#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrq n THR 6 N 0.00 0.00 0.06 0.52 -2.24 -1.26 -4.66 114.28 106.70 2wrq n THR 6 Ca 0.00 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2wrq n THR 6 Cb 0.00 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 2wrq n THR 6 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wrq h ILE 7 N -1.35 0.71 -0.09 2.28 5.03 -2.06 -0.28 117.51 121.75 2wrq h ILE 7 Ca -0.44 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.32 2wrq h ILE 7 Cb 1.31 0.71 -0.00 0.00 -3.03 0.00 0.00 36.82 35.80 2wrq h ILE 7 CO 0.29 0.00 0.31 -1.13 -0.68 0.00 0.00 178.15 176.94 2wrq h ASN 8 N -0.21 0.00 1.53 1.72 -0.73 -2.00 1.81 115.58 117.70 2wrq h ASN 8 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2wrq h ASN 8 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2wrq h ASN 8 CO -0.10 0.00 -0.45 1.56 -0.37 0.00 0.00 177.43 178.07 2wrq h GLN 9 N 0.00 0.00 0.04 6.67 4.20 -1.35 -3.10 115.11 121.56 2wrq h GLN 9 Ca 0.04 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 2wrq h GLN 9 Cb 0.66 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 2wrq h GLN 9 CO -0.00 0.00 -0.51 -0.07 -0.67 0.00 0.00 178.83 177.58 2wrq h LEU 10 N 0.00 0.12 -1.38 1.46 3.38 0.32 -1.79 115.31 117.43 2wrq h LEU 10 Ca 0.00 -0.89 0.09 0.00 0.09 0.00 0.00 57.88 57.17 2wrq h LEU 10 Cb 0.99 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 2wrq h LEU 10 CO 0.00 1.22 0.50 0.58 0.09 0.00 0.00 178.44 180.83 2wrq h VAL 11 N -0.82 0.96 0.29 1.22 2.07 -1.39 1.80 116.25 120.39 2wrq h VAL 11 Ca -0.12 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2wrq h VAL 11 Cb 1.24 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2wrq h VAL 11 CO -0.00 0.13 -0.14 0.03 0.02 0.00 0.00 177.57 177.61 2wrq h ARG 12 N 0.71 -0.38 0.00 1.57 3.08 -1.59 -3.39 114.38 114.39 2wrq h ARG 12 Ca 0.35 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2wrq h ARG 12 Cb 0.41 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2wrq h ARG 12 CO -0.13 -0.07 -1.35 1.63 -1.07 0.00 0.00 179.97 178.99 2wrq n LYS 13 N -5.13 0.82 -1.28 0.04 5.02 -0.67 -5.10 118.16 111.85 2wrq n LYS 13 Ca -0.09 -0.09 0.16 0.00 -2.02 0.00 0.00 58.31 56.27 2wrq n LYS 13 Cb 0.25 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 2wrq n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrq n GLY 14 N 1.78 -1.97 3.80 0.72 0.00 0.61 -4.81 105.19 105.32 2wrq n GLY 14 Ca -0.01 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 2wrq n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrq s ARG 15 N -2.73 4.37 -0.22 1.61 1.81 -1.26 -4.97 118.95 117.56 2wrq s ARG 15 Ca 0.00 1.07 -0.20 0.00 -1.72 0.00 0.00 55.73 54.88 2wrq s ARG 15 Cb 0.00 -2.74 -0.02 0.00 -0.45 0.00 0.00 34.95 31.74 2wrq s ARG 15 CO 0.00 0.28 0.62 -2.00 -0.68 0.00 0.00 175.30 173.53 2wrq s GLU 16 N -2.21 4.17 0.93 3.54 2.56 -1.26 -5.05 118.70 121.37 2wrq s GLU 16 Ca 0.49 0.58 -0.12 0.00 0.00 0.00 0.00 54.97 55.91 2wrq s GLU 16 Cb -0.16 -3.61 0.15 0.00 2.00 0.00 0.00 34.13 32.51 2wrq s GLU 16 CO 0.21 -0.31 1.12 0.21 -0.56 0.00 0.00 175.26 175.93 2wrq s LYS 17 N 2.16 1.00 0.00 4.30 2.36 -1.26 -5.05 119.74 123.25 2wrq s LYS 17 Ca 0.27 0.41 0.00 0.00 -2.55 0.00 0.00 55.97 54.10 2wrq s LYS 17 Cb -0.16 -1.81 0.00 0.00 -1.05 0.00 0.00 37.83 34.81 2wrq s LYS 17 CO 0.09 -2.32 0.22 1.33 1.55 0.00 0.00 175.35 176.22 2wrq n VAL 18 N -3.87 0.00 -1.38 4.02 0.24 -1.26 -5.08 118.33 111.00 2wrq n VAL 18 Ca 0.06 0.54 0.00 0.00 -2.04 0.00 0.00 64.34 62.90 2wrq n VAL 18 Cb 0.58 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 2wrq n VAL 18 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2wrq n ARG 19 N -0.34 -3.91 -3.74 7.34 0.63 -1.26 -5.06 116.66 110.31 2wrq n ARG 19 Ca 0.00 2.87 -0.12 0.00 -0.92 0.00 0.00 57.85 59.67 2wrq n ARG 19 Cb 0.00 -3.19 -0.12 0.00 0.45 0.00 0.00 32.46 29.61 2wrq n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2wrq s LYS 20 N -3.30 0.32 1.39 -0.14 0.00 -1.26 -5.16 119.74 111.59 2wrq s LYS 20 Ca 0.00 0.52 -0.23 0.00 0.00 0.00 0.00 55.97 56.26 2wrq s LYS 20 Cb 0.00 0.06 0.35 0.00 0.00 0.00 0.00 37.83 38.24 2wrq s LYS 20 CO 0.00 -0.10 0.97 0.15 0.00 0.00 0.00 175.35 176.38 2wrq s LYS 21 N 0.69 -2.68 -0.26 1.78 1.02 -1.26 -4.98 119.74 114.04 2wrq s LYS 21 Ca -0.04 0.02 -0.11 0.00 0.02 0.00 0.00 55.97 55.86 2wrq s LYS 21 Cb -0.06 -1.42 -0.05 0.00 -0.52 0.00 0.00 37.83 35.79 2wrq s LYS 21 CO -0.04 -4.69 0.17 0.45 -0.92 0.00 0.00 175.35 170.32 2wrq s SER 22 N -3.40 5.97 0.00 2.83 0.15 -1.26 -4.94 113.70 113.05 2wrq s SER 22 Ca 0.70 0.01 0.04 0.00 0.70 0.00 0.00 55.95 57.40 2wrq s SER 22 Cb -0.11 -2.10 0.18 0.00 -1.71 0.00 0.00 66.02 62.28 2wrq s SER 22 CO 0.57 -0.01 1.05 1.17 1.20 0.00 0.00 173.24 177.21 2wrq n LYS 23 N 4.80 0.03 -3.19 5.44 4.81 -1.26 -4.32 118.16 124.46 2wrq n LYS 23 Ca -0.14 0.35 0.01 0.00 -0.87 0.00 0.00 58.31 57.66 2wrq n LYS 23 Cb 0.52 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 34.04 2wrq n LYS 23 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2wrq s VAL 24 N -2.81 -0.91 -1.17 3.15 1.01 -1.26 -5.01 120.40 113.41 2wrq s VAL 24 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2wrq s VAL 24 Cb 0.03 -0.96 0.09 0.00 0.00 0.00 0.00 36.38 35.53 2wrq s VAL 24 CO 0.07 -0.03 2.52 -0.81 0.00 0.00 0.00 175.10 176.85 2wrq n PRO 25 N 5.41 4.11 0.00 2.72 -0.04 -1.26 -4.48 135.00 141.46 2wrq n PRO 25 Ca -0.01 -3.13 0.03 0.00 -0.04 0.00 0.00 63.50 60.35 2wrq n PRO 25 Cb 0.51 -2.55 0.16 0.00 -0.04 0.00 0.00 33.50 31.58 2wrq n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrq n ALA 26 N 1.72 2.14 -0.61 0.55 0.00 -1.26 -4.92 120.51 118.13 2wrq n ALA 26 Ca 0.61 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 54.10 2wrq n ALA 26 Cb 0.31 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 2wrq n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrq n LEU 27 N -0.64 -0.38 -1.91 0.00 7.99 -1.26 -4.54 117.00 116.27 2wrq n LEU 27 Ca 0.04 0.86 0.00 0.00 -0.01 0.00 0.00 56.01 56.90 2wrq n LEU 27 Cb 0.02 -1.97 0.00 0.00 -0.11 0.00 0.00 43.42 41.36 2wrq n LEU 27 CO 0.03 -1.27 0.00 0.29 -1.51 0.00 0.00 177.39 174.93 2wrq n LYS 28 N -3.26 -0.73 -3.22 3.23 5.02 -1.26 0.09 118.16 118.03 2wrq n LYS 28 Ca -0.02 -0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 55.99 2wrq n LYS 28 Cb 0.29 0.09 -0.04 0.00 -0.02 0.00 0.00 35.03 35.34 2wrq n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrq n GLY 29 N -0.71 -0.25 3.82 0.72 0.00 -1.26 -4.81 105.19 102.69 2wrq n GLY 29 Ca 0.00 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2wrq n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrq s ALA 30 N -2.27 2.93 0.00 4.61 0.00 0.11 -5.02 121.76 122.12 2wrq s ALA 30 Ca 0.47 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2wrq s ALA 30 Cb -0.27 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2wrq s ALA 30 CO 0.57 -0.30 0.41 -2.30 0.00 0.00 0.00 175.76 174.14 2wrq n PRO 31 N -1.28 0.00 -1.25 0.00 -0.02 -1.26 -4.88 135.00 126.32 2wrq n PRO 31 Ca 0.08 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2wrq n PRO 31 Cb 0.53 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 2wrq n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wrq n PHE 32 N -0.85 -1.21 -3.17 6.00 3.72 -1.26 -4.77 117.46 115.92 2wrq n PHE 32 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 2wrq n PHE 32 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 2wrq n PHE 32 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2wrq s ARG 33 N -1.30 0.03 0.80 -1.08 3.52 -0.60 -4.93 118.95 115.38 2wrq s ARG 33 Ca 0.00 0.08 -0.14 0.00 -0.13 0.00 0.00 55.73 55.54 2wrq s ARG 33 Cb 0.00 0.05 0.06 0.00 -1.56 0.00 0.00 34.95 33.50 2wrq s ARG 33 CO 0.00 -0.02 1.08 -2.13 -0.81 0.00 0.00 175.30 173.43 2wrq n ARG 34 N 4.75 0.23 -3.49 5.12 0.63 -1.26 -1.82 116.66 120.82 2wrq n ARG 34 Ca -0.07 0.15 -0.16 0.00 -0.92 0.00 0.00 57.85 56.85 2wrq n ARG 34 Cb 0.55 -2.34 -0.05 0.00 0.45 0.00 0.00 32.46 31.08 2wrq n ARG 34 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2wrq s GLY 35 N -1.98 -0.58 -0.28 5.14 0.00 -0.81 -2.70 107.32 106.11 2wrq s GLY 35 Ca 0.72 1.07 -0.15 0.00 0.00 0.00 0.00 44.72 46.36 2wrq s GLY 35 CO 0.52 0.69 0.36 0.14 0.00 0.00 0.00 173.10 174.81 2wrq s VAL 36 N -2.05 5.18 -0.05 1.40 1.01 -0.92 -1.15 120.40 123.81 2wrq s VAL 36 Ca -0.06 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 2wrq s VAL 36 Cb -0.00 