#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oxh s SER 0 N 0.00 2.57 0.11 1.61 0.15 -1.26 -5.15 113.70 111.73 2oxh s SER 0 Ca 0.00 -0.76 -0.05 0.00 0.70 0.00 0.00 55.95 55.84 2oxh s SER 0 Cb 0.00 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 2oxh s SER 0 CO 0.00 0.01 0.14 -0.94 1.20 0.00 0.00 173.24 173.65 2oxh s SER 1 N -2.22 0.22 0.41 5.45 1.04 -1.26 -5.17 113.70 112.17 2oxh s SER 1 Ca 0.10 -0.94 0.07 0.00 0.48 0.00 0.00 55.95 55.66 2oxh s SER 1 Cb -0.08 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2oxh s SER 1 CO 0.05 -0.75 0.18 0.42 0.98 0.00 0.00 173.24 174.12 2oxh s THR 2 N -3.96 2.29 0.17 2.02 -4.23 -1.26 -4.50 115.64 106.17 2oxh s THR 2 Ca 0.14 -1.70 -0.17 0.00 -1.18 0.00 0.00 61.69 58.79 2oxh s THR 2 Cb 0.06 -2.99 0.10 0.00 1.34 0.00 0.00 72.50 71.01 2oxh s THR 2 CO -0.04 0.00 1.67 0.58 -0.54 0.00 0.00 174.62 176.29 2oxh h VAL 3 N 1.42 0.59 -0.96 2.29 2.07 -1.93 -1.48 116.25 118.25 2oxh h VAL 3 Ca -0.43 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.18 2oxh h VAL 3 Cb 1.25 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.53 2oxh h VAL 3 CO 0.70 0.00 0.60 0.44 0.02 0.00 0.00 177.57 179.33 2oxh h ASP 4 N 0.01 0.93 -0.02 0.57 3.32 -1.98 0.15 116.42 119.39 2oxh h ASP 4 Ca 0.20 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2oxh h ASP 4 Cb 0.31 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2oxh h ASP 4 CO -0.43 0.55 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.30 2oxh h GLU 5 N 1.04 0.05 -0.37 3.56 5.08 -1.86 -0.10 114.58 121.97 2oxh h GLU 5 Ca 0.44 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2oxh h GLU 5 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2oxh h GLU 5 CO -0.21 0.54 0.19 -0.07 -1.00 0.00 0.00 179.01 178.46 2oxh h LEU 6 N -0.44 0.29 -0.28 1.33 3.38 -1.22 -1.23 115.31 117.14 2oxh h LEU 6 Ca 0.00 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2oxh h LEU 6 Cb 0.53 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2oxh h LEU 6 CO 0.01 0.21 -0.09 0.74 0.09 0.00 0.00 178.44 179.40 2oxh h THR 7 N 0.39 0.68 -0.78 0.22 2.02 -0.72 -0.46 112.91 114.26 2oxh h THR 7 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2oxh h THR 7 Cb 0.05 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 2oxh h THR 7 CO -0.10 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.29 2oxh h ALA 8 N 1.23 1.42 -0.39 6.16 0.00 -0.77 0.37 119.26 127.27 2oxh h ALA 8 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2oxh h ALA 8 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2oxh h ALA 8 CO -0.30 0.53 0.19 0.00 0.00 0.00 0.00 179.25 179.67 2oxh h ALA 9 N 1.49 0.50 -0.38 0.00 0.00 -0.85 0.26 119.26 120.28 2oxh h ALA 9 Ca 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2oxh h ALA 9 Cb -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2oxh h ALA 9 CO -0.06 0.06 0.13 0.35 0.00 0.00 0.00 179.25 179.73 2oxh h PHE 10 N 0.49 0.60 0.00 0.00 3.57 -0.13 -3.25 116.94 118.23 2oxh h PHE 10 Ca 0.14 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2oxh h PHE 10 Cb 0.11 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2oxh h PHE 10 CO -0.02 0.56 -0.64 0.25 -2.23 0.00 0.00 178.31 176.24 2oxh n THR 11 N -4.63 0.08 -2.28 4.41 -2.24 0.03 -4.95 114.28 104.70 2oxh n THR 11 Ca -0.01 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 2oxh n THR 11 Cb 0.17 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 2oxh n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oxh n GLY 12 N 1.46 -0.23 3.19 3.38 0.00 0.82 -2.53 105.19 111.27 2oxh n GLY 12 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2oxh n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oxh n GLY 13 N -1.02 1.84 3.73 -0.02 0.00 -0.66 -5.01 105.19 104.06 2oxh n GLY 13 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2oxh n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oxh s ALA 14 N -3.16 2.38 0.42 4.61 0.00 -1.05 -4.98 121.76 119.98 2oxh s ALA 14 Ca 0.00 1.