#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8n h LEU 1 N 0.00 0.58 -8.12 -3.43 3.38 -1.82 -3.48 115.31 102.42 3m8n h LEU 1 Ca 0.00 -0.58 -0.12 0.00 0.09 0.00 0.00 57.88 57.27 3m8n h LEU 1 Cb 0.00 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 40.41 3m8n h LEU 1 CO 0.00 1.43 -0.61 -0.31 0.09 0.00 0.00 178.44 179.04 3m8n s TYR 2 N -2.79 0.41 -0.19 1.13 2.02 -1.23 -4.97 117.35 111.72 3m8n s TYR 2 Ca -0.06 -0.91 -0.03 0.00 -0.37 0.00 0.00 57.07 55.70 3m8n s TYR 2 Cb 0.07 -0.30 -0.01 0.00 -0.40 0.00 0.00 41.96 41.32 3m8n s TYR 2 CO 0.90 -0.40 -0.06 0.21 -1.57 0.00 0.00 175.55 174.62 3m8n s LYS 3 N -3.68 3.41 -0.21 -0.62 2.20 -1.24 -0.88 119.74 118.71 3m8n s LYS 3 Ca 0.05 -0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 54.98 3m8n s LYS 3 Cb 0.06 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 3m8n s LYS 3 CO -0.09 -0.06 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.66 3m8n s LEU 4 N 1.10 3.15 -0.20 5.43 2.96 -0.37 -1.69 118.68 129.06 3m8n s LEU 4 Ca 0.01 -0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 53.45 3m8n s LEU 4 Cb -0.15 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3m8n s LEU 4 CO -0.01 0.03 0.64 -0.31 -1.32 0.00 0.00 176.35 175.38 3m8n s TYR 5 N 1.19 3.37 0.00 5.38 2.02 -0.46 -0.11 117.35 128.74 3m8n s TYR 5 Ca 0.03 0.94 0.00 0.00 -0.37 0.00 0.00 57.07 57.67 3m8n s TYR 5 Cb -0.15 -2.81 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 3m8n s TYR 5 CO 0.01 -0.19 0.00 0.45 -1.57 0.00 0.00 175.55 174.25 3m8n n SER 6 N 5.10 0.00 0.00 2.29 2.88 -0.04 -1.93 113.62 121.92 3m8n n SER 6 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 3m8n n SER 6 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.00 -0.19 -1.46 -0.06 -1.26 -1.40 117.38 113.01 3m8n n GLN 8 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.12 3m8n n GLN 8 Cb 0.00 -0.75 0.23 0.00 -4.06 0.00 0.00 30.24 25.66 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 -2.65 2.47 -2.65 3.69 1.74 -1.26 -4.77 116.66 113.23 3m8n n ARG 9 Ca 0.00 -2.23 -0.42 0.00 -0.77 0.00 0.00 57.85 54.43 3m8n n ARG 9 Cb 0.46 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.47 7.33 0.22 0.55 0.15 -1.26 -4.97 113.70 114.25 3m8n s SER 10 Ca 0.39 1.76 -0.03 0.00 0.70 0.00 0.00 55.95 58.77 3m8n s SER 10 Cb 0.23 -2.58 0.21 0.00 -1.71 0.00 0.00 66.02 62.17 3m8n s SER 10 CO 0.31 -0.27 1.62 1.23 1.20 0.00 0.00 173.24 177.33 3m8n h GLY 11 N 6.54 0.73 1.16 9.45 0.00 -1.90 -0.80 103.07 118.26 3m8n h GLY 11 Ca -0.42 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.21 3m8n h GLY 11 CO 0.76 0.61 0.31 3.43 0.00 0.00 0.00 176.54 181.64 3m8n h ASN 12 N 0.58 0.98 -0.24 0.19 2.35 -1.93 -2.30 115.58 115.22 3m8n h ASN 12 Ca 0.07 -0.13 -0.17 0.00 -0.55 0.00 0.00 56.30 55.51 3m8n h ASN 12 Cb 0.81 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3m8n h ASN 12 CO 0.07 0.86 -0.52 0.28 -1.65 0.00 0.00 177.43 176.47 3m8n h SER 13 N 1.06 0.87 -0.60 5.81 0.02 -1.80 -3.13 113.55 115.77 3m8n h SER 13 Ca 0.25 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3m8n h SER 13 Cb 0.17 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3m8n h SER 13 CO -0.02 1.26 0.31 0.22 -1.14 0.00 0.00 176.83 177.46 3m8n h TYR 14 N 0.52 0.87 -0.69 3.45 3.20 -1.00 -1.94 116.97 121.38 3m8n h TYR 14 Ca 0.00 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.00 3m8n h TYR 14 Cb 1.13 -0.28 -0.12 0.00 1.54 0.00 0.00 36.73 39.00 3m8n h TYR 14 CO 0.08 0.63 -0.07 0.87 -1.64 0.00 0.00 178.16 178.03 3m8n h LYS 15 N 0.88 0.06 -0.18 1.82 1.57 -1.36 -0.38 116.57 118.98 3m8n h LYS 15 Ca 0.22 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 3m8n h LYS 15 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3m8n h LYS 15 CO -0.03 0.04 -0.36 0.28 -0.57 0.00 0.00 179.45 178.81 3m8n h VAL 16 N 0.06 1.34 -0.86 0.50 2.07 -1.49 -1.82 116.25 116.06 