#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8n n LEU 1 N 0.00 0.00 0.00 -3.43 -0.00 -1.26 -5.06 117.00 107.25 3m8n n LEU 1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3m8n n LEU 1 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3m8n n LEU 1 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 177.39 176.17 3m8n n TYR 2 N 0.00 0.00 -4.40 1.96 4.01 -1.25 -4.69 117.16 112.79 3m8n n TYR 2 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 3m8n n TYR 2 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 38.88 3m8n n TYR 2 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3m8n s LYS 3 N 0.00 3.25 -0.23 -0.72 2.20 -1.18 -0.79 119.74 122.27 3m8n s LYS 3 Ca 0.00 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.83 3m8n s LYS 3 Cb 0.00 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.61 3m8n s LYS 3 CO 0.00 -0.02 0.01 -1.17 -0.36 0.00 0.00 175.35 173.81 3m8n s LEU 4 N 0.92 3.20 -0.20 5.43 2.96 -0.04 -0.33 118.68 130.62 3m8n s LEU 4 Ca -0.03 -0.27 -0.25 0.00 -0.22 0.00 0.00 54.13 53.36 3m8n s LEU 4 Cb -0.15 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 3m8n s LEU 4 CO -0.01 -0.01 0.84 -0.31 -1.32 0.00 0.00 176.35 175.55 3m8n s TYR 5 N 1.41 3.37 0.00 5.38 2.02 0.12 -0.90 117.35 128.75 3m8n s TYR 5 Ca 0.05 1.22 0.00 0.00 -0.37 0.00 0.00 57.07 57.97 3m8n s TYR 5 Cb -0.15 -3.04 0.00 0.00 -0.40 0.00 0.00 41.96 38.37 3m8n s TYR 5 CO 0.01 -0.31 0.00 0.45 -1.57 0.00 0.00 175.55 174.12 3m8n n SER 6 N 5.58 0.00 -0.06 2.29 2.88 -0.07 -1.31 113.62 122.94 3m8n n SER 6 Ca 0.05 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.47 3m8n n SER 6 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 3m8n n SER 6 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3m8n n GLN 8 N 0.00 0.27 -1.86 -1.46 -0.06 -1.26 -0.74 117.38 112.28 3m8n n GLN 8 Ca 0.00 0.12 -0.38 0.00 -2.00 0.00 0.00 57.00 54.73 3m8n n GLN 8 Cb 0.00 -0.97 0.03 0.00 -4.06 0.00 0.00 30.24 25.24 3m8n n GLN 8 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3m8n n ARG 9 N -3.68 2.71 -4.58 3.69 1.74 -1.26 -4.76 116.66 110.52 3m8n n ARG 9 Ca -0.22 -3.38 -0.28 0.00 -0.77 0.00 0.00 57.85 53.20 3m8n n ARG 9 Cb 0.59 -2.26 -0.17 0.00 -1.02 0.00 0.00 32.46 29.61 3m8n n ARG 9 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3m8n s SER 10 N -0.93 2.36 0.17 0.55 0.15 -1.26 -5.03 113.70 109.71 3m8n s SER 10 Ca 0.53 -0.41 -0.14 0.00 0.70 0.00 0.00 55.95 56.63 3m8n s SER 10 Cb 0.43 -1.06 0.14 0.00 -1.71 0.00 0.00 66.02 63.82 3m8n s SER 10 CO -0.39 0.04 1.74 1.23 1.20 0.00 0.00 173.24 177.06 3m8n h GLY 11 N 7.22 0.57 1.36 9.45 0.00 -1.88 -1.30 103.07 118.48 3m8n h GLY 11 Ca -0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3m8n h GLY 11 CO 0.48 -0.01 0.21 3.43 0.00 0.00 0.00 176.54 180.66 3m8n h ASN 12 N 0.29 0.75 0.30 0.19 2.35 -1.92 -2.15 115.58 115.39 3m8n h ASN 12 Ca 0.22 -0.10 -0.21 0.00 -0.55 0.00 0.00 56.30 55.65 3m8n h ASN 12 Cb 0.24 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3m8n h ASN 12 CO -0.24 0.69 -0.87 0.28 -1.65 0.00 0.00 177.43 175.64 3m8n h SER 13 N 0.81 0.53 -0.31 5.81 0.02 -1.77 -3.25 113.55 115.39 3m8n h SER 13 Ca 0.19 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3m8n h SER 13 Cb 0.18 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3m8n h SER 13 CO -0.02 1.18 0.17 0.22 -1.14 0.00 0.00 176.83 177.25 3m8n h TYR 14 N 0.25 0.42 -0.88 3.45 3.20 -0.89 -2.11 116.97 120.41 3m8n h TYR 14 Ca -0.06 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.96 3m8n h TYR 14 Cb 1.49 -0.13 -0.15 0.00 1.54 0.00 0.00 36.73 39.47 3m8n h TYR 14 CO 0.06 0.33 -0.28 1.63 -1.64 0.00 0.00 178.16 178.26 3m8n n LYS 15 N -4.82 -0.14 -0.07 1.82 5.02 -0.84 -0.69 118.16 118.45 3m8n n LYS 15 Ca -0.01 1.36 -0.14 0.00 -2.02 0.00 0.00 58.31 57.50 3m8n n LYS 15 Cb 0.07 -2.03 -0.06 0.00 -0.02 0.00 0.00 35.03 32.99 3m8n n LYS 15 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3m8n h VAL 16 N 0.00 1.33 -0.35 -0.18 2.07 -1.59 -2.36 116.25 115.17 3m8n h VAL 16 Ca 0.37 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 3m8n h VAL 16 Cb 0.59 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3m8n h VAL 16 CO -0.89 0.45 0.06 0.03 0.02 0.00 0.00 177.57 177.24 3m8n h ARG 17 N 0.19 0.52 -0.14 1.57 3.08 -0.45 -1.42 114.38 117.73 3m8n h ARG 17 Ca 0.02 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3m8n h ARG 17 Cb 0.83 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 3m8n h ARG 17 CO 0.06 0.50 -0.01 1.25 -1.07 0.00 0.00 179.97 180.70 3m8n h LEU 18 N 0.51 0.26 -0.16 3.04 5.85 -0.87 -1.95 115.31 121.99 3m8n h LEU 18 Ca 0.12 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.54 3m8n h LEU 18 Cb 0.24 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3m8n h LEU 18 CO 0.00 0.53 -0.07 0.00 -0.34 0.00 0.00 178.44 178.56 3m8n h ALA 19 N 0.74 0.07 -0.75 1.25 0.00 -1.29 0.37 119.26 119.65 3m8n h ALA 19 Ca 0.04 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3m8n h ALA 19 Cb 0.40 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 3m8n h ALA 19 CO 0.01 -0.51 0.35 -0.07 0.00 0.00 0.00 179.25 179.04 3m8n h LEU 20 N -0.04 0.41 -0.25 0.00 3.38 -1.22 -0.29 115.31 117.30 3m8n h LEU 20 Ca 0.09 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3m8n h LEU 20 Cb 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3m8n h LEU 20 CO -0.19 0.20 -0.08 0.00 0.09 0.00 0.00 178.44 178.46 3m8n h ALA 21 N 1.50 0.34 -0.11 1.53 0.00 -0.88 0.10 119.26 121.74 3m8n h ALA 21 Ca 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3m8n h ALA 21 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3m8n h ALA 21 CO -0.33 0.16 -0.04 -0.07 0.00 0.00 0.00 179.25 178.97 3m8n h LEU 22 N 0.23 0.14 0.00 0.00 3.38 -0.64 -1.92 115.31 116.50 3m8n h LEU 22 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3m8n h LEU 22 Cb 0.55 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3m8n h LEU 22 CO 0.03 0.21 -0.22 0.18 0.09 0.00 0.00 178.44 178.73 3m8n n LEU 23 N -4.40 0.74 -3.63 1.67 4.77 -0.15 -4.94 117.00 111.06 3m8n n LEU 23 Ca -0.01 0.44 -0.24 0.00 -0.03 0.00 0.00 56.01 56.17 3m8n n LEU 23 Cb 0.18 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.06 3m8n n LEU 23 CO 0.36 -0.12 0.17 -0.67 -1.33 0.00 0.00 177.39 175.80 3m8n n ASP 24 N -2.16 -4.90 -4.67 -1.43 2.03 0.18 -4.97 116.55 100.63 3m8n n ASP 24 Ca 0.05 -0.62 -0.37 0.00 0.52 0.00 0.00 54.79 54.37 3m8n n ASP 24 Cb 0.43 -4.77 -0.08 0.00 -0.72 0.00 0.00 41.12 35.97 3m8n n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3m8n s ALA 25 N -3.35 3.58 0.30 -1.67 0.00 -0.21 -5.03 121.76 115.38 3m8n s ALA 25 Ca 0.45 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 3m8n s ALA 25 Cb -0.21 -2.49 -0.10 0.00 0.00 0.00 0.00 23.12 20.33 3m8n s ALA 25 CO 0.75 -0.25 1.21 -1.25 0.00 0.00 0.00 175.76 176.22 3m8n s PRO 26 N 1.20 4.49 0.16 0.00 0.04 -1.26 -4.75 135.00 134.88 3m8n s PRO 26 Ca 0.14 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 3m8n s PRO 26 Cb -0.14 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.30 3m8n s PRO 26 CO 0.06 -0.01 0.45 1.52 0.04 0.00 0.00 177.00 179.06 3m8n s TYR 27 N -1.10 -0.13 -0.22 0.56 -0.85 -1.26 -4.75 117.35 109.59 3m8n s TYR 27 Ca 0.47 -0.20 -0.13 0.00 -0.52 0.00 0.00 57.07 56.69 3m8n s TYR 27 Cb -0.36 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.23 3m8n s TYR 27 CO 0.47 -0.79 0.26 0.50 -1.52 0.00 0.00 175.55 174.47 3m8n s ARG 28 N -3.84 4.12 -0.10 -3.49 3.52 0.03 -4.87 118.95 114.32 3m8n s ARG 28 Ca 0.07 -0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 3m8n s ARG 28 Cb 0.01 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 3m8n s ARG 28 CO -0.07 0.03 0.07 0.00 -0.81 0.00 0.00 175.30 174.52 3m8n s ALA 29 N 1.14 3.60 -0.21 6.12 0.00 -1.26 -0.86 121.76 130.28 3m8n s ALA 29 Ca 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3m8n s ALA 29 Cb -0.14 -1.72 0.06 0.00 0.00 0.00 0.00 23.12 21.31 3m8n s ALA 29 CO 0.06 0.61 -0.04 0.08 0.00 0.00 0.00 175.76 176.47 3m8n s VAL 30 N -0.98 1.32 0.16 0.00 1.01 -0.08 -4.92 120.40 116.90 3m8n s VAL 30 Ca 0.15 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3m8n s VAL 30 Cb -0.12 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 3m8n s VAL 30 CO 0.04 -0.06 1.16 -0.70 0.00 0.00 0.00 175.10 175.54 3m8n s GLU 31 N 1.50 4.52 -0.19 2.72 2.56 -1.26 -0.89 118.70 127.67 3m8n s GLU 31 Ca -0.04 1.79 0.01 0.00 0.00 0.00 0.00 54.97 56.73 3m8n s GLU 31 Cb -0.18 -3.28 0.04 0.00 2.00 0.00 0.00 34.13 32.72 3m8n s GLU 31 CO -0.07 -0.06 -0.10 0.08 -0.56 0.00 0.00 175.26 174.55 3m8n s VAL 32 N 0.11 1.56 -0.90 3.70 1.01 0.08 -4.87 120.40 121.10 3m8n s VAL 32 Ca 0.53 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 3m8n s VAL 32 Cb -0.31 -1.63 0.12 0.00 0.00 0.00 0.00 36.38 34.56 3m8n s VAL 32 CO 0.34 0.19 1.12 -0.62 0.00 0.00 0.00 175.10 176.13 3m8n s ASP 33 N 1.44 6.56 0.73 3.32 2.15 -1.26 -4.82 116.67 124.79 3m8n s ASP 33 Ca -0.00 -1.89 -0.08 0.00 0.43 0.00 0.00 52.55 51.00 3m8n s ASP 33 Cb -0.16 -2.41 0.06 0.00 -0.30 0.00 0.00 42.92 40.11 3m8n s ASP 33 CO -0.08 -1.13 1.06 -0.63 -0.17 0.00 0.00 175.17 174.22 3m8n s ILE 34 N 2.96 2.34 -0.97 4.11 1.01 -1.26 -0.80 121.20 128.59 3m8n s ILE 34 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3m8n s ILE 34 Cb -0.06 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3m8n s ILE 34 CO -0.07 -0.06 0.00 0.18 0.00 0.00 0.00 174.94 174.98 3m8n n LEU 35 N -3.03 -0.43 0.00 2.97 4.77 -1.26 -4.84 117.00 115.19 3m8n n LEU 35 Ca 0.08 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3m8n n LEU 35 Cb 0.60 -2.00 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 3m8n n LEU 35 CO 0.54 -0.71 0.00 -1.14 -1.33 0.00 0.00 177.39 174.75 3m8n n ARG 36 N -1.79 0.00 0.00 3.23 0.63 -1.25 -5.11 116.66 112.37 3m8n n ARG 36 Ca -0.09 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 56.94 3m8n n ARG 36 Cb 0.42 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.27 3m8n n ARG 36 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3m8n n GLY 37 N 0.00 -0.37 0.26 5.14 0.00 -1.09 -4.75 105.19 104.38 3m8n n GLY 37 Ca 0.00 -0.57 0.17 0.00 0.00 0.00 0.00 46.02 45.62 3m8n n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m8n h GLU 38 N 1.23 0.00 -0.32 1.61 5.08 -1.34 -0.98 114.58 119.86 3m8n h GLU 38 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m8n h GLU 38 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3m8n h GLU 38 CO 0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 3m8n n SER 39 N -2.89 3.32 -0.00 1.42 3.41 -1.26 -4.09 113.62 113.53 3m8n n SER 39 Ca -0.00 -1.97 0.10 0.00 -0.26 0.00 0.00 58.87 56.74 3m8n n SER 39 Cb 0.23 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 63.85 3m8n n SER 39 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3m8n n ARG 40 N 1.41 0.23 -1.91 4.33 3.00 -0.38 -4.51 116.66 118.84 3m8n n ARG 40 Ca 0.18 -0.07 -0.33 0.00 -0.01 0.00 0.00 57.85 57.62 3m8n n ARG 40 Cb 0.59 -1.51 0.03 0.00 0.00 0.00 0.00 32.46 31.56 3m8n n ARG 40 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3m8n s THR 41 N -3.18 3.54 0.38 0.55 -4.23 -1.22 -4.78 115.64 106.70 3m8n s THR 41 Ca 0.03 0.72 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 3m8n s THR 41 Cb 0.15 -3.25 0.25 0.00 1.34 0.00 0.00 72.50 70.99 3m8n s THR 41 CO 0.88 -0.44 2.02 -0.65 -0.54 0.00 0.00 174.62 175.89 3m8n h PRO 42 N 0.25 0.65 -0.49 3.99 0.11 -1.95 0.13 132.00 134.69 3m8n h PRO 42 Ca -0.47 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 3m8n h PRO 42 Cb 1.23 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3m8n h PRO 42 CO 0.56 0.46 -0.12 0.22 -0.21 0.00 0.00 178.00 178.91 3m8n h ASP 43 N 0.67 0.95 -0.13 -2.05 3.58 -1.96 0.18 116.42 117.65 3m8n h ASP 43 Ca 0.18 -0.36 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 3m8n h ASP 43 Cb -0.03 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.76 3m8n h ASP 43 CO -0.03 1.09 -0.09 0.15 -2.88 0.00 0.00 179.24 177.48 3m8n h PHE 44 N 0.80 0.35 -0.02 0.28 3.57 -1.73 -3.00 116.94 117.19 3m8n h PHE 44 Ca 0.12 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3m8n h PHE 44 Cb 0.67 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 3m8n h PHE 44 CO 0.05 0.65 0.09 -0.07 -2.23 0.00 0.00 178.31 176.80 3m8n h LEU 45 N -0.06 0.00 -1.27 0.59 3.38 -0.60 0.81 115.31 118.15 3m8n h LEU 45 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3m8n h LEU 45 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3m8n