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 2oxh s ALA 14 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 2oxh s ALA 14 CO 0.00 -1.60 1.29 0.00 0.00 0.00 0.00 175.76 175.45 2oxh s ALA 15 N -1.39 3.21 0.18 0.00 0.00 -1.26 -4.91 121.76 117.59 2oxh s ALA 15 Ca 0.83 1.21 0.02 0.00 0.00 0.00 0.00 51.96 54.02 2oxh s ALA 15 Cb -0.38 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 2oxh s ALA 15 CO 0.40 -0.83 0.33 0.95 0.00 0.00 0.00 175.76 176.60 2oxh s THR 16 N -1.29 5.28 0.23 0.00 -4.23 -1.26 -4.65 115.64 109.72 2oxh s THR 16 Ca 0.58 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 60.47 2oxh s THR 16 Cb -0.37 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 69.74 2oxh s THR 16 CO 0.47 -0.16 0.28 0.61 -0.54 0.00 0.00 174.62 175.28 2oxh n GLY 17 N -0.75 2.20 3.19 3.99 0.00 -0.40 -4.93 105.19 108.48 2oxh n GLY 17 Ca -0.07 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 2oxh n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2oxh s GLU 18 N -3.03 0.88 0.00 1.61 -1.05 -1.26 -0.46 118.70 115.40 2oxh s GLU 18 Ca 0.22 -1.36 0.00 0.00 -0.15 0.00 0.00 54.97 53.67 2oxh s GLU 18 Cb -0.02 -0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.40 2oxh s GLU 18 CO 0.14 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.75 2oxh n GLY 19 N -0.08 -1.30 2.31 -3.83 0.00 -1.26 -4.91 105.19 96.12 2oxh n GLY 19 Ca -0.11 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 2oxh n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oxh n GLY 20 N -1.59 1.00 3.35 -0.02 0.00 -1.26 -4.74 105.19 101.93 2oxh n GLY 20 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 2oxh n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2oxh s LEU 21 N -2.78 -0.72 -0.24 0.99 2.96 -1.26 -4.38 118.68 113.26 2oxh s LEU 21 Ca 0.00 1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 54.94 2oxh s LEU 21 Cb 0.00 1.55 -0.04 0.00 0.50 0.00 0.00 46.19 48.21 2oxh s LEU 21 CO 0.00 -0.23 0.09 -0.89 -1.32 0.00 0.00 176.35 174.00 2oxh s THR 22 N 2.60 4.59 -0.23 3.68 2.01 -0.57 -4.87 115.64 122.84 2oxh s THR 22 Ca -0.03 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.90 2oxh s THR 22 Cb -0.12 -3.13 0.04 0.00 0.01 0.00 0.00 72.50 69.30 2oxh s THR 22 CO -0.14 0.35 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.78 2oxh s LEU 23 N 1.36 2.87 -0.21 4.42 2.96 -1.26 -1.52 118.68 127.29 2oxh s LEU 23 Ca 0.05 -1.02 -0.04 0.00 -0.22 0.00 0.00 54.13 52.90 2oxh s LEU 23 Cb -0.15 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 2oxh s LEU 23 CO 0.04 -0.10 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.05 2oxh s THR 24 N 1.21 3.56 0.03 3.68 2.01 0.46 -4.94 115.64 121.64 2oxh s THR 24 Ca -0.02 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 2oxh s THR 24 Cb -0.17 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 2oxh s THR 24 CO -0.08 0.42 0.02 0.00 -0.69 0.00 0.00 174.62 174.29 2oxh s ALA 25 N 1.34 0.11 0.50 7.40 0.00 -1.26 -1.62 121.76 128.24 2oxh s ALA 25 Ca 0.04 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 2oxh s ALA 25 Cb -0.14 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 2oxh s ALA 25 CO -0.01 -0.26 1.37 -1.25 0.00 0.00 0.00 175.76 175.61 2oxh s PRO 26 N -2.33 3.40 0.08 0.00 0.04 -1.26 -4.94 135.00 129.98 2oxh s PRO 26 Ca -0.08 2.28 -0.21 0.00 0.04 0.00 0.00 61.00 63.03 2oxh s PRO 26 Cb -0.03 -2.43 -0.11 0.00 0.04 0.00 0.00 34.50 31.97 2oxh s PRO 26 CO -0.04 -1.00 1.60 1.49 0.04 0.00 0.00 177.00 179.09 2oxh h GLU 27 N 1.84 0.22 -5.26 4.56 4.81 -1.93 -3.42 114.58 115.41 2oxh h GLU 27 Ca -0.51 -0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.01 2oxh h GLU 27 Cb 1.28 -0.03 -0.32 0.00 0.63 0.00 0.00 28.75 30.31 2oxh h GLU 27 CO 0.59 0.33 -0.85 0.42 -0.73 0.00 0.00 179.01 178.77 2oxh