3m8n h VAL 16 Ca 0.36 -1.60 0.09 0.00 0.82 0.00 0.00 66.70 66.36 3m8n h VAL 16 Cb 0.59 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 3m8n h VAL 16 CO -0.65 0.49 0.56 0.03 0.02 0.00 0.00 177.57 178.02 3m8n h ARG 17 N 0.22 0.83 -0.06 1.57 3.08 -1.11 -1.51 114.38 117.41 3m8n h ARG 17 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3m8n h ARG 17 Cb 0.96 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3m8n h ARG 17 CO 0.08 0.55 -0.00 1.25 -1.07 0.00 0.00 179.97 180.78 3m8n h LEU 18 N 0.86 0.10 -0.47 3.04 5.85 -0.84 -1.30 115.31 122.56 3m8n h LEU 18 Ca 0.39 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.87 3m8n h LEU 18 Cb 0.38 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3m8n h LEU 18 CO -0.16 0.40 0.12 0.00 -0.34 0.00 0.00 178.44 178.46 3m8n h ALA 19 N 0.71 0.53 -0.79 1.25 0.00 -1.17 0.12 119.26 119.91 3m8n h ALA 19 Ca 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m8n h ALA 19 Cb 0.34 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3m8n h ALA 19 CO 0.00 -0.28 0.48 -0.07 0.00 0.00 0.00 179.25 179.38 3m8n h LEU 20 N 0.27 0.94 -0.27 0.00 3.38 -1.13 -0.65 115.31 117.86 3m8n h LEU 20 Ca 0.23 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3m8n h LEU 20 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3m8n h LEU 20 CO -0.27 0.72 0.01 0.00 0.09 0.00 0.00 178.44 178.99 3m8n h ALA 21 N 1.44 0.36 -0.20 1.53 0.00 -0.67 0.18 119.26 121.89 3m8n h ALA 21 Ca 0.29 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3m8n h ALA 21 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3m8n h ALA 21 CO -0.05 0.08 -0.26 -0.07 0.00 0.00 0.00 179.25 178.95 3m8n h LEU 22 N 0.25 0.38 -0.00 0.00 3.38 -0.29 -1.39 115.31 117.64 3m8n h LEU 22 Ca 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3m8n h LEU 22 Cb 0.40 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3m8n h LEU 22 CO 0.01 0.64 -0.00 0.18 0.09 0.00 0.00 178.44 179.36 3m8n n LEU 23 N -4.13 0.01 -3.90 1.67 4.77 -0.29 -4.91 117.00 110.21 3m8n n LEU 23 Ca -0.01 0.33 -0.28 0.00 -0.03 0.00 0.00 56.01 56.03 3m8n n LEU 23 Cb 0.39 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3m8n n LEU 23 CO 0.41 0.00 0.01 -0.67 -1.33 0.00 0.00 177.39 175.82 3m8n n ASP 24 N -1.34 -3.26 -4.72 -1.43 2.03 -0.52 -4.93 116.55 102.37 3m8n n ASP 24 Ca 0.12 -0.84 -0.37 0.00 0.52 0.00 0.00 54.79 54.22 3m8n n ASP 24 Cb 0.27 -3.72 -0.06 0.00 -0.72 0.00 0.00 41.12 36.88 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 -3.46 3.53 0.07 -1.67 0.00 0.57 -5.02 121.76 115.78 3m8n s ALA 25 Ca 0.44 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 3m8n s ALA 25 Cb -0.22 -2.53 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 3m8n s ALA 25 CO 0.84 0.04 1.17 -1.25 0.00 0.00 0.00 175.76 176.57 3m8n s PRO 26 N 0.55 4.46 0.24 0.00 0.04 -1.26 -4.76 135.00 134.26 3m8n s PRO 26 Ca 0.21 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 3m8n s PRO 26 Cb -0.14 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 31.09 3m8n s PRO 26 CO 0.07 -0.20 0.64 1.52 0.04 0.00 0.00 177.00 179.07 3m8n s TYR 27 N 0.88 -0.21 -0.11 0.56 -0.85 -1.26 -2.23 117.35 114.13 3m8n s TYR 27 Ca 0.57 -0.18 0.03 0.00 -0.52 0.00 0.00 57.07 56.98 3m8n s TYR 27 Cb -0.29 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.64 3m8n s TYR 27 CO 0.30 -1.09 -0.22 0.50 -1.52 0.00 0.00 175.55 173.52 3m8n s ARG 28 N -3.89 2.94 -0.11 -3.49 3.52 -0.06 -4.48 118.95 113.38 3m8n s ARG 28 Ca 0.10 -0.84 -0.11 0.00 -0.13 0.00 0.00 55.73 54.75 3m8n s ARG 28 Cb -0.04 -2.29 -0.05 0.00 -1.56 0.00 0.00 34.95 31.02 3m8n s ARG 28 CO 0.01 0.10 0.23 0.00 -0.81 0.00 0.00 175.30 174.84 3m8n s ALA 29 N 0.54 3.74 -0.19 6.12 0.00 -1.26 -1.23 121.76 129.48 3m8n s ALA 29 Ca -0.14 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 3m8n s ALA 29 Cb -0.17 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.77 