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 2wrq s VAL 36 CO 0.02 0.11 1.86 0.00 0.00 0.00 0.00 175.10 177.10 2wrq n THR 38 N 5.87 0.00 -3.69 0.00 5.66 0.11 -2.45 114.28 119.78 2wrq n THR 38 Ca 0.20 -0.25 -0.11 0.00 -3.05 0.00 0.00 64.05 60.85 2wrq n THR 38 Cb 0.42 0.57 -0.10 0.00 -1.55 0.00 0.00 70.33 69.68 2wrq n THR 38 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2wrq s VAL 39 N -2.83 -0.01 -0.72 1.08 1.01 -1.06 -4.80 120.40 113.07 2wrq s VAL 39 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2wrq s VAL 39 Cb 0.11 -0.71 0.24 0.00 0.00 0.00 0.00 36.38 36.03 2wrq s VAL 39 CO 0.67 0.02 0.80 0.52 0.00 0.00 0.00 175.10 177.11 2wrq n VAL 40 N 3.80 2.66 -0.74 2.92 0.31 -1.26 0.17 118.33 126.18 2wrq n VAL 40 Ca -0.20 -5.24 -0.03 0.00 -0.01 0.00 0.00 64.34 58.86 2wrq n VAL 40 Cb 0.56 -2.14 0.02 0.00 -0.91 0.00 0.00 33.84 31.38 2wrq n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wrq n ARG 41 N 1.20 -0.85 -3.87 5.55 0.00 -0.86 -4.95 116.66 112.87 2wrq n ARG 41 Ca 0.27 -0.20 -0.11 0.00 -0.00 0.00 0.00 57.85 57.81 2wrq n ARG 41 Cb 0.39 -0.16 -0.12 0.00 0.00 0.00 0.00 32.46 32.56 2wrq n ARG 41 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2wrq s THR 42 N -1.24 0.03 -0.04 5.15 -1.32 -1.26 -3.82 115.64 113.13 2wrq s THR 42 Ca 0.08 -0.26 -0.03 0.00 -1.21 0.00 0.00 61.69 60.26 2wrq s THR 42 Cb -0.01 -0.18 0.02 0.00 -1.51 0.00 0.00 72.50 70.82 2wrq s THR 42 CO 0.06 -0.14 0.10 0.68 -2.21 0.00 0.00 174.62 173.10 2wrq s VAL 43 N -0.43 -0.01 0.18 5.08 -7.23 -0.70 -4.95 120.40 112.33 2wrq s VAL 43 Ca -0.05 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.87 2wrq s VAL 43 Cb -0.03 -0.16 -0.08 0.00 0.56 0.00 0.00 36.38 36.67 2wrq s VAL 43 CO 0.00 0.02 1.16 0.28 -0.31 0.00 0.00 175.10 176.25 2wrq s THR 44 N 0.35 3.69 0.39 5.32 -1.32 -1.26 -1.50 115.64 121.31 2wrq s THR 44 Ca -0.03 1.44 -0.07 0.00 -1.21 0.00 0.00 61.69 61.83 2wrq s THR 44 Cb -0.04 -3.92 0.10 0.00 -1.51 0.00 0.00 72.50 67.14 2wrq s THR 44 CO -0.01 0.24 0.26 -2.65 -2.21 0.00 0.00 174.62 170.25 2wrq n PRO 45 N 2.42 -2.48 0.00 7.08 -0.02 -1.25 -4.95 135.00 135.81 2wrq n PRO 45 Ca 0.04 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 2wrq n PRO 45 Cb 0.45 -0.51 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 2wrq n PRO 45 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wrq n LYS 46 N -2.90 0.00 0.00 -0.52 4.81 -0.61 -4.97 118.16 113.98 2wrq n LYS 46 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2wrq n LYS 46 Cb 0.17 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.22 2wrq n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2wrq n LYS 47 N 0.00 0.00 -0.49 1.64 4.81 -1.26 -4.77 118.16 118.08 2wrq n LYS 47 Ca 0.00 0.00 0.40 0.00 -0.87 0.00 0.00 58.31 57.84 2wrq n LYS 47 Cb 0.00 0.00 0.69 0.00 0.02 0.00 0.00 35.03 35.74 2wrq n LYS 47 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2wrq h PRO 48 N 0.00 0.05 -6.25 1.64 0.13 -2.01 -3.40 132.00 122.15 2wrq h PRO 48 Ca 0.00 -0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2wrq h PRO 48 Cb 0.00 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.01 2wrq h PRO 48 CO 0.00 0.03 -0.63 -0.80 -0.23 0.00 0.00 178.00 176.37 2wrq s ASN 49 N -4.36 5.29 0.03 1.44 0.02 -1.26 -5.13 114.94 110.97 2wrq s ASN 49 Ca -0.07 -0.08 0.02 0.00 -1.02 0.00 0.00 52.86 51.70 2wrq s ASN 49 Cb 0.29 -1.35 -0.02 0.00 0.02 0.00 0.00 41.25 40.19 2wrq s ASN 49 CO 0.83 0.18 -0.07 -0.55 0.02 0.00 0.00 177.10 177.52 2wrq s SER 50 N -2.32 0.71 0.00 -1.22 0.15 -1.26 -4.32 113.70 105.43 2wrq s SER 50 Ca 0.27 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2wrq s SER 50 Cb -0.12 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2wrq s SER 50 CO 0.20 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.46 2wrq n ALA 51 N 1.71 0.00 -3.81 5.45 0.00 -1.26 -5.01 120.51 117.58 2wrq n ALA 51 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 2wrq n ALA 51 Cb 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 2wrq n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrq n LEU 52 N 0.00 2.84 -4.68 0.00 4.77 -1.26 -3.81 117.00 114.87 2wrq n LEU 52 Ca 0.00 -5.18 -0.47 0.00 -0.03 0.00 0.00 56.01 50.34 2wrq n LEU 52 Cb 