s ILE 28 N -5.48 2.27 -0.33 2.32 -1.09 -1.26 -0.98 121.20 116.65 2oxh s ILE 28 Ca -0.14 -0.92 -0.11 0.00 -2.23 0.00 0.00 60.65 57.25 2oxh s ILE 28 Cb 0.06 -1.91 -0.00 0.00 -1.58 0.00 0.00 42.46 39.03 2oxh s ILE 28 CO 0.70 0.54 0.19 0.00 -1.23 0.00 0.00 174.94 175.15 2oxh s ALA 29 N 0.61 3.35 0.26 9.38 0.00 0.45 -4.94 121.76 130.88 2oxh s ALA 29 Ca -0.11 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2oxh s ALA 29 Cb -0.16 -2.52 0.34 0.00 0.00 0.00 0.00 23.12 20.78 2oxh s ALA 29 CO 0.03 -1.03 1.66 1.49 0.00 0.00 0.00 175.76 177.91 2oxh h GLU 30 N 8.42 0.45 -4.53 0.00 4.57 -1.94 -2.54 114.58 119.01 2oxh h GLU 30 Ca -0.31 -0.20 -0.63 0.00 -1.18 0.00 0.00 59.36 57.05 2oxh h GLU 30 Cb 1.14 -0.01 -0.38 0.00 -0.16 0.00 0.00 28.75 29.35 2oxh h GLU 30 CO 0.63 0.74 -0.80 1.21 -1.18 0.00 0.00 179.01 179.62 2oxh s ASN 31 N -6.84 3.87 0.00 1.04 3.84 -1.26 -4.42 114.94 111.16 2oxh s ASN 31 Ca -0.06 -1.15 0.23 0.00 0.21 0.00 0.00 52.86 52.08 2oxh s ASN 31 Cb 0.13 -1.28 1.03 0.00 -0.55 0.00 0.00 41.25 40.58 2oxh s ASN 31 CO 0.80 -0.20 1.73 0.61 -2.79 0.00 0.00 177.10 177.25 2oxh n GLY 32 N 4.62 -1.19 0.09 1.21 0.00 0.28 -2.85 105.19 107.35 2oxh n GLY 32 Ca -0.13 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.92 2oxh n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2oxh h ASN 33 N 0.00 0.00 -1.83 1.61 2.35 -1.82 0.32 115.58 116.21 2oxh h ASN 33 Ca 0.00 -0.13 -0.50 0.00 -0.55 0.00 0.00 56.30 55.12 2oxh h ASN 33 Cb 0.33 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.36 2oxh h ASN 33 CO 0.00 0.07 -0.94 1.07 -1.65 0.00 0.00 177.43 175.98 2oxh n THR 34 N -2.26 -0.76 -3.64 2.81 5.66 -1.13 -4.44 114.28 110.52 2oxh n THR 34 Ca 0.04 -3.25 -0.37 0.00 -3.05 0.00 0.00 64.05 57.41 2oxh n THR 34 Cb 0.45 -1.21 -0.11 0.00 -1.55 0.00 0.00 70.33 67.91 2oxh n THR 34 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2oxh s VAL 35 N -0.33 5.15 0.23 1.08 1.01 -0.54 -4.86 120.40 122.15 2oxh s VAL 35 Ca 0.33 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 2oxh s VAL 35 Cb 0.11 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 2oxh s VAL 35 CO -0.15 0.28 0.95 -2.16 0.00 0.00 0.00 175.10 174.02 2oxh s PRO 36 N 1.59 4.84 -0.03 2.72 0.04 -1.26 -0.25 135.00 142.65 2oxh s PRO 36 Ca 0.07 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.62 2oxh s PRO 36 Cb -0.15 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.12 2oxh s PRO 36 CO 0.09 0.49 -0.05 0.42 0.04 0.00 0.00 177.00 177.98 2oxh s ILE 37 N -1.08 0.52 -0.09 0.56 -1.09 -0.32 -4.34 121.20 115.36 2oxh s ILE 37 Ca 0.42 -0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.71 2oxh s ILE 37 Cb -0.26 -0.52 0.01 0.00 -1.58 0.00 0.00 42.46 40.11 2oxh s ILE 37 CO 0.32 0.20 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.35 2oxh s GLU 38 N 0.63 2.44 -0.04 2.79 2.12 -0.64 -1.60 118.70 124.40 2oxh s GLU 38 Ca -0.08 -0.66 0.06 0.00 0.36 0.00 0.00 54.97 54.64 2oxh s GLU 38 Cb -0.12 -1.93 -0.02 0.00 0.26 0.00 0.00 34.13 32.32 2oxh s GLU 38 CO 0.00 0.07 -0.21 0.14 -0.54 0.00 0.00 175.26 174.72 2oxh s VAL 39 N 0.60 2.49 -0.08 3.70 -7.23 0.21 -0.41 120.40 119.68 2oxh s VAL 39 Ca -0.14 -0.93 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2oxh s VAL 39 Cb -0.17 -1.93 0.02 0.00 0.56 0.00 0.00 36.38 34.87 2oxh s VAL 39 CO 0.05 0.58 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.82 2oxh s LYS 40 N -0.53 1.20 -0.40 4.82 1.02 -0.58 -0.70 119.74 124.58 2oxh s LYS 40 Ca 0.07 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.93 2oxh s LYS 40 Cb -0.11 -1.28 0.16 0.00 -0.52 0.00 0.00 37.83 36.08 2oxh s LYS 40 CO 0.01 -0.20 0.34 0.00 -0.92 0.00 0.00 175.35 174.57 2oxh s ALA 41 N 1.50 0.88 -0.27 5.17 0.00 -0.03 -1.51 121.76 127.49 2oxh s ALA 41 Ca -0.00 -2.04 -0.42 0.00 0.00 0.00 0.00 51.96 49.50 2oxh s ALA 41 Cb -0.13 -1.71 -0.17 0.00 0.00 0.00 0.00 23.12 21.10 