3m8n s ALA 29 CO 0.05 0.40 -0.14 0.08 0.00 0.00 0.00 175.76 176.15 3m8n s VAL 30 N -0.49 2.58 0.06 0.00 1.01 0.85 -4.94 120.40 119.46 3m8n s VAL 30 Ca 0.16 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3m8n s VAL 30 Cb -0.13 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3m8n s VAL 30 CO 0.05 0.49 1.00 -0.70 0.00 0.00 0.00 175.10 175.94 3m8n s GLU 31 N 1.34 4.60 -0.18 2.72 2.56 -1.26 -0.86 118.70 127.63 3m8n s GLU 31 Ca 0.05 1.47 -0.02 0.00 0.00 0.00 0.00 54.97 56.48 3m8n s GLU 31 Cb -0.14 -3.41 0.05 0.00 2.00 0.00 0.00 34.13 32.64 3m8n s GLU 31 CO -0.09 0.04 0.00 0.08 -0.56 0.00 0.00 175.26 174.73 3m8n s VAL 32 N 0.57 0.74 -0.65 3.70 1.01 -0.49 -4.87 120.40 120.41 3m8n s VAL 32 Ca 0.50 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 3m8n s VAL 32 Cb -0.23 -1.11 0.10 0.00 0.00 0.00 0.00 36.38 35.15 3m8n s VAL 32 CO 0.29 -0.07 0.81 -0.62 0.00 0.00 0.00 175.10 175.52 3m8n s ASP 33 N 1.77 6.25 0.32 3.32 2.15 -1.26 -4.78 116.67 124.44 3m8n s ASP 33 Ca -0.00 -1.44 0.10 0.00 0.43 0.00 0.00 52.55 51.63 3m8n s ASP 33 Cb -0.16 -2.34 0.92 0.00 -0.30 0.00 0.00 42.92 41.04 3m8n s ASP 33 CO -0.07 -1.17 1.69 0.40 -0.17 0.00 0.00 175.17 175.85 3m8n h ILE 34 N 5.88 0.43 0.00 4.11 1.08 -1.95 0.58 117.51 127.64 3m8n h ILE 34 Ca -0.23 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3m8n h ILE 34 Cb 1.07 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3m8n h ILE 34 CO 1.11 0.08 0.00 -0.07 -0.69 0.00 0.00 178.15 178.58 3m8n h LEU 35 N 0.43 0.00 -3.49 1.44 3.38 -2.01 -1.80 115.31 113.26 3m8n h LEU 35 Ca 0.65 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.56 3m8n h LEU 35 Cb 1.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 3m8n h LEU 35 CO -0.54 0.00 0.06 0.54 0.09 0.00 0.00 178.44 178.59 3m8n n ARG 36 N -2.76 3.77 -1.27 1.13 1.74 0.18 -4.94 116.66 114.51 3m8n n ARG 36 Ca 0.02 -3.04 -0.09 0.00 -0.77 0.00 0.00 57.85 53.97 3m8n n ARG 36 Cb 0.35 -2.09 -0.04 0.00 -1.02 0.00 0.00 32.46 29.66 3m8n n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m8n n GLY 37 N -0.06 1.07 0.22 -0.13 0.00 -0.68 -4.89 105.19 100.72 3m8n n GLY 37 Ca 0.29 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.08 0.00 -0.01 1.61 5.08 -1.70 -1.09 114.58 118.55 3m8n h GLU 38 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3m8n h GLU 38 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3m8n h GLU 38 CO 0.28 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.16 3m8n n SER 39 N -2.96 0.22 -0.48 1.42 3.41 -1.26 -4.13 113.62 109.84 3m8n n SER 39 Ca 0.03 -1.19 0.04 0.00 -0.26 0.00 0.00 58.87 57.49 3m8n n SER 39 Cb 0.44 -0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.77 2.35 -2.39 4.33 1.74 -0.41 -4.33 116.66 117.19 3m8n n ARG 40 Ca 0.21 -1.76 -0.33 0.00 -0.77 0.00 0.00 57.85 55.19 3m8n n ARG 40 Cb 0.13 -1.21 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 3m8n n ARG 40 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3m8n s THR 41 N -0.95 3.87 0.14 0.55 -4.23 -1.25 -4.82 115.64 108.96 3m8n s THR 41 Ca 0.17 1.06 -0.28 0.00 -1.18 0.00 0.00 61.69 61.46 3m8n s THR 41 Cb 0.09 -3.45 -0.06 0.00 1.34 0.00 0.00 72.50 70.42 3m8n s THR 41 CO 0.12 -0.36 1.45 -2.65 -0.54 0.00 0.00 174.62 172.64 3m8n n PRO 42 N -1.33 -0.40 -0.27 3.99 -0.02 -1.26 -0.75 135.00 134.96 3m8n n PRO 42 Ca 0.09 1.42 0.07 0.00 -2.02 0.00 0.00 63.50 63.06 3m8n n PRO 42 Cb 0.53 -2.09 0.21 0.00 -0.02 0.00 0.00 33.50 32.13 3m8n n PRO 42 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3m8n h ASP 43 N 0.00 0.13 -0.15 2.55 3.32 -1.98 -0.87 116.42 119.43 3m8n h ASP 43 Ca 0.14 0.14 -0.16 0.00 0.02 0.00 0.00 57.03 57.18 3m8n h ASP 43 Cb 0.37 0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.09 3m8n h ASP 43 CO -0.84 -0.00 -0.53 0.15 -1.72 0.00 0.00 179.24 176.29 3m8n h PHE 44 N 0.33 0.82 0.00 4.55 3.57 -1.75 -3.23 