h LEU 45 CO 0.02 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.25 3m8n h ALA 46 N 1.84 1.18 0.05 1.53 0.00 -0.49 -2.88 119.26 120.49 3m8n h ALA 46 Ca 0.01 -0.28 -0.36 0.00 0.00 0.00 0.00 54.91 54.28 3m8n h ALA 46 Cb 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3m8n h ALA 46 CO -0.00 0.39 -2.02 1.63 0.00 0.00 0.00 179.25 179.24 3m8n n LYS 47 N -3.72 0.67 -3.58 0.00 5.02 0.15 -4.82 118.16 111.88 3m8n n LYS 47 Ca -0.01 0.31 -0.28 0.00 -2.02 0.00 0.00 58.31 56.30 3m8n n LYS 47 Cb 0.41 -1.65 -0.16 0.00 -0.02 0.00 0.00 35.03 33.62 3m8n n LYS 47 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3m8n s ASN 48 N -6.95 3.22 0.57 4.39 3.04 -0.44 -4.81 114.94 113.97 3m8n s ASN 48 Ca -0.29 -1.11 0.36 0.00 0.04 0.00 0.00 52.86 51.86 3m8n s ASN 48 Cb 0.08 -0.36 1.44 0.00 -1.54 0.00 0.00 41.25 40.88 3m8n s ASN 48 CO 0.66 -0.41 1.66 -0.65 -3.04 0.00 0.00 177.10 175.32 3m8n h PRO 49 N 8.39 0.00 -0.00 0.43 0.11 -1.76 0.19 132.00 139.35 3m8n h PRO 49 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3m8n h PRO 49 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3m8n h PRO 49 CO 0.40 0.00 -0.21 0.43 -0.21 0.00 0.00 178.00 178.41 3m8n n SER 50 N -3.83 0.44 -3.76 -2.05 7.64 -1.26 -4.94 113.62 105.86 3m8n n SER 50 Ca 0.26 -0.29 -0.25 0.00 1.01 0.00 0.00 58.87 59.59 3m8n n SER 50 Cb 1.37 -0.05 0.04 0.00 -1.01 0.00 0.00 64.21 64.55 3m8n n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m8n n GLY 51 N 1.39 -0.42 3.51 0.23 0.00 0.66 -4.99 105.19 105.58 3m8n n GLY 51 Ca 0.10 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 3m8n n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m8n s GLN 52 N -6.25 1.86 -0.05 1.61 -1.52 -1.26 -4.81 119.66 109.24 3m8n s GLN 52 Ca 0.36 -1.25 0.06 0.00 -1.95 0.00 0.00 55.36 52.58 3m8n s GLN 52 Cb -0.18 -2.10 -0.01 0.00 -0.22 0.00 0.00 33.01 30.50 3m8n s GLN 52 CO 0.80 0.45 -0.24 0.54 -0.25 0.00 0.00 175.29 176.60 3m8n s VAL 53 N -1.42 1.96 0.54 1.09 0.11 -1.26 -4.49 120.40 116.94 3m8n s VAL 53 Ca 0.21 -1.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.19 3m8n s VAL 53 Cb -0.10 -1.66 0.00 0.00 -1.53 0.00 0.00 36.38 33.10 3m8n s VAL 53 CO 0.12 0.55 0.83 -2.16 -3.33 0.00 0.00 175.10 171.11 3m8n s PRO 54 N -0.22 3.03 -0.06 1.54 0.04 -1.26 -4.71 135.00 133.37 3m8n s PRO 54 Ca -0.01 -0.10 -0.02 0.00 0.04 0.00 0.00 61.00 60.90 3m8n s PRO 54 Cb -0.13 -2.36 0.04 0.00 0.04 0.00 0.00 34.50 32.09 3m8n s PRO 54 CO 0.03 -0.53 0.12 -1.17 0.04 0.00 0.00 177.00 175.49 3m8n s LEU 55 N -4.85 0.81 -0.26 -3.56 2.96 -0.43 -4.25 118.68 109.11 3m8n s LEU 55 Ca 0.52 0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 54.60 3m8n s LEU 55 Cb -0.10 0.27 -0.02 0.00 0.50 0.00 0.00 46.19 46.84 3m8n s LEU 55 CO 0.43 -0.14 0.06 -0.22 -1.32 0.00 0.00 176.35 175.17 3m8n s LEU 56 N 1.13 3.49 -0.46 -0.68 2.96 0.25 0.10 118.68 125.46 3m8n s LEU 56 Ca -0.09 -0.32 -0.25 0.00 -0.22 0.00 0.00 54.13 53.24 3m8n s LEU 56 Cb -0.12 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.70 3m8n s LEU 56 CO -0.05 -0.07 0.93 -0.70 -1.32 0.00 0.00 176.35 175.14 3m8n s GLU 57 N 1.58 3.53 -0.21 1.98 2.12 0.55 -0.18 118.70 128.07 3m8n s GLU 57 Ca 0.06 0.15 0.09 0.00 0.36 0.00 0.00 54.97 55.63 3m8n s GLU 57 Cb -0.15 -3.93 -0.21 0.00 0.26 0.00 0.00 34.13 30.09 3m8n s GLU 57 CO 0.03 -1.23 -0.02 0.25 -0.54 0.00 0.00 175.26 173.75 3m8n n THR 58 N 6.42 1.47 -4.37 -1.70 -2.24 -0.19 -3.09 114.28 110.58 3m8n n THR 58 Ca 0.06 -0.72 -0.19 0.00 -2.27 0.00 0.00 64.05 60.94 3m8n n THR 58 Cb 0.48 -0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 67.62 3m8n n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m8n s ALA 59 N -2.51 1.99 -0.31 6.98 0.00 -1.08 -4.78 121.76 122.04 3m8n s ALA 59 Ca -0.22 -1.88 -0.35 0.00 0.00 0.00 0.00 51.96 49.51 3m8n s ALA 59 Cb 0.07 0.63 -0.12 0.00 0.00 0.00 0.00 23.12 23.71 3m8n s ALA 59 CO 0.72 -0.30 2.10 -2.30 0.00 0.00 0.00 175.76 175.99 3m8n n PRO 60 N -0.52 1.24 -1.46 0.00 -0.02 -1.26 -1.13 135.00 131.85 3m8n n PRO 60 Ca -0.03 0.37 -0.16 0.00 -2.02 0.00 0.00 63.50 61.66 3m8n n PRO 60 Cb 0.65 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 3m8n n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m8n n GLY 61 N 6.01 1.55 3.37 -1.23 0.00 -1.26 -4.99 105.19 108.64 3m8n n GLY 61 Ca 0.37 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 3m8n n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m8n s ARG 62 N -3.32 3.44 0.04 1.61 6.06 -0.28 -5.08 118.95 121.42 3m8n s ARG 62 Ca 0.00 -0.62 0.09 0.00 -2.50 0.00 0.00 55.73 52.69 3m8n s ARG 62 Cb 0.00 -2.85 -0.03 0.00 0.06 0.00 0.00 34.95 32.13 3m8n s ARG 62 CO 0.00 0.05 -0.25 0.71 -2.50 0.00 0.00 175.30 173.31 3m8n s TYR 63 N 0.82 2.18 -0.12 5.12 2.02 -1.26 -1.02 117.35 125.09 3m8n s TYR 63 Ca -0.02 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 3m8n s TYR 63 Cb -0.15 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3m8n s TYR 63 CO 0.01 0.11 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.76 3m8n s LEU 64 N -1.20 2.45 0.49 -1.29 2.96 0.75 -4.95 118.68 117.89 3m8n s LEU 64 Ca 0.11 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3m8n s LEU 64 Cb -0.10 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.07 3m8n s LEU 64 CO 0.02 0.15 0.31 0.00 -1.32 0.00 0.00 176.35 175.51 3m8n s ALA 65 N 0.40 4.14 0.01 5.97 0.00 -1.26 -0.58 121.76 130.44 3m8n s ALA 65 Ca -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.33 3m8n s ALA 65 Cb -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.33 3m8n s ALA 65 CO 0.06 -0.31 0.00 0.39 0.00 0.00 0.00 175.76 175.90 3m8n n GLU 66 N -1.56 -0.69 0.07 0.00 -0.58 -1.26 -4.37 120.64 112.25 3m8n n GLU 66 Ca -0.02 0.93 0.06 0.00 -0.42 0.00 0.00 57.16 57.71 3m8n n GLU 66 Cb 0.64 -0.90 0.50 0.00 -0.57 0.00 0.00 31.44 31.11 3m8n n GLU 66 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3m8n h SER 67 N 0.55 0.31 0.38 1.62 4.64 -1.86 -0.10 113.55 119.09 3m8n h SER 67 Ca 0.00 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 3m8n h SER 67 Cb 0.00 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3m8n h SER 67 CO 0.00 0.22 -0.68 0.78 -0.87 0.00 0.00 176.83 176.28 3m8n h ASN 68 N 0.37 0.31 -0.18 4.97 4.21 -1.93 -0.06 115.58 123.27 