 0.00 0.48 0.00 0.00 55.95 53.88 1v9x s SER 99 Cb -0.06 -2.42 -0.16 0.00 0.10 0.00 0.00 66.02 63.48 1v9x s SER 99 CO 0.00 -1.01 0.60 1.07 0.98 0.00 0.00 173.24 174.88 1v9x n THR 100 N 5.39 1.22 -3.61 2.02 5.66 -1.26 -4.90 114.28 118.81 1v9x n THR 100 Ca 0.29 -0.31 -0.40 0.00 -3.05 0.00 0.00 64.05 60.59 1v9x n THR 100 Cb 0.47 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.16 1v9x n THR 100 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1v9x s SER 101 N -0.61 5.60 -0.77 1.09 0.01 -1.26 -5.04 113.70 112.72 1v9x s SER 101 Ca 0.63 -2.04 -0.24 0.00 1.31 0.00 0.00 55.95 55.61 1v9x s SER 101 Cb -0.90 -1.96 0.06 0.00 0.21 0.00 0.00 66.02 63.42 1v9x s SER 101 CO 0.49 -0.63 1.16 0.42 0.41 0.00 0.00 173.24 175.10 1v9x s THR 102 N 1.16 4.09 0.00 1.44 -4.23 -1.26 -4.95 115.64 111.90 1v9x s THR 102 Ca 0.08 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1v9x s THR 102 Cb -0.24 -4.83 0.00 0.00 1.34 0.00 0.00 72.50 68.76 1v9x s THR 102 CO -0.02 -1.68 0.00 0.61 -0.54 0.00 0.00 174.62 172.99 1v9x n GLY 103 N 5.59 5.12 2.85 3.99 0.00 -1.26 -5.15 105.19 116.33 1v9x n GLY 103 Ca 0.07 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 1v9x n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v9x s THR 104 N 1.82 0.65 0.49 2.61 2.01 -1.26 -5.15 115.64 116.82 1v9x s THR 104 Ca 0.00 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 61.97 1v9x s THR 104 Cb 0.00 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.79 1v9x s THR 104 CO 0.00 0.29 0.35 -0.94 -0.69 0.00 0.00 174.62 173.63 1v9x s SER 105 N 1.60 4.67 -0.54 3.53 1.04 -1.26 -5.10 113.70 117.64 1v9x s SER 105 Ca 0.01 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.34 1v9x s SER 105 Cb -0.13 0.05 0.14 0.00 0.10 0.00 0.00 66.02 66.18 1v9x s SER 105 CO -0.05 -0.90 0.30 0.42 0.98 0.00 0.00 173.24 173.99 1v9x s THR 106 N -2.68 2.81 1.12 2.02 -4.23 -1.26 -5.10 115.64 108.33 1v9x s THR 106 Ca 0.38 -3.27 -0.12 0.00 -1.18 0.00 0.00 61.69 57.49 1v9x s THR 106 Cb -0.01 -2.92 0.25 0.00 1.34 0.00 0.00 72.50 71.16 1v9x s THR 106 CO 0.22 -0.82 1.00 -1.54 -0.54 0.00 0.00 174.62 172.94 1v9x n SER 107 N 3.16 -1.36 -4.87 3.99 3.41 -1.26 -5.03 113.62 111.66 1v9x n SER 107 Ca 0.06 -0.04 -0.21 0.00 -0.26 0.00 0.00 58.87 58.42 1v9x n SER 107 Cb 0.33 -1.29 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 1v9x n SER 107 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v9x s SER 108 N -2.42 5.42 -0.24 4.04 0.01 -1.26 -5.11 113.70 114.14 1v9x s SER 108 Ca 0.68 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 57.52 1v9x s SER 108 Cb -0.24 -1.08 0.03 0.00 0.21 0.00 0.00 66.02 64.94 1v9x s SER 108 CO 0.64 -0.31 -0.09 -0.55 0.41 0.00 0.00 173.24 173.34 1v9x s SER 109 N -3.99 4.21 0.00 2.44 0.15 -1.26 -4.87 113.70 110.37 1v9x s SER 109 Ca 0.40 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1v9x s SER 109 Cb -0.07 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1v9x s SER 109 CO 0.27 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1v9x n GLY 110 N 4.61 -1.71 3.77 9.45 0.00 -1.26 -5.05 105.19 115.00 1v9x n GLY 110 Ca -0.16 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1v9x n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v9x s PRO 111 N -0.12 3.33 -0.18 1.61 0.04 -1.26 -5.01 135.00 133.42 1v9x s PRO 111 Ca 0.00 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 62.44 1v9x s PRO 111 Cb 0.00 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1v9x s PRO 111 CO 0.00 -0.86 0.60 -1.12 0.04 0.00 0.00 177.00 175.66 1v9x s SER 112 N -1.80 6.68 0.45 6.66 0.01 -1.26 -5.03 113.70 119.41 1v9x s SER 112 Ca 0.73 0.83 -0.23 0.00 1.31 0.00 0.00 55.95 58.58 1v9x s SER 112 Cb -0.24 -2.34 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 1v9x s SER 112 CO 0.27 -0.21 0.90 -1.20 0.41 0.00 0.00 173.24 173.41 1v9x n SER 113 N 4.76 0.72 -0.02 2.44 7.64 -1.26 -5.08 113.62 122.81 1v9x n SER 113 Ca -0.03 0.97 0.16 0.00 1.01 0.00 0.00 58.87 60.99 1v9x n SER 113 Cb 0.50 -1.31 0.93 0.00 -1.01 0.00 0.00 64.21 63.33 1v9x n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64