116.94 121.24 3m8n h PHE 44 Ca 0.45 -0.34 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3m8n h PHE 44 Cb 0.78 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 3m8n h PHE 44 CO -0.22 1.13 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.85 3m8n h LEU 45 N 0.28 0.00 -1.24 0.59 3.38 0.09 0.73 115.31 119.13 3m8n h LEU 45 Ca -0.03 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3m8n h LEU 45 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 3m8n h LEU 45 CO 0.11 0.07 0.54 0.00 0.09 0.00 0.00 178.44 179.25 3m8n h ALA 46 N 1.93 1.57 0.14 1.53 0.00 -1.21 -2.72 119.26 120.49 3m8n h ALA 46 Ca -0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 3m8n h ALA 46 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3m8n h ALA 46 CO 0.01 0.31 -1.96 0.87 0.00 0.00 0.00 179.25 178.48 3m8n h LYS 47 N 0.93 0.29 -3.96 0.00 1.57 -1.02 -3.43 116.57 110.94 3m8n h LYS 47 Ca 0.35 -0.49 -0.53 0.00 -1.87 0.00 0.00 60.65 58.11 3m8n h LYS 47 Cb 0.18 0.18 -0.38 0.00 0.08 0.00 0.00 32.23 32.28 3m8n h LYS 47 CO -0.12 1.23 -0.78 1.21 -0.57 0.00 0.00 179.45 180.42 3m8n s ASN 48 N -7.08 2.70 0.57 0.86 3.84 -0.77 -4.74 114.94 110.32 3m8n s ASN 48 Ca -0.21 -0.63 0.35 0.00 0.21 0.00 0.00 52.86 52.57 3m8n s ASN 48 Cb 0.06 -0.78 1.59 0.00 -0.55 0.00 0.00 41.25 41.57 3m8n s ASN 48 CO 0.78 -0.21 2.07 -0.65 -2.79 0.00 0.00 177.10 176.30 3m8n h PRO 49 N 8.17 0.00 -0.19 0.43 0.11 -1.75 -2.47 132.00 136.30 3m8n h PRO 49 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3m8n h PRO 49 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3m8n h PRO 49 CO 0.37 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.62 3m8n n SER 50 N -3.18 1.78 -0.75 -2.05 7.64 -1.26 -4.95 113.62 110.84 3m8n n SER 50 Ca -0.01 -1.75 -0.10 0.00 1.01 0.00 0.00 58.87 58.03 3m8n n SER 50 Cb 0.25 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.14 1.09 3.70 0.23 0.00 -0.93 -4.97 105.19 105.46 3m8n n GLY 51 Ca 0.16 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.87 4.52 -0.07 1.61 -0.21 -1.26 -4.81 119.66 116.56 3m8n s GLN 52 Ca 0.00 1.44 0.04 0.00 0.02 0.00 0.00 55.36 56.86 3m8n s GLN 52 Cb 0.00 -3.48 -0.00 0.00 1.00 0.00 0.00 33.01 30.53 3m8n s GLN 52 CO 0.00 -0.13 -0.22 0.08 -2.12 0.00 0.00 175.29 172.90 3m8n s VAL 53 N 1.27 1.83 0.63 1.09 1.01 -1.26 -4.33 120.40 120.64 3m8n s VAL 53 Ca 0.52 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 3m8n s VAL 53 Cb -0.21 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3m8n s VAL 53 CO 0.26 0.51 1.04 -2.16 0.00 0.00 0.00 175.10 174.74 3m8n s PRO 54 N 0.20 3.40 -0.03 2.72 0.04 -1.26 -4.74 135.00 135.32 3m8n s PRO 54 Ca -0.12 0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.83 3m8n s PRO 54 Cb -0.15 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.35 3m8n s PRO 54 CO 0.06 -0.73 -0.03 -1.17 0.04 0.00 0.00 177.00 175.16 3m8n s LEU 55 N -5.07 1.39 -0.32 -3.56 2.96 -0.81 -4.13 118.68 109.13 3m8n s LEU 55 Ca 0.58 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 54.32 3m8n s LEU 55 Cb -0.12 -0.34 0.02 0.00 0.50 0.00 0.00 46.19 46.25 3m8n s LEU 55 CO 0.49 -0.05 0.11 -0.22 -1.32 0.00 0.00 176.35 175.36 3m8n s LEU 56 N 0.78 4.16 -0.28 -0.68 2.96 -0.07 -1.35 118.68 124.18 3m8n s LEU 56 Ca -0.09 -0.92 -0.29 0.00 -0.22 0.00 0.00 54.13 52.61 3m8n s LEU 56 Cb -0.12 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3m8n s LEU 56 CO -0.00 -0.27 1.47 -1.61 -1.32 0.00 0.00 176.35 174.61 3m8n s GLU 57 N 1.47 3.80 0.00 1.98 2.02 -0.68 -0.50 118.70 126.78 3m8n s GLU 57 Ca 0.01 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.39 3m8n s GLU 57 Cb -0.18 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 30.07 3m8n s GLU 57 CO 0.03 -1.28 0.00 2.41 0.02 0.00 0.00 175.26 176.45 3m8n n THR 58 N 6.44 0.00 -0.66 3.63 -1.04 -0.15 -3.68 114.28 118.83 3m8n n THR 58 Ca 0.17 