3m8n h ASN 68 Ca 0.12 -0.20 -0.22 0.00 1.21 0.00 0.00 56.30 57.22 3m8n h ASN 68 Cb 0.04 -0.09 0.01 0.00 -1.12 0.00 0.00 38.32 37.16 3m8n h ASN 68 CO -0.03 0.90 -0.74 0.00 -1.29 0.00 0.00 177.43 176.28 3m8n h ALA 69 N 1.09 0.34 -0.91 -0.83 0.00 -1.59 -1.90 119.26 115.46 3m8n h ALA 69 Ca -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 3m8n h ALA 69 Cb 1.23 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3m8n h ALA 69 CO 0.11 0.68 0.50 0.82 0.00 0.00 0.00 179.25 181.37 3m8n h ILE 70 N 0.57 1.26 -0.50 0.00 2.04 -0.83 -1.01 117.51 119.05 3m8n h ILE 70 Ca -0.04 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3m8n h ILE 70 Cb 1.36 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3m8n h ILE 70 CO 0.15 0.29 0.23 -0.07 0.00 0.00 0.00 178.15 178.76 3m8n h LEU 71 N 1.27 0.66 -0.13 1.44 3.38 -0.92 -1.44 115.31 119.57 3m8n h LEU 71 Ca 0.32 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3m8n h LEU 71 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3m8n h LEU 71 CO -0.05 0.62 0.07 -0.25 0.09 0.00 0.00 178.44 178.91 3m8n h TRP 72 N 0.66 0.18 -0.54 1.13 2.91 -1.12 -1.16 115.95 118.01 3m8n h TRP 72 Ca 0.17 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.28 3m8n h TRP 72 Cb 0.14 -0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 28.66 3m8n h TRP 72 CO -0.00 0.19 0.14 -0.92 -1.03 0.00 0.00 178.44 176.82 3m8n h TYR 73 N 0.11 0.23 0.00 2.65 3.20 -0.98 -2.40 116.97 119.78 3m8n h TYR 73 Ca 0.04 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3m8n h TYR 73 Cb 0.08 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3m8n h TYR 73 CO -0.04 0.02 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.05 3m8n h LEU 74 N 0.28 0.00 0.00 2.82 3.38 -1.08 -3.22 115.31 117.49 3m8n h LEU 74 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3m8n h LEU 74 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3m8n h LEU 74 CO -0.33 0.38 -0.58 0.00 0.09 0.00 0.00 178.44 178.00 3m8n n ALA 75 N -2.27 3.63 -1.70 1.53 0.00 -0.46 -4.88 120.51 116.36 3m8n n ALA 75 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 3m8n n ALA 75 Cb 0.54 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 3m8n n ALA 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3m8n n VAL 76 N -1.55 0.28 -1.48 0.00 0.31 -1.04 -1.36 118.33 113.48 3m8n n VAL 76 Ca 0.05 -0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3m8n n VAL 76 Cb 0.34 -2.12 -0.03 0.00 -0.91 0.00 0.00 33.84 31.13 3m8n n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3m8n n GLY 77 N 4.19 0.84 3.63 2.92 0.00 -1.26 -5.03 105.19 110.49 3m8n n GLY 77 Ca 0.17 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3m8n n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m8n s THR 78 N -2.38 1.09 0.23 2.61 -4.23 -0.47 -5.03 115.64 107.48 3m8n s THR 78 Ca 0.00 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.86 3m8n s THR 78 Cb 0.00 -2.39 0.36 0.00 1.34 0.00 0.00 72.50 71.80 3m8n s THR 78 CO 0.00 0.00 2.06 0.77 -0.54 0.00 0.00 174.62 176.91 3m8n h SER 79 N 1.62 0.00 -0.04 3.99 4.64 -1.96 -2.47 113.55 119.32 3m8n h SER 79 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3m8n h SER 79 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3m8n h SER 79 CO 0.69 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.83 3m8n n LEU 80 N -2.78 1.62 -4.41 5.97 4.77 -1.26 -4.74 117.00 116.18 3m8n n LEU 80 Ca -0.01 -0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 55.06 3m8n n LEU 80 Cb 0.12 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 3m8n n LEU 80 CO 0.18 0.28 -0.41 0.00 -1.33 0.00 0.00 177.39 176.12 3m8n s ALA 81 N -1.96 2.77 1.04 -1.18 0.00 -0.93 -1.39 121.76 120.10 3m8n s ALA 81 Ca 0.37 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 3m8n s ALA 81 Cb 0.20 -1.38 0.21 0.00 0.00 0.00 0.00 23.12 22.15 3m8n s ALA 81 CO 0.32 0.16 1.11 -1.25 0.00 0.00 0.00 175.76 176.11 3m8n s PRO 82 N 0.48 0.12 -0.03 0.00 0.04 -1.26 -4.72 135.00 129.61 3m8n s PRO 82 Ca -0.07 0.28 -0.15 0.00 0.04 0.00 0.00 61.00 61.10 3m8n s PRO 82 Cb -0.15 -1.72 -0.32 0.00 0.04 0.00 0.00 34.50 32.35 3m8n s PRO 82 CO 0.04 -2.89 0.78 -0.44 0.04 0.00 0.00 177.00 174.53 3m8n h ASP 83 N -2.00 0.63 -1.89 6.66 3.32 -1.95 -3.43 116.42 117.76 3m8n h ASP 83 Ca -0.51 -0.92 -0.44 0.00 0.02 0.00 0.00 57.03 55.17 3m8n h ASP 83 Cb 1.32 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3m8n h ASP 83 CO 0.52 1.68 -0.36 0.42 -1.72 0.00 0.00 179.24 179.78 3m8n s THR 84 N -2.54 4.35 -0.47 0.35 -4.23 -1.26 -4.94 115.64 106.90 3m8n s THR 84 Ca -0.14 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3m8n s THR 84 Cb 0.04 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.37 3m8n s THR 84 CO 0.86 -0.20 0.00 -1.14 -0.54 0.00 0.00 174.62 173.61 3m8n n ARG 85 N -1.59 0.00 0.00 3.99 0.63 -1.26 -1.20 116.66 117.23 3m8n n ARG 85 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3m8n n ARG 85 Cb 0.58 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.41 3m8n n ARG 85 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3m8n n ASP 87 N 0.62 0.00 -0.12 6.15 8.00 -1.26 -1.54 116.55 128.40 3m8n n ASP 87 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3m8n n ASP 87 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3m8n n ASP 87 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3m8n h ARG 88 N 0.00 0.49 -0.80 -1.24 3.08 -1.43 -1.84 114.38 112.64 3m8n h ARG 88 Ca 0.00 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.09 3m8n h ARG 88 Cb 0.00 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 3m8n h ARG 88 CO 0.00 0.32 0.53 0.00 -1.07 0.00 0.00 179.97 179.75 3m8n h ALA 89 N 1.14 1.63 -0.47 0.04 0.00 -1.54 -1.66 119.26 118.41 3m8n h ALA 89 Ca 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3m8n h ALA 89 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3m8n h ALA 89 CO -0.04 0.24 -0.05 1.49 0.00 0.00 0.00 179.25 180.90 3m8n h GLU 90 N 0.86 0.81 -0.29 0.00 4.81 -1.72 0.19 114.58 119.23 3m8n h GLU 90 Ca 0.35 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3m8n h GLU 90 Cb 0.