2oxh s ALA 41 CO -0.04 -2.04 1.59 -2.30 0.00 0.00 0.00 175.76 172.97 2oxh n PRO 42 N 3.26 0.71 -0.07 0.00 -0.02 -1.26 -1.26 135.00 136.36 2oxh n PRO 42 Ca 0.23 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2oxh n PRO 42 Cb 0.46 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2oxh n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oxh n GLY 43 N 3.67 1.06 3.77 -1.23 0.00 -1.26 -5.06 105.19 106.14 2oxh n GLY 43 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 2oxh n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oxh s ALA 44 N -2.45 3.17 -0.16 4.61 0.00 -0.39 -4.40 121.76 122.14 2oxh s ALA 44 Ca 0.00 1.09 0.19 0.00 0.00 0.00 0.00 51.96 53.24 2oxh s ALA 44 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 2oxh s ALA 44 CO 0.00 -0.70 0.87 1.33 0.00 0.00 0.00 175.76 177.27 2oxh n VAL 45 N 0.01 0.97 -3.66 0.00 0.24 0.78 -4.72 118.33 111.95 2oxh n VAL 45 Ca 0.04 -0.64 -0.14 0.00 -2.04 0.00 0.00 64.34 61.57 2oxh n VAL 45 Cb 0.45 -0.58 -0.08 0.00 -1.47 0.00 0.00 33.84 32.16 2oxh n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2oxh s ALA 46 N -3.08 -1.57 -0.13 2.33 0.00 -1.15 -1.07 121.76 117.09 2oxh s ALA 46 Ca -0.02 1.79 0.02 0.00 0.00 0.00 0.00 51.96 53.74 2oxh s ALA 46 Cb 0.09 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 22.18 2oxh s ALA 46 CO 0.81 -0.30 -0.17 0.42 0.00 0.00 0.00 175.76 176.51 2oxh s ILE 47 N 0.33 1.71 -0.16 0.00 1.01 0.58 0.78 121.20 125.46 2oxh s ILE 47 Ca -0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 2oxh s ILE 47 Cb -0.04 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 2oxh s ILE 47 CO 0.01 0.48 0.12 -0.32 0.00 0.00 0.00 174.94 175.23 2oxh s MET 48 N 1.03 3.77 -0.09 2.79 -2.45 0.24 -1.15 119.30 123.44 2oxh s MET 48 Ca -0.04 -0.21 -0.04 0.00 -1.25 0.00 0.00 55.69 54.15 2oxh s MET 48 Cb -0.15 -3.26 -0.04 0.00 1.25 0.00 0.00 34.83 32.64 2oxh s MET 48 CO -0.04 0.53 0.09 -0.51 1.05 0.00 0.00 175.02 176.14 2oxh s LEU 49 N -0.32 4.05 0.04 4.11 1.43 0.01 -0.36 118.68 127.65 2oxh s LEU 49 Ca 0.11 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 2oxh s LEU 49 Cb -0.12 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 2oxh s LEU 49 CO 0.01 0.37 -0.08 -0.76 0.23 0.00 0.00 176.35 176.12 2oxh s LEU 50 N -1.12 2.24 -0.28 1.79 1.43 0.30 -3.02 118.68 120.02 2oxh s LEU 50 Ca 0.16 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2oxh s LEU 50 Cb -0.12 -0.22 0.08 0.00 0.03 0.00 0.00 46.19 45.96 2oxh s LEU 50 CO 0.05 -0.17 -0.02 0.00 0.23 0.00 0.00 176.35 176.45 2oxh s ALA 51 N -1.27 2.39 0.33 4.21 0.00 -0.51 -0.74 121.76 126.17 2oxh s ALA 51 Ca -0.08 -1.89 0.38 0.00 0.00 0.00 0.00 51.96 50.38 2oxh s ALA 51 Cb -0.09 -1.67 1.82 0.00 0.00 0.00 0.00 23.12 23.17 2oxh s ALA 51 CO 0.01 -1.41 2.15 0.00 0.00 0.00 0.00 175.76 176.51 2oxh h ALA 52 N 7.81 1.00 -0.01 0.00 0.00 -1.54 -3.14 119.26 123.37 2oxh h ALA 52 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2oxh h ALA 52 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2oxh h ALA 52 CO 0.47 0.00 -0.18 0.41 0.00 0.00 0.00 179.25 179.95 2oxh n GLY 53 N -0.44 -0.00 3.78 0.00 0.00 -1.26 -4.95 105.19 102.32 2oxh n GLY 53 Ca -0.01 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 2oxh n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2oxh s ASN 54 N -1.57 6.15 0.42 1.61 0.01 -1.19 -4.68 114.94 115.70 2oxh s ASN 54 Ca 0.14 2.11 0.18 0.00 -0.71 0.00 0.00 52.86 54.58 2oxh s ASN 54 Cb 0.12 -2.58 1.10 0.00 0.41 0.00 0.00 41.25 40.31 2oxh s ASN 54 CO 0.30 -0.92 1.86 -0.65 -1.51 0.00 0.00 177.10 176.18 2oxh h PRO 55 N 1.67 0.37 -5.54 -0.60 0.11 -1.93 -3.37 132.00 122.71 2oxh h PRO 55 Ca -0.49 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.02 2oxh h PRO 55 Cb 1.24 -0.08 -0.31 0.00 0.11 0.00 0.00 31.00 31.96 2oxh h PRO 55 CO 0.59 0.25 -0.84 -1.21 -0.21 0.00 0.00 178.00 176.57 2oxh s GLU 56 N -5.40 1.73 0.27 1.05 0.41 -1.26 -4.91 118.70 110.58 2oxh s GLU 56 Ca -0.08 -0.65 0.20 0.00 -0.41 0.00 0.00 54.97 54.03 2oxh s GLU 56 Cb 0.23 -1.56 0.09 0.00 -1.78 0.00 0.00 34.13 31.11 2oxh s GLU 56 CO 0.78 0.31 1.25 -1.00 -0.49 0.00 0.00 175.26 176.12 2oxh h PRO 57 N 6.02 0.00 -6.98 0.39 0.13 -1.77 -3.46 132.00 126.33 2oxh h PRO 57 Ca -0.35 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.25 2oxh h PRO 57 Cb 1.16 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.40 2oxh h PRO 57 CO 0.48 0.14 0.68 0.00 -0.23 0.00 0.00 178.00 179.08 2oxh s ALA 58 N -3.17 3.26 0.09 -0.56 0.00 -1.26 -1.43 121.76 118.69 2oxh s ALA 58 Ca 0.02 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.40 2oxh s ALA 58 Cb 0.08 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2oxh s ALA 58 CO 0.75 -1.10 0.00 0.28 0.00 0.00 0.00 175.76 175.69 2oxh n VAL 59 N -0.09 0.38 -3.54 0.00 0.31 -1.17 -4.80 118.33 109.42 2oxh n VAL 59 Ca 0.05 0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 64.41 2oxh n VAL 59 Cb 0.42 -0.90 -0.03 0.00 -0.91 0.00 0.00 33.84 32.42 2oxh n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2oxh s ALA 60 N -2.00 -1.90 -0.16 3.52 0.00 -1.23 -5.03 121.76 114.96 2oxh s ALA 60 Ca 0.00 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 53.28 2oxh s ALA 60 Cb 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.03 2oxh s ALA 60 CO 0.00 -0.51 -0.06 0.99 0.00 0.00 0.00 175.76 176.18 2oxh s THR 61 N -2.16 1.14 -0.33 0.00 2.01 -1.26 -0.81 115.64 114.22 2oxh s THR 61 Ca 0.02 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 2oxh s THR 61 Cb -0.01 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.22 2oxh s THR 61 CO -0.04 0.16 0.70 -0.36 -0.69 0.00 0.00 174.62 174.40 2oxh s PHE 62 N 1.63 3.17 -0.16 4.92 0.08 -0.30 -4.96 117.98 122.36 2oxh s PHE 62 Ca 0.01 0.56 -0.13 0.00 0.12 0.00 0.00 56.93 57.49 2oxh s PHE 62 Cb -0.15 -3.18 -0.05 0.00 -0.57 0.00 0.00 43.02 39.08 2oxh s PHE 62 CO -0.08 -0.60 0.26 -0.80 -0.10 0.00 0.00 175.22 173.90 2oxh s ASN 63 N 1.72 6.41 -0.19 1.36 -0.87 -1.26 -0.31 114.94 121.80 2oxh s ASN 63 Ca 0.28 0.47 -0.08 0.00 -1.57 0.00 0.00 52.86 51.96 2oxh s ASN 63 Cb -0.14 -2.16 -0.04 0.00 -0.02 0.00 0.00 41.25 38.88 2oxh s ASN 63 CO 0.14 0.14 0.09 -0.36 -2.57 0.00 0.00 177.10 174.54 2oxh s PHE 64 N 0.30 3.29 0.29 2.20 0.40 -0.23 -4.98 117.98 119.25 2oxh s PHE 64 Ca 0.15 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 2oxh s PHE 64 Cb -0.13 -2.12 0.05 0.00 0.51 0.00 0.00 43.02 41.34 2oxh s PHE 64 CO 0.03 0.17 0.39 0.41 0.70 0.00 0.00 175.22 176.92 2oxh n GLY 65 N 3.62 1.25 0.29 4.36 0.00 -1.26 -4.83 105.19 108.61 2oxh n GLY 65 Ca -0.16 -2.07 0.14 0.00 0.00 0.00 0.00 46.02 43.93 2oxh n GLY 65 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2oxh h PRO 66 N 0.00 0.00 -0.05 1.61 0.11 -2.01 -2.85 132.00 128.81 2oxh h PRO 66 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2oxh h PRO 66 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2oxh h PRO 66 CO 0.16 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 177.99 2oxh n ALA 67 N -2.30 2.56 -2.02 -0.75 0.00 -1.26 -4.88 120.51 111.86 2oxh n ALA 67 Ca -0.03 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 2oxh n ALA 67 Cb 0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 2oxh n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oxh s ALA 68 N -1.96 3.71 0.10 0.00 0.00 -1.08 -4.92 121.76 117.61 2oxh s ALA 68 Ca 0.36 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.55 2oxh s ALA 68 Cb 0.20 -3.59 -0.20 0.00 0.00 0.00 0.00 23.12 19.54 2oxh s ALA 68 CO 0.32 -0.72 1.21 0.00 0.00 0.00 0.00 175.76 176.57 2oxh h ALA 69 N 6.82 0.20 -2.93 0.00 0.00 -1.90 -3.48 119.26 117.98 2oxh h ALA 69 Ca -0.42 -0.79 -0.12 0.00 0.00 0.00 0.00 54.91 53.57 2oxh h ALA 69 Cb 1.21 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2oxh h