0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.91 3m8n n THR 58 Cb 0.46 -0.16 0.21 0.00 -1.82 0.00 0.00 70.33 69.02 3m8n n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m8n s ALA 59 N -3.73 0.40 0.14 2.41 0.00 -1.26 -4.93 121.76 114.79 3m8n s ALA 59 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 3m8n s ALA 59 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 3m8n s ALA 59 CO 0.00 -3.33 1.32 -2.14 0.00 0.00 0.00 175.76 171.61 3m8n s PRO 60 N -4.57 4.37 -1.75 0.00 0.02 -1.26 -2.58 135.00 129.22 3m8n s PRO 60 Ca 0.67 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.70 3m8n s PRO 60 Cb -0.24 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.04 3m8n s PRO 60 CO 0.62 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 177.37 3m8n n GLY 61 N 2.96 0.40 2.95 0.52 0.00 -1.26 -5.01 105.19 105.75 3m8n n GLY 61 Ca 0.09 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.46 1.82 -0.12 1.61 3.52 -1.07 -5.09 118.95 115.17 3m8n s ARG 62 Ca 0.00 -0.50 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 3m8n s ARG 62 Cb 0.00 -1.97 -0.01 0.00 -1.56 0.00 0.00 34.95 31.41 3m8n s ARG 62 CO 0.00 -0.32 -0.18 0.71 -0.81 0.00 0.00 175.30 174.70 3m8n s TYR 63 N 1.58 2.70 -0.17 5.12 2.02 -1.26 -0.98 117.35 126.36 3m8n s TYR 63 Ca 0.03 -0.82 -0.07 0.00 -0.37 0.00 0.00 57.07 55.84 3m8n s TYR 63 Cb -0.14 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 3m8n s TYR 63 CO -0.09 -0.30 0.06 -1.17 -1.57 0.00 0.00 175.55 172.48 3m8n s LEU 64 N 0.33 3.83 0.47 -1.29 2.96 0.34 -4.91 118.68 120.41 3m8n s LEU 64 Ca -0.14 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 3m8n s LEU 64 Cb -0.17 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3m8n s LEU 64 CO 0.07 0.21 0.34 0.00 -1.32 0.00 0.00 176.35 175.65 3m8n s ALA 65 N 0.18 4.09 -0.01 5.97 0.00 -1.26 -0.90 121.76 129.84 3m8n s ALA 65 Ca 0.04 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 3m8n s ALA 65 Cb -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3m8n s ALA 65 CO 0.00 -0.30 0.01 0.39 0.00 0.00 0.00 175.76 175.87 3m8n n GLU 66 N -1.56 -0.54 -0.27 0.00 -0.58 -1.26 -4.36 120.64 112.07 3m8n n GLU 66 Ca 0.01 0.84 0.24 0.00 -0.42 0.00 0.00 57.16 57.83 3m8n n GLU 66 Cb 0.63 -1.14 0.57 0.00 -0.57 0.00 0.00 31.44 30.93 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 0.46 0.30 1.02 1.62 4.64 -1.85 -0.07 113.55 119.67 3m8n h SER 67 Ca -0.02 0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 3m8n h SER 67 Cb 0.05 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 3m8n h SER 67 CO 0.00 0.09 -1.02 0.78 -0.87 0.00 0.00 176.83 175.81 3m8n h ASN 68 N 0.29 0.00 -0.32 4.97 4.21 -1.92 -1.92 115.58 120.89 3m8n h ASN 68 Ca 0.51 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.86 3m8n h ASN 68 Cb 1.49 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.69 3m8n h ASN 68 CO -0.17 0.83 -0.45 0.00 -1.29 0.00 0.00 177.43 176.36 3m8n h ALA 69 N 1.17 0.56 -0.49 -0.83 0.00 -1.42 -2.70 119.26 115.54 3m8n h ALA 69 Ca -0.06 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.41 3m8n h ALA 69 Cb 1.69 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 3m8n h ALA 69 CO 0.10 0.68 0.24 0.82 0.00 0.00 0.00 179.25 181.09 3m8n h ILE 70 N 0.71 0.95 -0.14 0.00 2.04 -1.01 -1.93 117.51 118.14 3m8n h ILE 70 Ca 0.04 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3m8n h ILE 70 Cb 1.04 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3m8n h ILE 70 CO 0.10 0.09 0.08 -0.07 0.00 0.00 0.00 178.15 178.35 3m8n h LEU 71 N 0.48 0.16 -0.51 1.44 3.38 -1.32 -1.48 115.31 117.45 3m8n h LEU 71 Ca 0.21 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3m8n h LEU 71 Cb 0.13 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3m8n h LEU 71 CO -0.15 0.15 0.23 -0.25 0.09 0.00 0.00 178.44 178.51 3m8n h TRP 72 N 0.16 0.42 -0.64 1.13 7.01 -1.34 -2.49 115.95 120.20 3m8n