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3m8n h GLU 90 CO -0.12 0.84 -0.02 0.00 -0.73 0.00 0.00 179.01 178.98 3m8n h ALA 91 N 1.20 0.40 -0.96 2.92 0.00 -0.79 -2.86 119.26 119.16 3m8n h ALA 91 Ca 0.14 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3m8n h ALA 91 Cb 0.52 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3m8n h ALA 91 CO 0.03 0.16 0.63 -0.07 0.00 0.00 0.00 179.25 180.00 3m8n h LEU 92 N 0.31 1.03 -0.45 0.00 3.38 -0.90 -2.22 115.31 116.46 3m8n h LEU 92 Ca 0.08 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3m8n h LEU 92 Cb 0.46 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3m8n h LEU 92 CO 0.02 0.69 0.01 -0.61 0.09 0.00 0.00 178.44 178.64 3m8n h GLN 93 N 1.18 0.12 -1.64 1.13 4.15 -0.42 0.16 115.11 119.79 3m8n h GLN 93 Ca 0.39 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.81 3m8n h GLN 93 Cb 0.07 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3m8n h GLN 93 CO -0.13 0.08 0.00 0.91 -1.93 0.00 0.00 178.83 177.76 3m8n n TRP 94 N -5.20 0.00 0.00 3.99 7.02 -0.84 -2.11 117.44 120.30 3m8n n TRP 94 Ca 0.04 -0.47 0.00 0.00 -1.02 0.00 0.00 57.50 56.05 3m8n n TRP 94 Cb 0.24 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 28.83 3m8n n TRP 94 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3m8n n PHE 96 N 1.12 0.00 -0.17 -5.99 3.72 0.04 -1.29 117.46 114.89 3m8n n PHE 96 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 3m8n n PHE 96 Cb 0.33 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.94 3m8n n PHE 96 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3m8n h PHE 97 N 0.00 -0.05 -0.37 1.38 3.57 -1.67 -1.59 116.94 118.21 3m8n h PHE 97 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3m8n h PHE 97 Cb 0.00 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3m8n h PHE 97 CO 0.00 -0.13 0.21 1.49 -2.23 0.00 0.00 178.31 177.65 3m8n h GLU 98 N 0.11 0.50 0.01 1.11 4.22 -1.47 0.15 114.58 119.21 3m8n h GLU 98 Ca 0.28 -0.04 -0.21 0.00 0.08 0.00 0.00 59.36 59.47 3m8n h GLU 98 Cb 0.43 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3m8n h GLU 98 CO -0.46 0.36 -0.91 0.37 -2.18 0.00 0.00 179.01 176.19 3m8n h GLN 99 N 0.51 0.28 0.00 1.92 5.75 -1.58 -1.37 115.11 120.62 3m8n h GLN 99 Ca 0.13 -0.31 -0.08 0.00 -0.15 0.00 0.00 58.65 58.24 3m8n h GLN 99 Cb -0.00 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 3m8n h GLN 99 CO -0.02 1.02 -1.72 -2.39 -2.65 0.00 0.00 178.83 173.06 3m8n n HIS 100 N -3.69 0.40 -0.05 3.99 1.44 -0.93 -4.26 115.22 112.13 3m8n n HIS 100 Ca -0.05 0.12 -0.14 0.00 -2.01 0.00 0.00 57.72 55.64 3m8n n HIS 100 Cb 0.82 -0.79 -0.14 0.00 0.12 0.00 0.00 29.99 30.01 3m8n n HIS 100 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3m8n n ALA 101 N -2.34 1.31 -0.06 1.59 0.00 0.51 -4.75 120.51 116.78 3m8n n ALA 101 Ca -0.08 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.36 3m8n n ALA 101 Cb 0.70 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 3m8n n ALA 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m8n n LEU 102 N -3.14 2.65 -4.69 0.00 4.32 -0.59 -3.98 117.00 111.57 3m8n n LEU 102 Ca -0.30 -0.03 -0.42 0.00 -0.02 0.00 0.00 56.01 55.24 3m8n n LEU 102 Cb 1.06 -0.41 -0.03 0.00 -1.62 0.00 0.00 43.42 42.42 3m8n n LEU 102 CO 0.40 0.63 1.50 1.21 -1.22 0.00 0.00 177.39 179.92 3m8n n GLU 103 N -2.97 2.82 -0.69 3.23 4.07 -0.76 -4.98 120.64 121.37 3m8n n GLU 103 Ca -0.22 1.03 -0.32 0.00 -0.06 0.00 0.00 57.16 57.59 3m8n n GLU 103 Cb 0.72 -2.93 0.16 0.00 -0.06 0.00 0.00 31.44 29.33 3m8n n GLU 103 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3m8n n PRO 104 N 5.98 -0.84 0.00 5.31 -0.04 -1.26 -4.79 135.00 139.37 3m8n n PRO 104 Ca 0.18 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3m8n n PRO 104 Cb 0.38 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3m8n n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3m8n n ALA 126 N -4.14 0.00 -0.02 0.55 0.00 -1.26 -5.14 120.51 110.51 3m8n n ALA 126 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 3m8n n ALA 126 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 3m8n n ALA 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m8n h LEU 127 N 0.00 0.94 0.56 0.00 7.12 -2.06 -3.18 115.31 118.68 3m8n h LEU 127 Ca 0.00 -0.64 -0.02 0.00 0.13 0.00 0.00 57.88 57.35 3m8n h LEU 127 Cb 0.00 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 39.84 3m8n h LEU 127 CO 0.00 1.43 -0.43 -0.08 -0.13 0.00 0.00 178.44 179.23 3m8n h GLU 128 N 0.51 -0.92 -0.97 1.25 4.81 -2.04 -1.32 114.58 115.90 3m8n h GLU 128 Ca -0.06 0.06 0.32 0.00 -0.13 0.00 0.00 59.36 59.55 3m8n h GLU 128 Cb 1.44 0.21 -0.17 0.00 0.63 0.00 0.00 28.75 30.86 3m8n h GLU 128 CO 0.16 -0.61 0.30 0.22 -0.73 0.00 0.00 179.01 178.35 3m8n h ASP 129 N -0.95 0.00 -0.41 1.04 1.82 -1.98 0.13 116.42 116.06 3m8n h ASP 129 Ca -0.07 0.24 -0.12 0.00 -0.39 0.00 0.00 57.03 56.69 3m8n h ASP 129 Cb 0.79 0.33 -0.01 0.00 0.68 0.00 0.00 39.33 41.11 3m8n h ASP 129 CO 0.02 -0.31 -0.20 -0.25 -1.61 0.00 0.00 179.24 176.89 3m8n h TRP 130 N 0.09 1.04 -0.23 0.28 2.91 -1.48 0.79 115.95 119.34 3m8n h TRP 130 Ca 0.68 -0.24 -0.18 0.00 1.13 0.00 0.00 58.89 60.29 3m8n h TRP 130 Cb 1.58 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.98 3m8n h TRP 130 CO -0.23 1.03 -0.57 1.25 -1.03 0.00 0.00 178.44 178.88 3m8n h LEU 131 N 0.79 0.81 -0.40 0.65 5.85 0.32 -1.38 115.31 121.94 3m8n h LEU 131 Ca 0.11 -0.44 -0.18 0.00 0.84 0.00 0.00 57.88 58.20 3m8n h LEU 131 Cb 0.75 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3m8n h LEU 131 CO 0.06 1.20 -0.74 -0.33 -0.34 0.00 0.00 178.44 178.29 3m8n h GLU 132 N 0.55 0.39 -0.07 1.25 4.39 -0.96 -2.23 114.58 117.90 3m8n h GLU 132 Ca 0.01 -0.32 -0.20 0.00 0.34 0.00 0.00 59.36 59.18 3m8n h GLU 132 Cb 1.15 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3m8n h GLU 132 CO 0.12 0.96 -0.80 -0.09 -1.16 0.00 0.00 179.01 178.04 3m8n h ARG 133 N 0.26 0.48 -0.21 2.33 2.43 -0.80 -2.32 114.38 116.55 3m8n h ARG 133 Ca -0.03 -0.42 -0.13 0.00 -0.81 0.00 0.00 59.98 58.59 3m8n h ARG 133 Cb 1.31 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 3m8n h ARG 133 CO 0.13 1.06 -0.41 0.78 -1.51 0.00 0.00 179.97 180.02 3m8n h GLY 134 N 1.13 0.54 1.09 2.80 0.00 -1.24 -0.53 103.07 106.86 3m8n h GLY 134 Ca -0.05 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.60 3m8n h GLY 134 CO 0.14 0.49 -0.28 -1.82 0.00 0.00 0.00 