0.00 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.40 2wrq n LEU 52 CO 0.00 1.80 1.37 0.54 -1.33 0.00 0.00 177.39 179.76 2wrq n ARG 53 N 1.90 2.23 -2.55 3.23 3.00 -0.56 -4.59 116.66 119.32 2wrq n ARG 53 Ca 0.22 0.81 -0.42 0.00 -0.01 0.00 0.00 57.85 58.45 2wrq n ARG 53 Cb 0.37 -2.63 -0.02 0.00 0.00 0.00 0.00 32.46 30.17 2wrq n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wrq s LYS 54 N 2.63 3.50 0.21 5.56 3.01 -1.26 -1.73 119.74 131.67 2wrq s LYS 54 Ca 0.86 0.32 0.06 0.00 -1.01 0.00 0.00 55.97 56.20 2wrq s LYS 54 Cb -0.66 -4.02 -0.05 0.00 -1.01 0.00 0.00 37.83 32.09 2wrq s LYS 54 CO 0.44 -1.69 -0.10 0.54 0.51 0.00 0.00 175.35 175.05 2wrq s VAL 55 N 5.09 1.50 0.01 3.17 0.11 -1.25 0.29 120.40 129.33 2wrq s VAL 55 Ca 0.45 -2.14 -0.06 0.00 -2.93 0.00 0.00 61.98 57.31 2wrq s VAL 55 Cb -0.08 -2.11 -0.01 0.00 -1.53 0.00 0.00 36.38 32.65 2wrq s VAL 55 CO 0.26 -0.54 0.10 0.00 -3.33 0.00 0.00 175.10 171.59 2wrq s ALA 56 N -3.12 -0.19 -0.20 1.54 0.00 -0.57 -2.04 121.76 117.18 2wrq s ALA 56 Ca 0.23 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 2wrq s ALA 56 Cb 0.02 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2wrq s ALA 56 CO 0.07 -0.22 0.13 0.15 0.00 0.00 0.00 175.76 175.88 2wrq s LYS 57 N -1.66 4.19 0.08 0.00 1.02 0.13 -1.42 119.74 122.06 2wrq s LYS 57 Ca -0.13 -0.22 0.10 0.00 0.02 0.00 0.00 55.97 55.74 2wrq s LYS 57 Cb -0.07 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 2wrq s LYS 57 CO -0.00 0.29 -0.25 0.08 -0.92 0.00 0.00 175.35 174.55 2wrq s VAL 58 N 0.38 2.28 -0.52 3.17 1.01 -1.04 -0.71 120.40 124.97 2wrq s VAL 58 Ca 0.08 -1.50 -0.10 0.00 0.00 0.00 0.00 61.98 60.46 2wrq s VAL 58 Cb -0.11 -1.94 0.13 0.00 0.00 0.00 0.00 36.38 34.46 2wrq s VAL 58 CO -0.02 0.26 0.41 -0.60 0.00 0.00 0.00 175.10 175.15 2wrq s ARG 59 N -1.57 2.64 0.76 2.72 3.52 -0.80 -2.47 118.95 123.76 2wrq s ARG 59 Ca 0.13 -1.86 -0.13 0.00 -0.13 0.00 0.00 55.73 53.74 2wrq s ARG 59 Cb -0.10 -4.01 0.06 0.00 -1.56 0.00 0.00 34.95 29.34 2wrq s ARG 59 CO 0.04 -1.22 1.16 -0.51 -0.81 0.00 0.00 175.30 173.96 2wrq s LEU 60 N 1.22 3.20 0.00 -0.88 2.01 -1.07 -2.17 118.68 120.98 2wrq s LEU 60 Ca 0.07 2.20 0.04 0.00 0.01 0.00 0.00 54.13 56.44 2wrq s LEU 60 Cb -0.25 -4.57 0.18 0.00 0.01 0.00 0.00 46.19 41.55 2wrq s LEU 60 CO -0.01 -2.30 1.01 0.35 1.01 0.00 0.00 176.35 176.41 2wrq n THR 61 N -3.08 1.28 -1.73 5.49 -2.24 -1.10 -2.61 114.28 110.30 2wrq n THR 61 Ca 0.12 0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.85 2wrq n THR 61 Cb 0.51 -1.26 0.04 0.00 -2.10 0.00 0.00 70.33 67.52 2wrq n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wrq n SER 62 N -1.37 7.42 -0.74 3.42 3.41 -1.26 -4.86 113.62 119.64 2wrq n SER 62 Ca 0.01 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 2wrq n SER 62 Cb 0.03 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 2wrq n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrq n GLY 63 N -0.42 0.00 2.99 5.00 0.00 -1.07 -4.82 105.19 106.87 2wrq n GLY 63 Ca 0.54 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 2wrq n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wrq n TYR 64 N -0.74 -1.92 -3.15 1.61 4.02 -1.25 -4.99 117.16 110.74 2wrq n TYR 64 Ca 0.00 -1.69 0.05 0.00 -0.01 0.00 0.00 57.90 56.26 2wrq n TYR 64 Cb 0.00 -0.40 -0.00 0.00 -0.02 0.00 0.00 39.34 38.92 2wrq n TYR 64 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2wrq s GLU 65 N -3.94 0.20 0.23 -0.72 2.12 -1.26 -2.59 118.70 112.74 2wrq s GLU 65 Ca 0.40 0.24 0.05 0.00 0.36 0.00 0.00 54.97 56.01 2wrq s GLU 65 Cb -0.03 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.42 2wrq s GLU 65 CO 0.25 -0.33 -0.05 0.14 -0.54 0.00 0.00 175.26 174.73 2wrq s VAL 66 N 2.94 1.27 0.11 3.70 -7.23 -1.03 -4.97 120.40 115.20 2wrq s VAL 66 Ca 0.19 -2.08 -0.27 0.00 -1.81 0.00 0.00 61.98 58.01 2wrq s VAL 66 Cb -0.05 -2.26 -0.07 0.00 0.56 0.00 0.00 36.38 34.57 2wrq s VAL 66 CO -0.20 -0.41 0.84 -0.89 -0.31 0.00 0.00 175.10 174.13 2wrq s THR 67 N -3.26 4.51 -0.04 5.32 2.01 -1.26 -2.49 115.64 120.43 2wrq s THR 67 Ca 0.26 1.82 0.01 0.00 0.31 0.00 0.00 61.69 64.09 2wrq s THR 67 Cb 0.04 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2wrq s THR 67 CO 0.08 0.40 -0.05 0.00 -0.69 0.00 0.00 174.62 174.37 2wrq s ALA 68 N -0.42 0.64 0.40 7.40 0.00 -0.51 -4.11 121.76 125.16 2wrq s ALA 68 Ca 0.40 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 2wrq s ALA 68 Cb -0.22 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.42 2wrq s ALA 68 CO 0.27 0.01 1.01 -0.47 0.00 0.00 0.00 175.76 176.58 2wrq s TYR 69 N 0.78 3.34 -0.19 0.00 5.04 -0.98 -1.51 117.35 123.82 2wrq s TYR 69 Ca -0.10 1.66 -0.08 0.00 -2.44 0.00 0.00 57.07 56.11 2wrq s TYR 69 Cb -0.13 -3.03 -0.04 0.00 0.35 0.00 0.00 41.96 39.11 2wrq s TYR 69 CO 0.00 -0.37 0.09 0.42 -1.34 0.00 0.00 175.55 174.35 2wrq s ILE 70 N -1.77 4.98 0.73 3.14 1.01 0.15 -2.25 121.20 127.18 2wrq s ILE 70 Ca 0.58 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.21 2wrq s ILE 70 Cb -0.18 -3.26 0.09 0.00 0.01 0.00 0.00 42.46 39.12 2wrq s ILE 70 CO 0.23 0.44 1.03 -2.84 0.00 0.00 0.00 174.94 173.81 2wrq s PRO 71 N 0.45 1.88 0.26 2.79 0.02 -1.26 -4.62 135.00 134.52 2wrq s PRO 71 Ca 0.05 -0.53 0.00 0.00 0.02 0.00 0.00 61.00 60.53 2wrq s PRO 71 Cb -0.12 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.20 2wrq s PRO 71 CO -0.00 -1.40 0.00 0.41 -0.33 0.00 0.00 177.00 175.68 2wrq n GLY 72 N -2.96 -1.79 3.59 0.52 0.00 -1.26 -4.75 105.19 98.55 2wrq n GLY 72 Ca 0.11 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 2wrq n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrq s GLU 73 N -2.00 3.92 0.00 1.61 2.02 -1.26 -4.93 118.70 118.06 2wrq s GLU 73 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.05 2wrq s GLU 73 Cb 0.00 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.53 2wrq s GLU 73 CO 0.00 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2wrq n GLY 74 N 4.63 -1.75 3.64 -1.39 0.00 -1.26 -4.95 105.19 104.11 2wrq n GLY 74 Ca -0.06 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.41 2wrq n GLY 74 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wrq s HIS 75 N -2.03 -0.01 -0.76 1.61 -3.43 -1.26 -4.94 115.29 104.47 2wrq s HIS 75 Ca 0.00 0.00 0.03 0.00 -0.80 0.00 0.00 55.06 54.29 2wrq s HIS 75 Cb 0.00 0.50 0.33 0.00 -1.43 0.00 0.00 32.58 31.98 2wrq s HIS 75 CO 0.00 -0.01 1.28 0.27 -2.00 0.00 0.00 174.74 174.28 2wrq n ASN 76 N -0.05 5.59 -4.48 7.38 6.94 -1.26 -5.05 115.26 124.33 2wrq n ASN 76 Ca 0.04 -3.68 -0.33 0.00 -0.02 0.00 0.00 54.58 50.59 2wrq n ASN 76 Cb 0.57 -0.80 -0.12 0.00 -2.36 0.00 0.00 39.78 37.06 2wrq n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wrq s LEU 77 N -3.77 3.13 0.42 -4.53 1.43 -1.26 -4.69 118.68 109.41 2wrq s LEU 77 Ca 0.45 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 2wrq s LEU 77 Cb 0.24 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 2wrq s LEU 77 CO -0.13 0.19 0.38 -1.10 0.23 0.00 0.00 176.35 175.92 2wrq s GLN 78 N 0.24 2.51 0.00 1.70 -0.21 -1.26 -4.91 119.66 117.73 2wrq s GLN 78 Ca -0.04 -1.57 0.04 0.00 0.02 0.00 0.00 55.36 53.81 2wrq s GLN 78 Cb -0.14 -2.36 0.23 0.00 1.00 0.00 0.00 33.01 31.74 2wrq s GLN 78 CO 0.03 -0.22 0.58 -1.91 -2.12 0.00 0.00 175.29 171.65 2wrq n GLU 79 N -1.56 0.26 -2.05 2.91 0.00 -1.26 -2.78 120.64 116.15 2wrq n GLU 79 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.17 2wrq n GLU 79 Cb 0.62 -1.23 0.04 0.00 0.00 0.00 0.00 31.44 30.87 2wrq n GLU 79 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2wrq n HIS 80 N -0.73 -0.51 -3.31 4.31 1.44 -1.03 -3.73 115.22 111.66 2wrq n HIS 80 Ca 0.03 -1.27 -0.38 0.00 -2.01 0.00 0.00 57.72 54.08 2wrq n HIS 80 Cb 0.01 0.65 -0.07 0.00 0.12 0.00 0.00 29.99 30.70 2wrq n HIS 80 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2wrq s SER 81 N -1.76 6.59 0.71 4.39 0.01 -1.12 -4.70 113.70 117.82 2wrq s SER 81 Ca 0.14 0.70 -0.16 0.00 1.31 0.00 0.00 55.95 57.94 2wrq s SER 81 Cb 0.29 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 64.27 2wrq s SER 81 CO -0.08 -0.08 1.23 -0.69 0.41 0.00 0.00 173.24 174.04 2wrq s VAL 82 N 1.11 2.19 0.25 3.43 1.01 -1.26 -2.34 120.40 124.78 2wrq s VAL 82 Ca 0.24 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 2wrq s VAL 82 Cb -0.15 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2wrq s VAL 82 CO 0.09 -0.04 0.35 -0.69 0.00 0.00 0.00 175.10 174.81 2wrq s VAL 83 N -1.80 0.00 -0.07 2.92 