h TRP 72 Ca 0.05 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.11 3m8n h TRP 72 Cb 0.01 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 26.91 3m8n h TRP 72 CO -0.06 0.18 0.38 -0.92 -2.79 0.00 0.00 178.44 175.23 3m8n h TYR 73 N 0.45 0.70 0.00 2.65 3.20 -0.80 -2.45 116.97 120.72 3m8n h TYR 73 Ca 0.24 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 3m8n h TYR 73 Cb 0.19 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3m8n h TYR 73 CO -0.12 0.37 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.40 3m8n h LEU 74 N 0.72 0.00 0.00 2.82 3.38 -0.95 -3.30 115.31 117.99 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 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3m8n h LEU 74 CO -0.14 0.30 -0.86 0.00 0.09 0.00 0.00 178.44 177.83 3m8n n ALA 75 N -2.25 4.18 -1.75 1.53 0.00 -0.95 -4.85 120.51 116.42 3m8n n ALA 75 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 3m8n n ALA 75 Cb 0.49 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.56 1.30 -1.15 0.00 0.31 -1.07 -1.84 118.33 114.32 3m8n n VAL 76 Ca 0.04 -0.33 -0.05 0.00 -0.01 0.00 0.00 64.34 63.99 3m8n n VAL 76 Cb 0.35 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 31.28 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 1.67 0.74 3.61 2.92 0.00 -1.26 -4.99 105.19 107.88 3m8n n GLY 77 Ca 0.06 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.02 1.73 -0.15 2.61 -4.23 -0.77 -5.03 115.64 107.79 3m8n s THR 78 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 3m8n s THR 78 Cb 0.00 -2.84 0.32 0.00 1.34 0.00 0.00 72.50 71.32 3m8n s THR 78 CO 0.00 0.00 1.87 0.77 -0.54 0.00 0.00 174.62 176.72 3m8n h SER 79 N 1.76 0.00 0.45 3.99 4.64 -1.94 -2.70 113.55 119.75 3m8n h SER 79 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3m8n h SER 79 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3m8n h SER 79 CO 0.78 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.92 3m8n n LEU 80 N -2.66 0.00 -4.63 5.97 4.77 -1.26 -4.76 117.00 114.42 3m8n n LEU 80 Ca 0.01 0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 55.90 3m8n n LEU 80 Cb 0.25 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 3m8n n LEU 80 CO 0.23 -0.04 -0.21 0.00 -1.33 0.00 0.00 177.39 176.03 3m8n s ALA 81 N -2.53 3.49 1.10 -1.18 0.00 -1.02 -2.48 121.76 119.14 3m8n s ALA 81 Ca 0.26 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 3m8n s ALA 81 Cb 0.17 -2.13 0.21 0.00 0.00 0.00 0.00 23.12 21.37 3m8n s ALA 81 CO 0.39 -0.05 0.96 -0.35 0.00 0.00 0.00 175.76 176.70 3m8n n PRO 82 N 4.00 -1.86 -0.13 0.00 -0.04 -1.26 -4.80 135.00 130.91 3m8n n PRO 82 Ca -0.16 -1.50 -0.25 0.00 -0.04 0.00 0.00 63.50 61.55 3m8n n PRO 82 Cb 0.52 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.68 3m8n n PRO 82 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3m8n n ASP 83 N -4.08 1.97 -4.87 3.54 8.00 -1.26 -4.73 116.55 115.12 3m8n n ASP 83 Ca 0.13 0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.50 3m8n n ASP 83 Cb 0.46 -0.70 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 3m8n n ASP 83 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3m8n s THR 84 N -2.51 4.70 -0.65 -3.53 -4.23 -1.26 -4.92 115.64 103.24 3m8n s THR 84 Ca -0.36 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3m8n s THR 84 Cb 0.12 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.18 3m8n s THR 84 CO 0.54 -0.77 0.00 -1.14 -0.54 0.00 0.00 174.62 172.72 3m8n n ARG 85 N -1.85 0.00 0.00 3.99 0.63 -1.26 -1.83 116.66 116.33 3m8n n ARG 85 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 3m8n n ARG 85 Cb 0.54 -0.96 0.00 0.00 0.45 0.00 0.00 32.46 32.49 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 0.47 0.00 -0.29 6.15 9.92 -1.26 -2.12 116.55 129.43 3m8n n ASP 87 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 3m8n n ASP 87 Cb 0.00 0.00 0.18 0.00 -0.64 0.00 