176.54 175.07 3m8n h TYR 135 N 0.41 1.08 -0.08 5.60 -0.00 -1.34 -0.16 116.97 122.48 3m8n h TYR 135 Ca 0.03 -0.29 -0.11 0.00 -0.00 0.00 0.00 58.73 58.36 3m8n h TYR 135 Cb 0.90 -0.24 -0.01 0.00 -0.00 0.00 0.00 36.73 37.37 3m8n h TYR 135 CO 0.03 1.10 -0.46 0.00 -0.00 0.00 0.00 178.16 178.83 3m8n h ALA 136 N 0.80 1.08 -0.61 1.82 0.00 -1.33 -2.15 119.26 118.87 3m8n h ALA 136 Ca 0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3m8n h ALA 136 Cb 0.86 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3m8n h ALA 136 CO 0.08 0.62 0.26 0.00 0.00 0.00 0.00 179.25 180.20 3m8n h ALA 137 N 1.37 0.79 -0.78 0.00 0.00 -0.84 -2.17 119.26 117.63 3m8n h ALA 137 Ca 0.01 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.84 3m8n h ALA 137 Cb 0.88 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3m8n h ALA 137 CO 0.07 0.40 0.44 -0.07 0.00 0.00 0.00 179.25 180.08 3m8n h LEU 138 N 0.85 0.62 -0.74 0.00 3.38 -0.76 -2.47 115.31 116.19 3m8n h LEU 138 Ca 0.21 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3m8n h LEU 138 Cb 0.18 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3m8n h LEU 138 CO -0.02 0.37 0.29 -0.61 0.09 0.00 0.00 178.44 178.56 3m8n h GLN 139 N 0.75 1.11 -0.69 1.13 5.75 -1.12 -0.65 115.11 121.38 3m8n h GLN 139 Ca 0.37 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3m8n h GLN 139 Cb 0.32 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.69 3m8n h GLN 139 CO -0.24 0.91 0.00 0.28 -2.65 0.00 0.00 178.83 177.14 3m8n n VAL 140 N -4.33 0.02 0.00 2.39 0.31 -0.84 -0.83 118.33 115.05 3m8n n VAL 140 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3m8n n VAL 140 Cb 0.18 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 3m8n n VAL 140 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3m8n n GLU 142 N 0.64 0.00 -0.19 5.55 4.07 -0.25 -2.47 120.64 127.99 3m8n n GLU 142 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 3m8n n GLU 142 Cb 0.02 0.00 0.37 0.00 -0.06 0.00 0.00 31.44 31.77 3m8n n GLU 142 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3m8n h ASN 143 N 0.00 0.63 -0.12 4.31 2.35 -1.24 -2.35 115.58 119.15 3m8n h ASN 143 Ca 0.00 0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.54 3m8n h ASN 143 Cb 0.00 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.26 3m8n h ASN 143 CO 0.00 0.39 -0.77 -0.74 -1.65 0.00 0.00 177.43 174.66 3m8n h HIS 144 N 0.70 1.00 0.00 1.19 2.76 -1.74 -3.20 115.15 115.86 3m8n h HIS 144 Ca 0.33 -0.46 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 3m8n h HIS 144 Cb 0.38 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.19 3m8n h HIS 144 CO -0.00 1.29 0.00 1.28 -1.30 0.00 0.00 177.93 179.20 3m8n n LEU 145 N -3.98 0.17 0.22 0.26 4.77 -1.04 -2.35 117.00 115.05 3m8n n LEU 145 Ca -0.08 0.53 0.06 0.00 -0.03 0.00 0.00 56.01 56.49 3m8n n LEU 145 Cb 0.74 -0.50 0.53 0.00 -2.33 0.00 0.00 43.42 41.86 3m8n n LEU 145 CO 0.52 -0.23 0.95 0.11 -1.33 0.00 0.00 177.39 177.41 3m8n h LYS 146 N 0.00 0.02 0.00 3.23 1.57 -1.43 -3.20 116.57 116.76 3m8n h LYS 146 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m8n h LYS 146 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3m8n h LYS 146 CO 0.00 0.15 0.00 0.25 -0.57 0.00 0.00 179.45 179.28 3m8n n THR 147 N -4.38 0.54 -3.87 -0.16 -2.24 -0.99 -5.01 114.28 98.17 3m8n n THR 147 Ca -0.02 -0.68 -0.11 0.00 -2.27 0.00 0.00 64.05 60.96 3m8n n THR 147 Cb 0.20 0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 69.11 3m8n n THR 147 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3m8n s ASN 148 N -0.54 -0.01 0.11 3.42 0.01 -1.08 -5.03 114.94 111.82 3m8n s ASN 148 Ca 0.00 -0.05 0.17 0.00 -0.71 0.00 0.00 52.86 52.27 3m8n s ASN 148 Cb 0.00 0.20 -0.09 0.00 0.41 0.00 0.00 41.25 41.77 3m8n s ASN 148 CO 0.00 -0.21 0.96 0.44 -1.51 0.00 0.00 177.10 176.78 3m8n h ASP 149 N 5.12 0.00 -4.35 -1.22 5.19 -1.89 -3.39 116.42 115.89 3m8n h ASP 149 Ca -0.28 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 55.81 3m8n h ASP 149 Cb 1.20 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.54 3m8n h ASP 149 CO 0.42 0.53 -0.73 -0.31 -3.12 0.00 0.00 179.24 176.03 3m8n s TYR 150 N -2.96 1.08 0.08 4.55 2.02 -1.26 -4.86 117.35 116.00 3m8n s TYR 150 Ca -0.01 -0.67 -0.19 0.00 -0.37 0.00 0.00 57.07 55.83 3m8n s TYR 150 Cb 0.09 -0.59 -0.09 0.00 -0.40 0.00 0.00 41.96 40.97 3m8n s TYR 150 CO 0.80 0.00 1.53 0.74 -1.57 0.00 0.00 175.55 177.06 3m8n h PHE 151 N 3.48 0.42 -3.96 2.71 0.04 -1.92 -3.44 116.94 114.28 3m8n h PHE 151 Ca -0.37 -0.07 -0.42 0.00 2.80 0.00 0.00 57.97 59.91 3m8n h PHE 151 Cb 1.19 -0.11 -0.22 0.00 2.20 0.00 0.00 35.95 39.00 3m8n h PHE 151 CO 0.63 0.54 -0.78 0.00 -0.60 0.00 0.00 178.31 178.10 3m8n s ALA 152 N -5.08 1.19 -0.41 2.45 0.00 -1.26 -4.86 121.76 113.78 3m8n s ALA 152 Ca -0.14 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3m8n s ALA 152 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3m8n s ALA 152 CO 0.74 0.18 0.00 0.00 0.00 0.00 0.00 175.76 176.68 3m8n n ALA 153 N 1.40 -0.06 -1.67 0.00 0.00 -1.26 -2.96 120.51 115.95 3m8n n ALA 153 Ca -0.21 0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 3m8n n ALA 153 Cb 0.54 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 3m8n n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m8n n GLY 154 N -0.16 1.58 3.31 0.00 0.00 -1.26 -4.96 105.19 103.69 3m8n n GLY 154 Ca -0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3m8n n GLY 154 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3m8n s GLN 155 N -3.81 1.10 0.12 1.61 -2.07 -1.16 -4.91 119.66 110.54 3m8n s GLN 155 Ca 0.00 -1.12 -0.31 0.00 -1.82 0.00 0.00 55.36 52.11 3m8n s GLN 155 Cb 0.00 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 32.19 3m8n s GLN 155 CO 0.00 -0.39 1.78 -1.17 -1.32 0.00 0.00 175.29 174.18 3m8n s LEU 156 N -2.94 4.39 0.35 2.60 2.96 -1.26 -4.51 118.68 120.27 3m8n s LEU 156 Ca 0.14 2.71 0.04 0.00 -0.22 0.00 0.00 54.13 56.81 3m8n s LEU 156 Cb 0.04 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 3m8n s LEU 156 CO -0.02 -0.97 0.16 0.42 -1.32 0.00 0.00 176.35 174.62 3m8n s THR 157 N 2.50 0.42 0.61 3.68 -4.23 -1.26 -4.65 115.64 112.71 3m8n s THR 157 Ca 0.79 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.57 3m8n s THR 