1.01 -0.30 -3.47 120.40 118.69 2wrq s VAL 83 Ca 0.77 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 61.13 2wrq s VAL 83 Cb -0.32 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2wrq s VAL 83 CO 0.44 0.00 -0.18 -0.22 0.00 0.00 0.00 175.10 175.13 2wrq s LEU 84 N -3.11 1.89 -0.21 3.92 0.20 -1.26 -1.92 118.68 118.19 2wrq s LEU 84 Ca 0.30 -0.41 -0.09 0.00 0.69 0.00 0.00 54.13 54.61 2wrq s LEU 84 Cb 0.02 -1.09 -0.05 0.00 -0.43 0.00 0.00 46.19 44.64 2wrq s LEU 84 CO 0.12 0.12 0.12 -0.63 -0.29 0.00 0.00 176.35 175.79 2wrq s ILE 85 N 0.33 5.19 0.00 6.68 1.09 -0.75 0.38 121.20 134.12 2wrq s ILE 85 Ca -0.12 0.12 0.00 0.00 -1.10 0.00 0.00 60.65 59.54 2wrq s ILE 85 Cb -0.15 -3.38 0.00 0.00 -1.06 0.00 0.00 42.46 37.87 2wrq s ILE 85 CO 0.05 0.41 0.00 -1.14 -0.10 0.00 0.00 174.94 174.16 2wrq n ARG 86 N 3.80 0.00 -1.67 2.79 0.63 0.41 -1.57 116.66 121.06 2wrq n ARG 86 Ca -0.16 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.77 2wrq n ARG 86 Cb 0.52 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.46 2wrq n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wrq n GLY 87 N 5.00 -0.27 3.26 5.14 0.00 -1.26 -4.63 105.19 112.44 2wrq n GLY 87 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2wrq n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrq s GLY 88 N -0.27 1.32 0.21 -0.02 0.00 -1.25 -4.85 107.32 102.46 2wrq s GLY 88 Ca 0.02 -1.02 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 2wrq s GLY 88 CO -0.03 -0.55 0.54 1.09 0.00 0.00 0.00 173.10 174.16 2wrq s ARG 89 N -0.03 3.84 -0.93 2.90 1.04 -0.64 -1.69 118.95 123.44 2wrq s ARG 89 Ca -0.08 0.32 -0.00 0.00 -1.04 0.00 0.00 55.73 54.93 2wrq s ARG 89 Cb -0.15 -2.72 0.31 0.00 -2.04 0.00 0.00 34.95 30.35 2wrq s ARG 89 CO 0.05 0.36 1.40 0.28 -0.04 0.00 0.00 175.30 177.35 2wrq n VAL 90 N 0.09 4.81 -0.99 4.99 0.31 -1.18 -4.94 118.33 121.43 2wrq n VAL 90 Ca -0.01 -5.80 -0.05 0.00 -0.01 0.00 0.00 64.34 58.47 2wrq n VAL 90 Cb 0.52 -1.84 -0.02 0.00 -0.91 0.00 0.00 33.84 31.60 2wrq n VAL 90 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wrq n LYS 91 N 0.63 0.00 0.00 5.55 3.00 -1.26 -1.58 118.16 124.50 2wrq n LYS 91 Ca 0.34 -0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 2wrq n LYS 91 Cb 0.33 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.06 2wrq n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wrq n ASP 92 N 5.23 0.00 -3.89 3.14 2.03 -1.26 -5.10 116.55 116.70 2wrq n ASP 92 Ca 0.07 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.27 2wrq n ASP 92 Cb 0.36 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.66 2wrq n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wrq s LEU 93 N 0.00 1.64 0.00 -2.67 1.43 -0.62 -1.57 118.68 116.89 2wrq s LEU 93 Ca 0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2wrq s LEU 93 Cb 0.00 0.66 0.00 0.00 0.03 0.00 0.00 46.19 46.88 2wrq s LEU 93 CO 0.00 -0.43 0.00 -2.65 0.23 0.00 0.00 176.35 173.50 2wrq n PRO 94 N 1.16 2.77 -0.23 1.29 -0.02 -1.26 -4.38 135.00 134.32 2wrq n PRO 94 Ca -0.21 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.26 2wrq n PRO 94 Cb 0.57 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.04 2wrq n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrq n GLY 95 N 0.50 0.95 2.51 -1.23 0.00 -1.26 -4.42 105.19 102.23 2wrq n GLY 95 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2wrq n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrq n VAL 96 N 4.04 1.93 0.17 1.61 0.31 -1.26 -4.24 118.33 120.89 2wrq n VAL 96 Ca 0.01 -4.22 0.02 0.00 -0.01 0.00 0.00 64.34 60.14 2wrq n VAL 96 Cb 0.02 -0.57 0.09 0.00 -0.91 0.00 0.00 33.84 32.47 2wrq n VAL 96 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wrq n ARG 97 N -0.39 0.03 -4.43 5.55 1.74 -1.26 -3.08 116.66 114.83 2wrq n ARG 97 Ca 0.29 0.32 -0.26 0.00 -0.77 0.00 0.00 57.85 57.44 2wrq n ARG 97 Cb 0.74 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.57 2wrq n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wrq s TYR 98 N -2.75 2.33 0.01 -1.55 1.51 -1.13 -1.62 117.35 114.16 2wrq s TYR 98 Ca 0.03 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 2wrq s TYR 98 Cb 0.03 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 2wrq s TYR 