0.00 41.12 40.66 3m8n n ASP 87 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3m8n h ARG 88 N 0.00 0.69 -0.15 -1.24 3.08 -1.65 -2.19 114.38 112.92 3m8n h ARG 88 Ca 0.00 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 3m8n h ARG 88 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3m8n h ARG 88 CO 0.00 0.46 -0.49 0.00 -1.07 0.00 0.00 179.97 178.87 3m8n h ALA 89 N 1.48 0.88 -0.45 0.04 0.00 -1.69 -2.52 119.26 117.00 3m8n h ALA 89 Ca 0.41 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3m8n h ALA 89 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3m8n h ALA 89 CO -0.29 0.66 -0.11 0.93 0.00 0.00 0.00 179.25 180.45 3m8n h GLU 90 N 0.31 0.83 -0.61 0.00 5.08 -1.82 0.26 114.58 118.63 3m8n h GLU 90 Ca 0.02 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3m8n h GLU 90 Cb 0.98 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 3m8n h GLU 90 CO 0.08 0.90 0.35 0.00 -1.00 0.00 0.00 179.01 179.34 3m8n h ALA 91 N 1.13 0.79 -0.48 3.43 0.00 -1.18 -1.96 119.26 121.00 3m8n h ALA 91 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3m8n h ALA 91 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3m8n h ALA 91 CO 0.04 0.05 -0.21 -0.07 0.00 0.00 0.00 179.25 179.06 3m8n h LEU 92 N 0.67 1.01 -0.31 0.00 3.38 -1.13 -3.04 115.31 115.89 3m8n h LEU 92 Ca 0.26 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.92 3m8n h LEU 92 Cb 0.10 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.49 3m8n h LEU 92 CO -0.14 1.18 -0.27 -0.61 0.09 0.00 0.00 178.44 178.69 3m8n h GLN 93 N 0.86 -0.24 -1.75 1.13 4.15 -0.21 0.31 115.11 119.35 3m8n h GLN 93 Ca 0.11 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3m8n h GLN 93 Cb 0.79 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.53 3m8n h GLN 93 CO 0.07 -0.16 0.00 0.91 -1.93 0.00 0.00 178.83 177.72 3m8n n TRP 94 N -5.40 0.00 0.00 3.99 7.02 -0.76 -0.95 117.44 121.34 3m8n n TRP 94 Ca 0.00 -0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.28 3m8n n TRP 94 Cb 0.31 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 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 1.08 0.00 -0.15 -5.99 3.72 0.11 -0.91 117.46 115.31 3m8n n PHE 96 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 3m8n n PHE 96 Cb 0.16 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.59 -0.99 1.38 3.57 -1.28 -2.08 116.94 118.14 3m8n h PHE 97 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3m8n h PHE 97 Cb 0.00 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 3m8n h PHE 97 CO 0.00 0.40 0.65 1.49 -2.23 0.00 0.00 178.31 178.62 3m8n h GLU 98 N 0.61 1.24 -0.55 1.11 4.22 -1.29 -1.57 114.58 118.35 3m8n h GLU 98 Ca 0.17 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 3m8n h GLU 98 Cb -0.03 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.92 3m8n h GLU 98 CO -0.03 0.82 0.29 0.37 -2.18 0.00 0.00 179.01 178.28 3m8n h GLN 99 N 1.28 0.78 0.00 1.92 5.75 -1.66 -1.98 115.11 121.19 3m8n h GLN 99 Ca 0.39 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.76 3m8n h GLN 99 Cb -0.03 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.37 3m8n h GLN 99 CO -0.11 0.61 -1.42 -2.39 -2.65 0.00 0.00 178.83 172.87 3m8n n HIS 100 N -4.60 0.62 -0.09 3.99 1.44 -1.03 -4.32 115.22 111.23 3m8n n HIS 100 Ca 0.03 0.18 -0.12 0.00 -2.01 0.00 0.00 57.72 55.80 3m8n n HIS 100 Cb 0.10 -0.82 -0.10 0.00 0.12 0.00 0.00 29.99 29.29 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 -2.24 1.58 -0.10 1.59 0.00 -0.60 -4.59 120.51 116.14 3m8n n ALA 101 Ca -0.03 -0.93 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 3m8n n ALA 101 Cb 0.60 -0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.94 1.87 -0.07 0.00 4.32 -0.79 -4.28 117.00 115.12 3m8n n LEU 102 Ca -0.33 0.46 -0.10 0.00 -0.02 0.00 0.00 56.01 56.02 3m8n n LEU 102 Cb 0.93 -0.89 -0.04 0.00 -1.62 0.00 0.00 43.42 41.79 3m8n n