ALA 69 CO 0.90 0.86 -0.01 0.16 0.00 0.00 0.00 179.25 181.16 2oxh s ASP 70 N -7.16 0.31 -0.70 0.00 1.47 -1.26 -5.07 116.67 104.26 2oxh s ASP 70 Ca -0.05 -1.18 0.01 0.00 1.18 0.00 0.00 52.55 52.50 2oxh s ASP 70 Cb 0.08 0.70 0.37 0.00 -0.34 0.00 0.00 42.92 43.73 2oxh s ASP 70 CO 0.88 -1.38 1.59 0.00 0.68 0.00 0.00 175.17 176.94 2oxh n GLN 71 N -0.50 3.35 -4.34 2.11 3.00 -1.26 -4.95 117.38 114.77 2oxh n GLN 71 Ca -0.03 -4.12 -0.35 0.00 -0.01 0.00 0.00 57.00 52.49 2oxh n GLN 71 Cb 0.61 -2.28 -0.10 0.00 0.00 0.00 0.00 30.24 28.47 2oxh n GLN 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2oxh s ARG 72 N -3.87 3.12 -0.05 -1.09 3.52 -1.26 -0.85 118.95 118.47 2oxh s ARG 72 Ca 0.49 -0.41 -0.15 0.00 -0.13 0.00 0.00 55.73 55.53 2oxh s ARG 72 Cb 0.38 -2.84 0.03 0.00 -1.56 0.00 0.00 34.95 30.96 2oxh s ARG 72 CO -0.28 0.63 0.35 0.00 -0.81 0.00 0.00 175.30 175.19 2oxh s ALA 73 N -0.69 -0.88 0.01 6.12 0.00 0.13 -5.00 121.76 121.45 2oxh s ALA 73 Ca 0.11 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.66 2oxh s ALA 73 Cb -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2oxh s ALA 73 CO 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 175.76 175.51 2oxh s ALA 74 N -0.89 0.18 0.00 0.00 0.00 -1.26 -0.62 121.76 119.16 2oxh s ALA 74 Ca -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2oxh s ALA 74 Cb -0.04 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.11 2oxh s ALA 74 CO 0.04 -0.04 0.00 -2.37 0.00 0.00 0.00 175.76 173.39 2oxh n THR 75 N 2.37 0.00 -3.97 0.00 5.66 -0.63 -5.00 114.28 112.71 2oxh n THR 75 Ca -0.17 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.67 2oxh n THR 75 Cb 0.57 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.20 2oxh n THR 75 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2oxh s ARG 76 N -1.31 0.24 0.26 1.09 0.52 -1.26 -1.17 118.95 117.32 2oxh s ARG 76 Ca 0.00 -0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.22 2oxh s ARG 76 Cb 0.00 -0.32 -0.05 0.00 0.52 0.00 0.00 34.95 35.10 2oxh s ARG 76 CO 0.00 -0.03 0.05 0.96 0.02 0.00 0.00 175.30 176.30 2oxh s ILE 77 N 0.43 0.86 -0.14 1.52 -4.36 0.65 -4.85 121.20 115.31 2oxh s ILE 77 Ca -0.04 -2.01 -0.05 0.00 -0.26 0.00 0.00 60.65 58.29 2oxh s ILE 77 Cb -0.07 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 2oxh s ILE 77 CO -0.01 -0.15 0.02 -0.13 0.24 0.00 0.00 174.94 174.91 2oxh s ARG 78 N -3.94 3.52 -0.16 0.37 0.52 -1.26 -1.46 118.95 116.53 2oxh s ARG 78 Ca 0.33 -0.39 -0.00 0.00 -0.52 0.00 0.00 55.73 55.15 2oxh s ARG 78 Cb 0.07 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.59 2oxh s ARG 78 CO 0.12 0.46 -0.08 -0.51 0.02 0.00 0.00 175.30 175.30 2oxh s LEU 79 N -0.18 1.73 0.54 2.53 1.43 0.11 -4.98 118.68 119.86 2oxh s LEU 79 Ca 0.06 -0.64 0.31 0.00 -1.03 0.00 0.00 54.13 52.83 2oxh s LEU 79 Cb -0.12 -1.02 1.49 0.00 0.03 0.00 0.00 46.19 46.56 2oxh s LEU 79 CO 0.02 -0.14 2.05 0.00 0.23 0.00 0.00 176.35 178.51 2oxh h ALA 80 N 8.08 1.12 -2.15 4.21 0.00 -1.83 -0.72 119.26 127.97 2oxh h ALA 80 Ca -0.28 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 54.77 2oxh h ALA 80 Cb 1.11 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2oxh h ALA 80 CO 0.44 0.11 0.61 1.14 0.00 0.00 0.00 179.25 181.55 2oxh s GLN 81 N -3.95 0.99 0.00 0.00 -2.07 -1.26 -4.21 119.66 109.16 2oxh s GLN 81 Ca -0.02 -0.58 -0.37 0.00 -1.82 0.00 0.00 55.36 52.58 2oxh s GLN 81 Cb 0.11 0.32 -0.16 0.00 -1.09 0.00 0.00 33.01 32.19 2oxh s GLN 81 CO 0.56 -0.46 1.45 2.41 -1.32 0.00 0.00 175.29 177.93 2oxh n THR 82 N -0.54 0.08 -3.78 3.63 -1.04 -1.26 -4.75 114.28 106.62 2oxh n THR 82 Ca -0.06 -0.01 -0.04 0.00 -2.04 0.00 0.00 64.05 61.90 2oxh n THR 82 Cb 0.61 -0.95 -0.01 0.00 -1.82 0.00 0.00 70.33 68.16 2oxh n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oxh s GLN 83 N 1.26 1.33 -0.09 -2.82 -2.07 -0.89 -4.86 119.66 111.51 2oxh s GLN 83 Ca 0.88 -0.75 -0.22 0.00 -1.82 0.00 0.00 55.36 53.44 2oxh s GLN 83 Cb -0.97 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 31.35 2oxh s GLN 83 CO 0.51 -0.61 0.67 -0.51 -1.32 0.00 0.00 175.29 174.03 2oxh s ASP 84 N -2.99 6.91 -0.07 12.60 1.11 -1.26 -0.75 116.67 132.22 2oxh s ASP 84 Ca 0.13 1.10 -0.24 0.00 0.18 0.00 0.00 52.55 53.73 2oxh s ASP 84 Cb -0.02 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 2oxh s ASP 84 CO 0.04 -0.13 0.71 -0.69 1.18 0.00 0.00 175.17 176.28 2oxh s VAL 85 N 0.94 5.04 -0.08 -1.27 1.01 -0.01 -1.46 120.40 124.58 2oxh s VAL 85 Ca 0.35 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.79 2oxh s VAL 85 Cb -0.17 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2oxh s VAL 85 CO 0.16 0.25 -0.06 -0.63 0.00 0.00 0.00 175.10 174.81 2oxh s ILE 86 N 0.83 3.74 -0.11 2.22 1.01 0.08 -1.63 121.20 127.34 2oxh s ILE 86 Ca 0.38 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.60 2oxh s ILE 86 Cb -0.18 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.75 2oxh s ILE 86 CO 0.18 0.59 -0.23 0.00 0.00 0.00 0.00 174.94 175.48 2oxh s ALA 87 N -0.70 2.20 -0.17 9.38 0.00 -0.35 -0.54 121.76 131.57 2oxh s ALA 87 Ca 0.11 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2oxh s ALA 87 Cb -0.11 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 2oxh s ALA 87 CO 0.02 0.26 -0.13 -0.51 0.00 0.00 0.00 175.76 175.40 2oxh s LEU 88 N 0.39 2.57 -0.20 0.00 1.43 0.51 -0.86 118.68 122.52 2oxh s LEU 88 Ca -0.18 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 2oxh s LEU 88 Cb -0.18 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 2oxh s LEU 88 CO 0.08 0.05 -0.10 0.00 0.23 0.00 0.00 176.35 176.61 2oxh s ALA 89 N 1.01 2.64 -0.22 4.21 0.00 -0.69 0.79 121.76 129.51 2oxh s ALA 89 Ca -0.01 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.73 2oxh s ALA 89 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2oxh s ALA 89 CO -0.02 -0.31 0.07 0.21 0.00 0.00 0.00 175.76 175.70 2oxh s LYS 90 N 1.27 3.81 0.59 0.00 2.20 0.23 -1.82 119.74 126.01 2oxh s LYS 90 Ca 0.03 -0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 55.19 2oxh s LYS 90 Cb -0.14 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 2oxh s LYS 90 CO -0.05 0.04 0.87 -1.64 -0.36 0.00 0.00 175.35 174.21 2oxh s MET 91 N 1.02 2.72 0.54 4.03 -1.94 -0.42 -0.16 119.30 125.10 2oxh s MET 91 Ca 0.04 -0.26 0.28 0.00 -1.71 0.00 0.00 55.69 54.04 2oxh s MET 91 Cb -0.14 -2.33 1.57 0.00 2.01 0.00 0.00 34.83 35.94 2oxh s MET 91 CO 0.03 -0.76 2.13 0.00 -0.01 0.00 0.00 175.02 176.41 2oxh h ALA 92 N -0.14 1.34 0.00 3.03 0.00 -1.89 -0.41 119.26 121.20 2oxh h ALA 92 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2oxh h ALA 92 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2oxh h ALA 92 CO 0.59 0.10 0.00 0.38 0.00 0.00 0.00 179.25 180.32 2oxh h ASP 93 N 0.00 0.00 0.00 0.00 2.03 -1.96 -3.47 116.42 113.02 2oxh h ASP 93 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2oxh h ASP 93 Cb 0.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 2oxh h ASP 93 CO 0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 2oxh n GLY 94 N 0.45 1.74 3.57 7.15 0.00 -0.16 -5.10 105.19 112.84 2oxh n GLY 94 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2oxh n GLY 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2oxh n SER 95 N 0.00 -0.21 -3.81 1.61 3.41 -1.26 -4.64 113.62 108.72 2oxh n SER 95 Ca 0.00 0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 59.01 2oxh n SER 95 Cb 0.00 -1.37 -0.15 0.00 -0.26 0.00 0.00 64.21 62.43 2oxh n SER 95 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2oxh s VAL 96 N -2.10 -0.02 0.11 -3.33 1.01 -1.26 -1.29 120.40 113.51 2oxh s VAL 96 Ca 0.68 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.85 2oxh s VAL 96 Cb -0.29 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2oxh s VAL 96 CO 0.56 0.07 0.03 0.68 