98 CO 0.06 0.58 -0.09 -1.01 -1.11 0.00 0.00 175.55 173.98 2wrq s HIS 99 N -1.97 2.82 0.53 2.71 3.76 -0.68 -2.33 115.29 120.13 2wrq s HIS 99 Ca 0.24 -0.08 -0.10 0.00 -0.15 0.00 0.00 55.06 54.97 2wrq s HIS 99 Cb -0.07 -1.58 -0.05 0.00 1.11 0.00 0.00 32.58 31.99 2wrq s HIS 99 CO 0.12 0.35 0.92 0.42 -0.85 0.00 0.00 174.74 175.70 2wrq s ILE 100 N -0.99 4.74 -0.33 0.60 1.01 -0.96 0.16 121.20 125.44 2wrq s ILE 100 Ca 0.17 0.72 -0.03 0.00 0.00 0.00 0.00 60.65 61.51 2wrq s ILE 100 Cb -0.11 -3.82 0.06 0.00 0.01 0.00 0.00 42.46 38.60 2wrq s ILE 100 CO 0.07 -0.89 0.06 -0.69 0.00 0.00 0.00 174.94 173.49 2wrq s VAL 101 N -2.84 3.19 0.30 2.92 1.01 0.16 -4.60 120.40 120.54 2wrq s VAL 101 Ca 0.53 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 2wrq s VAL 101 Cb -0.11 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.27 2wrq s VAL 101 CO 0.44 -0.23 1.58 -0.13 0.00 0.00 0.00 175.10 176.76 2wrq s ARG 102 N 1.26 4.13 0.00 2.72 1.81 -1.26 -3.19 118.95 124.42 2wrq s ARG 102 Ca -0.02 2.56 0.00 0.00 -1.72 0.00 0.00 55.73 56.55 2wrq s ARG 102 Cb -0.20 -3.02 0.00 0.00 -0.45 0.00 0.00 34.95 31.27 2wrq s ARG 102 CO -0.01 -0.61 0.00 0.41 -0.68 0.00 0.00 175.30 174.41 2wrq n GLY 103 N 2.05 0.76 3.00 -3.53 0.00 -0.91 -3.73 105.19 102.83 2wrq n GLY 103 Ca 0.08 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 2wrq n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrq s VAL 104 N -2.00 0.72 0.00 1.61 1.01 -1.01 -4.90 120.40 115.83 2wrq s VAL 104 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2wrq s VAL 104 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2wrq s VAL 104 CO 0.00 0.22 0.00 -1.22 0.00 0.00 0.00 175.10 174.10 2wrq n TYR 105 N 3.09 -1.39 -0.26 5.22 0.53 -1.26 -2.80 117.16 120.29 2wrq n TYR 105 Ca -0.16 0.00 0.33 0.00 -1.02 0.00 0.00 57.90 57.05 2wrq n TYR 105 Cb 0.56 0.22 0.68 0.00 -1.03 0.00 0.00 39.34 39.77 2wrq n TYR 105 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 2wrq h ASP 106 N 0.00 0.00 -1.69 7.72 5.19 -1.92 -3.37 116.42 122.34 2wrq h ASP 106 Ca 0.00 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.96 2wrq h ASP 106 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2wrq h ASP 106 CO 0.00 0.00 1.38 0.00 -3.12 0.00 0.00 179.24 177.50 2wrq s ALA 107 N -4.72 1.85 1.42 3.45 0.00 -1.12 -4.91 121.76 117.73 2wrq s ALA 107 Ca -0.04 -0.43 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 2wrq s ALA 107 Cb 0.19 -4.35 0.33 0.00 0.00 0.00 0.00 23.12 19.30 2wrq s ALA 107 CO 0.67 -4.27 0.75 0.00 0.00 0.00 0.00 175.76 172.91 2wrq n ALA 108 N 14.39 -4.60 -1.71 0.00 0.00 -1.26 -2.24 120.51 125.09 2wrq n ALA 108 Ca 0.29 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2wrq n ALA 108 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2wrq n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrq n GLY 109 N -5.01 1.07 2.70 0.00 0.00 -1.26 -2.14 105.19 100.54 2wrq n GLY 109 Ca 0.12 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 2wrq n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrq s VAL 110 N 3.18 -0.14 0.51 1.61 1.01 -1.12 -4.77 120.40 120.68 2wrq s VAL 110 Ca 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 2wrq s VAL 110 Cb 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 36.38 36.11 2wrq s VAL 110 CO 0.00 0.16 0.99 -0.75 0.00 0.00 0.00 175.10 175.50 2wrq s LYS 111 N 2.19 3.92 0.00 2.72 2.20 -1.26 -3.69 119.74 125.83 2wrq s LYS 111 Ca 0.05 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 2wrq s LYS 111 Cb -0.12 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 2wrq s LYS 111 CO -0.04 -0.29 0.00 -0.25 -0.36 0.00 0.00 175.35 174.41 2wrq n ASP 112 N -1.50 0.00 -4.81 1.43 10.43 -1.26 -5.00 116.55 115.85 2wrq n ASP 112 Ca 0.07 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.09 2wrq n ASP 112 Cb 0.54 -0.47 -0.06 0.00 1.84 0.00 0.00 41.12 42.96 2wrq n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2wrq s ARG 113 N -0.18 4.28 0.00 -1.24 6.06 -1.24 -4.94 118.95 121.69 2wrq s ARG 113 Ca 0.00 1.22 0.00 0.00 -2.50 0.00 0.00 55.73 54.45 2wrq s ARG 113 Cb 0.00 -2.35 0.00 0.00 0.06 0.00 0.00 34.95 32.66 2wrq s ARG 113 CO 0.00 0.00 0.00 1.63 -2.50 0.00 0.00 175.30 174.43 2wrq n LYS 114 