157 Cb -0.45 -2.45 0.35 0.00 1.34 0.00 0.00 72.50 71.29 3m8n s THR 157 CO 0.35 0.00 1.83 0.16 -0.54 0.00 0.00 174.62 176.42 3m8n h ILE 158 N 2.02 0.24 -0.43 2.99 3.07 -1.61 -2.53 117.51 121.25 3m8n h ILE 158 Ca -0.33 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.01 3m8n h ILE 158 Cb 1.26 0.56 -0.02 0.00 -0.27 0.00 0.00 36.82 38.35 3m8n h ILE 158 CO 0.52 0.00 -0.03 0.00 -1.05 0.00 0.00 178.15 177.59 3m8n h ALA 159 N 1.31 1.13 -0.16 0.16 0.00 -1.87 -1.15 119.26 118.68 3m8n h ALA 159 Ca 0.17 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3m8n h ALA 159 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3m8n h ALA 159 CO -0.00 0.55 -0.47 -0.44 0.00 0.00 0.00 179.25 178.89 3m8n h ASP 160 N 0.67 0.69 -0.67 0.00 3.32 -1.84 -2.74 116.42 115.85 3m8n h ASP 160 Ca 0.13 -0.59 0.02 0.00 0.02 0.00 0.00 57.03 56.60 3m8n h ASP 160 Cb 0.46 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3m8n h ASP 160 CO 0.02 1.16 0.43 0.40 -1.72 0.00 0.00 179.24 179.53 3m8n h ILE 161 N 0.25 1.13 -0.23 0.35 2.04 -1.50 0.20 117.51 119.76 3m8n h ILE 161 Ca -0.01 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.61 3m8n h ILE 161 Cb 1.09 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 3m8n h ILE 161 CO 0.10 0.16 -0.15 0.00 0.00 0.00 0.00 178.15 178.26 3m8n h ALA 162 N 1.27 0.02 -0.00 1.87 0.00 -1.22 -2.36 119.26 118.83 3m8n h ALA 162 Ca 0.26 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 3m8n h ALA 162 Cb -0.04 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3m8n h ALA 162 CO -0.08 -0.57 -0.59 -0.07 0.00 0.00 0.00 179.25 177.94 3m8n h LEU 163 N -0.14 0.01 -0.69 0.00 3.38 -1.35 -2.98 115.31 113.54 3m8n h LEU 163 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3m8n h LEU 163 Cb 0.33 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3m8n h LEU 163 CO -0.31 0.60 0.41 0.22 0.09 0.00 0.00 178.44 179.45 3m8n h TYR 164 N 0.01 0.92 -0.71 1.13 3.20 -0.07 -2.96 116.97 118.49 3m8n h TYR 164 Ca -0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.92 3m8n h TYR 164 Cb 1.05 -0.30 -0.09 0.00 1.54 0.00 0.00 36.73 38.93 3m8n h TYR 164 CO 0.00 0.63 -0.48 0.78 -1.64 0.00 0.00 178.16 177.44 3m8n h GLY 165 N 0.94 -1.17 1.14 1.82 0.00 -1.34 0.30 103.07 104.76 3m8n h GLY 165 Ca 0.25 0.83 -0.27 0.00 0.00 0.00 0.00 47.33 48.14 3m8n h GLY 165 CO -0.05 -0.16 -1.58 -0.97 0.00 0.00 0.00 176.54 173.79 3m8n h TYR 166 N -0.08 0.00 -0.52 5.60 0.05 -1.74 -3.08 116.97 117.19 3m8n h TYR 166 Ca 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 3m8n h TYR 166 Cb 0.38 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 3m8n h TYR 166 CO -0.94 0.97 0.22 1.15 -1.05 0.00 0.00 178.16 178.51 3m8n h THR 167 N 0.00 1.19 0.53 -2.88 2.02 -1.30 -2.01 112.91 110.47 3m8n h THR 167 Ca -0.24 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3m8n h THR 167 Cb 1.94 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3m8n h THR 167 CO 0.08 0.22 -0.29 -0.74 0.37 0.00 0.00 175.52 175.17 3m8n h HIS 168 N 0.74 -0.75 -0.76 3.16 -0.00 -0.48 -2.03 115.15 115.03 3m8n h HIS 168 Ca 0.18 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.71 3m8n h HIS 168 Cb 0.13 0.26 -0.11 0.00 -0.00 0.00 0.00 27.41 27.68 3m8n h HIS 168 CO 0.01 -0.45 0.19 -0.39 -0.00 0.00 0.00 177.93 177.29 3m8n h VAL 169 N -0.76 0.48 -1.00 5.26 -1.51 -1.42 0.56 116.25 117.87 3m8n h VAL 169 Ca -0.07 -0.09 0.01 0.00 -1.23 0.00 0.00 66.70 65.32 3m8n h VAL 169 Cb 0.60 0.19 -0.05 0.00 -2.13 0.00 0.00 31.29 29.91 3m8n h VAL 169 CO 0.10 0.05 0.66 0.00 -1.23 0.00 0.00 177.57 177.15 3m8n h ALA 170 N 1.64 1.28 -0.08 5.19 0.00 -1.30 0.01 119.26 126.00 3m8n h ALA 170 Ca 0.44 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3m8n h ALA 170 Cb 0.77 -0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3m8n h ALA 170 CO -0.53 0.67 -0.02 0.22 0.00 0.00 0.00 179.25 179.58 3m8n h ASP 171 N 1.36 0.16 -0.01 0.00 3.58 0.37 -1.80 116.42 120.07 3m8n h ASP 171 Ca 0.37 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3m8n h ASP 171 Cb -0.16 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 40.85 3m8n h ASP 171 CO -0.08 0.50 0.00 0.00 -2.88 0.00 0.00 179.24 176.78 3m8n n GLN 172 N -4.79 1.11 -2.65 0.28 1.13 0.16 -3.42 117.38 109.20 3m8n n GLN 172 Ca -0.07 -0.16 -0.16 0.00 -1.94 0.00 0.00 57.00 54.67 3m8n n GLN 172 Cb 0.24 -1.46 0.01 0.00 0.11 0.00 0.00 30.24 29.14 3m8n n GLN 172 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3m8n n ASP 174 N -0.18 0.00 -4.75 0.00 5.75 -1.22 -4.88 116.55 111.27 3m8n n ASP 174 Ca 0.21 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.58 3m8n n ASP 174 Cb 0.74 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 40.57 3m8n n ASP 174 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3m8n s PHE 175 N -3.17 3.18 -0.77 2.11 0.08 -0.70 -4.91 117.98 113.80 3m8n s PHE 175 Ca 0.00 1.33 -0.26 0.00 0.12 0.00 0.00 56.93 58.11 3m8n s PHE 175 Cb 0.00 -3.62 0.02 0.00 -0.57 0.00 0.00 43.02 38.85 3m8n s PHE 175 CO 0.00 -1.82 1.46 0.34 -0.10 0.00 0.00 175.22 175.10 3m8n s ASP 176 N -0.12 5.99 0.00 1.36 2.15 -1.26 -4.79 116.67 120.01 3m8n s ASP 176 Ca 0.53 -0.47 0.22 0.00 0.43 0.00 0.00 52.55 53.26 3m8n s ASP 176 Cb -0.38 -2.56 0.62 0.00 -0.30 0.00 0.00 42.92 40.31 3m8n s ASP 176 CO 0.45 -1.94 1.52 0.18 -0.17 0.00 0.00 175.17 175.21 3m8n n LEU 177 N 10.20 3.90 0.29 -1.34 4.32 -1.26 -4.53 117.00 128.58 3m8n n LEU 177 Ca 0.13 -1.96 0.16 0.00 -0.02 0.00 0.00 56.01 54.32 3m8n n LEU 177 Cb 0.50 -0.46 0.94 0.00 -1.62 0.00 0.00 43.42 42.77 3m8n n LEU 177 CO 0.70 0.96 1.14 0.77 -1.22 0.00 0.00 177.39 179.74 3m8n h SER 178 N 4.25 0.00 0.08 -1.43 4.64 -2.02 0.22 113.55 119.28 3m8n h SER 178 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m8n h SER 178 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3m8n h SER 178 CO 0.00 0.00 -0.02 0.35 -0.87 0.00 0.00 176.83 176.29 3m8n n THR 179 N -3.76 0.00 -3.15 2.95 -2.24 -1.26 -4.21 114.28 102.61 3m8n n THR 179 Ca -0.02 -0.08 -0.28 0.00 -2.27 0.00 0.00 64.05 61.40 3m8n n THR 179 Cb 0.11 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 3m8n n THR 179 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3m8n n PHE 180 N -0.67 3.81 -0.31 4.78 3.72 0.76 -4.93 117.46 