0.00 0.00 0.00 175.10 176.44 2oxh s VAL 97 N 0.74 4.13 -0.06 2.92 -7.23 -0.76 -1.27 120.40 118.87 2oxh s VAL 97 Ca -0.06 -1.01 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 2oxh s VAL 97 Cb -0.09 -3.00 -0.00 0.00 0.56 0.00 0.00 36.38 33.84 2oxh s VAL 97 CO -0.02 0.07 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.89 2oxh s LYS 98 N -2.49 2.18 0.22 4.82 2.20 0.39 -1.70 119.74 125.36 2oxh s LYS 98 Ca 0.27 -0.71 0.08 0.00 -0.36 0.00 0.00 55.97 55.25 2oxh s LYS 98 Cb -0.11 -1.81 -0.05 0.00 -1.51 0.00 0.00 37.83 34.35 2oxh s LYS 98 CO 0.20 0.24 -0.13 0.00 -0.36 0.00 0.00 175.35 175.30 2oxh s ALA 99 N 0.11 2.09 -0.06 3.13 0.00 -0.04 -4.36 121.76 122.64 2oxh s ALA 99 Ca -0.08 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.07 2oxh s ALA 99 Cb -0.14 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2oxh s ALA 99 CO 0.04 0.05 0.26 -1.14 0.00 0.00 0.00 175.76 174.96 2oxh s GLN 100 N -3.66 0.44 -0.18 0.00 0.74 -1.26 -1.22 119.66 114.53 2oxh s GLN 100 Ca 0.24 0.08 -0.13 0.00 0.05 0.00 0.00 55.36 55.60 2oxh s GLN 100 Cb -0.00 0.20 0.05 0.00 1.10 0.00 0.00 33.01 34.36 2oxh s GLN 100 CO 0.08 -0.09 0.47 -0.08 -0.55 0.00 0.00 175.29 175.11 2oxh s THR 101 N -0.53 -0.01 -0.13 -0.34 -1.32 -0.65 -5.01 115.64 107.65 2oxh s THR 101 Ca -0.06 0.04 -0.18 0.00 -1.21 0.00 0.00 61.69 60.27 2oxh s THR 101 Cb -0.04 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.24 2oxh s THR 101 CO 0.02 0.02 0.48 -0.89 -2.21 0.00 0.00 174.62 172.03 2oxh s THR 102 N 0.84 5.18 -0.20 5.08 2.01 -1.26 -0.83 115.64 126.47 2oxh s THR 102 Ca -0.05 0.94 -0.02 0.00 0.31 0.00 0.00 61.69 62.88 2oxh s THR 102 Cb -0.06 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2oxh s THR 102 CO -0.07 0.31 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.39 2oxh s VAL 103 N 0.71 2.92 -0.11 3.82 1.01 0.07 -4.73 120.40 124.10 2oxh s VAL 103 Ca 0.26 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 2oxh s VAL 103 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2oxh s VAL 103 CO 0.10 0.47 0.59 -0.54 0.00 0.00 0.00 175.10 175.72 2oxh s LYS 104 N 1.33 4.36 -0.24 2.72 1.02 -0.15 -2.09 119.74 126.69 2oxh s LYS 104 Ca 0.04 0.65 -0.10 0.00 0.02 0.00 0.00 55.97 56.59 2oxh s LYS 104 Cb -0.14 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 2oxh s LYS 104 CO -0.06 0.05 0.14 0.08 -0.92 0.00 0.00 175.35 174.65 2oxh s VAL 105 N 0.91 5.17 0.13 3.17 1.01 -1.26 -0.41 120.40 129.12 2oxh s VAL 105 Ca 0.31 0.12 -0.33 0.00 0.00 0.00 0.00 61.98 62.08 2oxh s VAL 105 Cb -0.16 -3.41 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 2oxh s VAL 105 CO 0.14 0.35 1.72 0.41 0.00 0.00 0.00 175.10 177.71 2oxh n THR 106 N 4.31 0.17 -1.54 3.92 -1.04 -0.96 -4.69 114.28 114.45 2oxh n THR 106 Ca -0.15 -0.03 -0.60 0.00 -2.04 0.00 0.00 64.05 61.22 2oxh n THR 106 Cb 0.52 -1.83 -0.09 0.00 -1.82 0.00 0.00 70.33 67.11 2oxh n THR 106 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2oxh n ILE 107 N 4.09 0.00 0.00 12.58 5.41 -1.26 0.18 119.36 140.36 2oxh n ILE 107 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2oxh n ILE 107 Cb 0.32 -0.45 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 2oxh n ILE 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2oxh n GLY 108 N 3.74 2.62 3.19 7.39 0.00 -1.26 -5.17 105.19 115.70 2oxh n GLY 108 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 2oxh n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oxh s GLY 109 N -2.42 2.93 0.30 -0.02 0.00 0.13 -5.02 107.32 103.22 2oxh s GLY 109 Ca 0.00 -3.65 0.08 0.00 0.00 0.00 0.00 44.72 41.15 2oxh s GLY 109 CO 0.00 1.21 -0.07 -0.32 0.00 0.00 0.00 173.10 173.93 2oxh s GLY 111 N 0.69 1.97 0.00 0.20 0.00 -0.28 0.10 107.32 110.01 2oxh s GLY 111 Ca 0.25 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 42.99 2oxh s GLY 111 CO -0.09 -1.91 0.00 0.61 0.00 0.00 0.00 173.10 171.71