N -0.34 0.00 0.00 5.12 5.02 -1.26 -4.91 118.16 121.79 2wrq n LYS 114 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2wrq n LYS 114 Cb 0.53 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 2wrq n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wrq n LYS 115 N -1.16 0.99 -1.52 1.97 4.76 -1.26 -4.64 118.16 117.29 2wrq n LYS 115 Ca 0.00 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.20 2wrq n LYS 115 Cb 0.00 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 2wrq n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2wrq n SER 116 N 0.00 0.10 -0.08 4.39 7.64 -1.26 -4.68 113.62 119.73 2wrq n SER 116 Ca 0.00 -0.67 -0.11 0.00 1.01 0.00 0.00 58.87 59.10 2wrq n SER 116 Cb 0.00 -1.01 -0.05 0.00 -1.01 0.00 0.00 64.21 62.14 2wrq n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2wrq h ARG 117 N 12.53 0.00 -0.75 1.43 3.08 -1.89 -3.37 114.38 125.42 2wrq h ARG 117 Ca -0.02 0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.35 2wrq h ARG 117 Cb 1.14 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.06 2wrq h ARG 117 CO 1.37 0.38 0.41 0.45 -1.07 0.00 0.00 179.97 181.51 2wrq n SER 118 N -4.55 0.26 -4.34 7.04 2.88 -1.26 -1.65 113.62 112.00 2wrq n SER 118 Ca -0.17 1.24 -0.45 0.00 -1.33 0.00 0.00 58.87 58.15 2wrq n SER 118 Cb 0.42 -0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 63.22 2wrq n SER 118 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wrq s LYS 119 N -5.13 3.01 0.00 -1.46 1.02 -1.26 -4.34 119.74 111.58 2wrq s LYS 119 Ca -0.07 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.37 2wrq s LYS 119 Cb 0.25 -4.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 2wrq s LYS 119 CO 0.58 -1.34 0.00 0.66 -0.92 0.00 0.00 175.35 174.33 2wrq n TYR 120 N 5.52 0.00 0.00 3.18 0.53 -0.66 -4.84 117.16 120.90 2wrq n TYR 120 Ca -0.13 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.75 2wrq n TYR 120 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.72 2wrq n TYR 120 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2wrq n GLY 121 N 0.00 1.86 0.00 2.72 0.00 -1.19 -2.80 105.19 105.79 2wrq n GLY 121 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2wrq n GLY 121 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wrq n THR 122 N 0.00 0.00 -0.74 2.61 5.66 -1.26 -4.55 114.28 116.00 2wrq n THR 122 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 2wrq n THR 122 Cb 0.00 0.00 0.17 0.00 -1.55 0.00 0.00 70.33 68.95 2wrq n THR 122 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wrq n LYS 123 N 0.88 -2.61 -2.30 1.09 5.02 -1.26 -4.64 118.16 114.35 2wrq n LYS 123 Ca 0.00 -1.09 -0.39 0.00 -2.02 0.00 0.00 58.31 54.81 2wrq n LYS 123 Cb 0.00 -1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2wrq n LYS 123 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2wrq s LYS 124 N -4.55 2.93 -0.25 1.97 2.47 -1.26 -4.93 119.74 116.11 2wrq s LYS 124 Ca 0.45 0.08 -0.28 0.00 -1.56 0.00 0.00 55.97 54.66 2wrq s LYS 124 Cb -0.05 -4.39 -0.04 0.00 -1.46 0.00 0.00 37.83 31.88 2wrq s LYS 124 CO 0.35 -2.48 2.13 -1.25 0.16 0.00 0.00 175.35 174.25 2wrq s PRO 125 N 6.35 3.15 -0.14 4.03 0.04 -1.26 -4.81 135.00 142.35 2wrq s PRO 125 Ca 0.52 1.87 -0.39 0.00 0.04 0.00 0.00 61.00 63.04 2wrq s PRO 125 Cb -0.09 -4.34 -0.19 0.00 0.04 0.00 0.00 34.50 29.92 2wrq s PRO 125 CO 0.15 -2.08 1.14 1.17 0.04 0.00 0.00 177.00 177.42 2wrq n LYS 126 N 8.70 0.00 0.12 4.56 3.00 -1.26 -4.68 118.16 128.60 2wrq n LYS 126 Ca 0.28 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.63 2wrq n LYS 126 Cb 0.46 -1.39 0.21 0.00 0.00 0.00 0.00 35.03 34.31 2wrq n LYS 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wrq n GLU 127 N 2.10 0.06 -3.91 1.64 1.02 -1.26 -4.73 120.64 115.55 2wrq n GLU 127 Ca 0.22 0.47 -0.27 0.00 -0.02 0.00 0.00 57.16 57.55 2wrq n GLU 127 Cb 0.03 -2.05 0.01 0.00 -0.02 0.00 0.00 31.44 29.42 2wrq n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wrq n ALA 128 N -1.43 -1.66 0.00 0.62 0.00 -1.26 -5.34 120.51 111.44 2wrq n ALA 128 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wrq n ALA 128 Cb 0.38 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 16.94 2wrq n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50