124.63 3m8n n PHE 180 Ca 0.20 -4.00 -0.04 0.00 -0.05 0.00 0.00 57.45 53.57 3m8n n PHE 180 Cb 0.21 -0.56 0.08 0.00 -0.94 0.00 0.00 39.48 38.27 3m8n n PHE 180 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3m8n h PRO 181 N 3.60 1.16 -0.74 -1.08 0.13 -1.75 -1.46 132.00 131.87 3m8n h PRO 181 Ca 0.17 -0.12 0.04 0.00 -0.87 0.00 0.00 66.00 65.22 3m8n h PRO 181 Cb 0.57 -0.23 -0.05 0.00 0.13 0.00 0.00 31.00 31.41 3m8n h PRO 181 CO 0.85 0.84 0.45 0.00 -0.23 0.00 0.00 178.00 179.91 3m8n h ALA 182 N 1.26 0.98 -0.21 -0.56 0.00 -1.91 0.32 119.26 119.14 3m8n h ALA 182 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3m8n h ALA 182 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3m8n h ALA 182 CO -0.05 0.20 0.11 0.28 0.00 0.00 0.00 179.25 179.79 3m8n h VAL 183 N 0.86 1.12 -0.63 0.00 2.07 -1.74 -1.38 116.25 116.54 3m8n h VAL 183 Ca 0.31 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3m8n h VAL 183 Cb 0.09 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3m8n h VAL 183 CO -0.14 0.12 0.41 0.78 0.02 0.00 0.00 177.57 178.76 3m8n h ASN 184 N 0.23 0.71 -0.89 0.57 -0.26 -0.96 0.11 115.58 115.09 3m8n h ASN 184 Ca 0.07 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3m8n h ASN 184 Cb 0.08 -0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.13 3m8n h ASN 184 CO -0.01 0.51 0.56 0.00 -1.06 0.00 0.00 177.43 177.43 3m8n h ALA 185 N 1.24 1.30 -0.58 -0.83 0.00 -0.19 -2.64 119.26 117.56 3m8n h ALA 185 Ca 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3m8n h ALA 185 Cb -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 3m8n h ALA 185 CO -0.06 0.62 0.30 2.35 0.00 0.00 0.00 179.25 182.46 3m8n h TRP 186 N 1.23 0.81 -0.99 0.00 7.01 -0.85 -2.14 115.95 121.01 3m8n h TRP 186 Ca 0.32 -0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.37 3m8n h TRP 186 Cb -0.08 -0.26 -0.07 0.00 -2.10 0.00 0.00 29.16 26.65 3m8n h TRP 186 CO 0.00 0.60 0.64 -0.07 -2.79 0.00 0.00 178.44 176.83 3m8n h LEU 187 N 0.78 1.01 -0.56 0.65 3.38 -0.53 -1.75 115.31 118.30 3m8n h LEU 187 Ca 0.20 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3m8n h LEU 187 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3m8n h LEU 187 CO -0.03 0.63 0.16 0.03 0.09 0.00 0.00 178.44 179.32 3m8n h ARG 188 N 1.14 0.88 -0.65 1.13 2.47 -1.37 -2.40 114.38 115.57 3m8n h ARG 188 Ca 0.44 -0.20 0.09 0.00 -1.26 0.00 0.00 59.98 59.05 3m8n h ARG 188 Cb 0.21 -0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.34 3m8n h ARG 188 CO -0.18 0.81 0.30 0.00 0.56 0.00 0.00 179.97 181.45 3m8n h ARG 189 N 0.78 0.51 -0.52 0.04 3.08 -0.66 -1.38 114.38 116.23 3m8n h ARG 189 Ca 0.18 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3m8n h ARG 189 Cb 0.31 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3m8n h ARG 189 CO -0.00 0.33 0.24 0.28 -1.07 0.00 0.00 179.97 179.76 3m8n h VAL 190 N 0.52 1.20 0.00 2.04 2.07 -1.06 -2.94 116.25 118.08 3m8n h VAL 190 Ca 0.32 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3m8n h VAL 190 Cb 0.35 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3m8n h VAL 190 CO -0.27 0.23 -0.20 -0.33 0.02 0.00 0.00 177.57 177.01 3m8n h GLU 191 N 0.70 0.00 -0.00 1.57 5.08 -0.93 -2.25 114.58 118.74 3m8n h GLU 191 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3m8n h GLU 191 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3m8n h GLU 191 CO -0.02 0.20 -0.17 1.04 -1.00 0.00 0.00 179.01 179.06 3m8n n GLN 192 N -3.50 0.45 -2.12 2.33 6.02 -0.57 -4.72 117.38 115.27 3m8n n GLN 192 Ca -0.01 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.40 3m8n n GLN 192 Cb 0.36 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 3m8n n GLN 192 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3m8n s THR 193 N -2.66 3.13 0.22 5.09 2.01 -0.85 -4.95 115.64 117.63 3m8n s THR 193 Ca 0.23 0.83 -0.32 0.00 0.31 0.00 0.00 61.69 62.73 3m8n s THR 193 Cb 0.19 -3.53 -0.13 0.00 0.01 0.00 0.00 72.50 69.05 3m8n s THR 193 CO 0.53 0.07 1.56 -2.65 -0.69 0.00 0.00 174.62 173.44 3m8n n PRO 194 N 3.74 2.37 -0.07 4.92 -0.02 -1.26 -1.32 135.00 143.35 3m8n n PRO 194 Ca 0.11 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3m8n n PRO 194 Cb 0.41 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3m8n n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m8n n GLY 195 N 2.85 0.85 3.67 -1.23 0.00 -1.26 -4.77 105.19 105.30 3m8n n GLY 195 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3m8n n GLY 195 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3m8n n PHE 196 N -2.00 1.94 -4.58 1.61 7.35 -0.43 -4.13 117.46 117.21 3m8n n PHE 196 Ca 0.00 0.59 -0.23 0.00 -0.76 0.00 0.00 57.45 57.05 3m8n n PHE 196 Cb 0.00 -2.36 -0.14 0.00 0.35 0.00 0.00 39.48 37.33 3m8n n PHE 196 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3m8n s ILE 197 N -1.10 1.30 0.00 -2.13 -4.36 -1.26 -5.05 121.20 108.59 3m8n s ILE 197 Ca 0.57 -0.91 0.00 0.00 -0.26 0.00 0.00 60.65 60.05 3m8n s ILE 197 Cb -0.60 -1.12 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3m8n s ILE 197 CO 0.61 0.20 0.00 0.35 0.24 0.00 0.00 174.94 176.34 3m8n n THR 198 N 2.22 0.00 0.00 8.37 -2.24 -1.26 -4.90 114.28 116.47 3m8n n THR 198 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3m8n n THR 198 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3m8n n THR 198 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3m8n n ASP 200 N 0.00 0.00 -4.77 3.42 3.85 -1.26 -4.86 116.55 112.93 3m8n n ASP 200 Ca 0.00 0.00 -0.39 0.00 -0.71 0.00 0.00 54.79 53.69 3m8n n ASP 200 Cb 0.00 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 3m8n n ASP 200 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 3m8n s TRP 201 N 0.00 3.43 0.10 2.11 -0.00 -1.26 -5.06 118.94 118.26 3m8n s TRP 201 Ca 0.00 1.67 0.03 0.00 -0.00 0.00 0.00 56.10 57.80 3m8n s TRP 201 Cb 0.00 -3.25 -0.04 0.00 -0.00 0.00 0.00 33.47 30.19 3m8n s TRP 201 CO 0.00 -0.65 -0.08 0.95 -0.00 0.00 0.00 176.95 177.17 3m8n s THR 202 N -1.34 0.83 -1.06 5.86 -4.23 -1.26 -5.13 115.64 109.31 3m8n s THR 202 Ca 0.50 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 3m8n s THR 202 Cb -0.29 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.07 3m8n s THR 202 CO 0.37 -0.70 0.26 -2.65 -0.54 0.00 0.00 174.62 171.36