LEU 102 CO 0.25 0.07 0.60 -0.08 -1.22 0.00 0.00 177.39 177.00 3m8n h GLU 103 N -1.00 -0.36 0.00 3.23 4.57 -1.65 0.53 114.58 119.90 3m8n h GLU 103 Ca -0.28 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3m8n h GLU 103 Cb 1.11 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3m8n h GLU 103 CO -0.17 -0.24 0.00 -2.30 -1.18 0.00 0.00 179.01 175.12 3m8n n PRO 104 N -5.42 0.08 0.05 0.92 -0.02 -1.26 -1.95 135.00 127.40 3m8n n PRO 104 Ca -0.02 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3m8n n PRO 104 Cb 0.35 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3m8n n PRO 104 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3m8n n ASN 105 N -1.81 0.77 0.04 2.55 5.03 -0.96 -4.31 115.26 116.56 3m8n n ASN 105 Ca 0.02 0.14 -0.09 0.00 0.87 0.00 0.00 54.58 55.52 3m8n n ASN 105 Cb 0.15 -0.20 0.05 0.00 -1.02 0.00 0.00 39.78 38.76 3m8n n ASN 105 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 3m8n h ILE 106 N 0.00 1.35 -0.41 2.41 2.04 -0.25 -1.74 117.51 120.92 3m8n h ILE 106 Ca 0.00 -1.97 -0.07 0.00 1.00 0.00 0.00 64.86 63.82 3m8n h ILE 106 Cb 0.00 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3m8n h ILE 106 CO 0.00 0.60 -0.03 1.23 0.00 0.00 0.00 178.15 179.95 3m8n h GLY 107 N 1.19 0.80 0.95 5.37 0.00 -0.18 -0.53 103.07 110.68 3m8n h GLY 107 Ca -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 3m8n h GLY 107 CO 0.11 0.56 0.12 1.76 0.00 0.00 0.00 176.54 179.10 3m8n h SER 108 N 0.57 0.64 -0.31 0.19 0.02 -1.45 0.25 113.55 113.45 3m8n h SER 108 Ca 0.11 -0.22 0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3m8n h SER 108 Cb 0.53 -0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.82 3m8n h SER 108 CO 0.03 0.68 -0.28 0.00 -1.14 0.00 0.00 176.83 176.12 3m8n h ALA 109 N 0.98 -0.16 -0.52 3.77 0.00 -1.27 0.78 119.26 122.83 3m8n h ALA 109 Ca 0.14 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3m8n h ALA 109 Cb 0.28 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3m8n h ALA 109 CO -0.00 -0.70 0.23 -0.92 0.00 0.00 0.00 179.25 177.86 3m8n h TYR 110 N -0.26 0.42 0.02 0.00 3.20 -0.97 0.26 116.97 119.65 3m8n h TYR 110 Ca 0.15 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 3m8n h TYR 110 Cb 0.50 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3m8n h TYR 110 CO -0.46 0.18 -0.01 0.35 -1.64 0.00 0.00 178.16 176.57 3m8n h PHE 111 N 0.45 -0.03 0.07 -3.82 3.57 -0.29 -1.36 116.94 115.53 3m8n h PHE 111 Ca 0.24 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.56 3m8n h PHE 111 Cb 0.20 0.01 0.02 0.00 2.79 0.00 0.00 35.95 38.97 3m8n h PHE 111 CO -0.13 0.27 -0.76 -1.49 -2.23 0.00 0.00 178.31 173.97 3m8n h TRP 112 N -0.33 0.63 0.00 0.41 4.06 -0.78 -0.09 115.95 119.85 3m8n h TRP 112 Ca -0.00 -0.39 -0.13 0.00 2.06 0.00 0.00 58.89 60.43 3m8n h TRP 112 Cb 0.31 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 3m8n h TRP 112 CO 0.03 1.25 -0.76 -0.07 -3.56 0.00 0.00 178.44 175.33 3m8n h LEU 113 N -0.17 0.00 0.00 -4.49 3.38 -0.60 -3.29 115.31 110.14 3m8n h LEU 113 Ca -0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3m8n h LEU 113 Cb 1.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 3m8n h LEU 113 CO 0.15 0.57 -1.41 0.00 0.09 0.00 0.00 178.44 177.83 3m8n n LEU 115 N -2.24 2.65 -4.66 0.00 7.94 -0.35 -4.91 117.00 115.43 3m8n n LEU 115 Ca -0.10 -0.01 -0.43 0.00 -1.11 0.00 0.00 56.01 54.37 3m8n n LEU 115 Cb 0.69 -0.79 -0.02 0.00 0.53 0.00 0.00 43.42 43.82 3m8n n LEU 115 CO 0.13 0.79 0.85 -0.69 -1.11 0.00 0.00 177.39 177.35 3m8n s VAL 116 N -2.46 4.73 0.19 1.96 1.01 -0.19 -4.99 120.40 120.65 3m8n s VAL 116 Ca -0.32 1.96 -0.32 0.00 0.00 0.00 0.00 61.98 63.29 3m8n s VAL 116 Cb 0.10 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 3m8n s VAL 116 CO 0.51 -0.12 1.71 -0.75 0.00 0.00 0.00 175.10 176.45 3m8n s LYS 117 N 2.88 4.14 -1.50 2.72 2.20 -1.26 -1.44 119.74 127.48 3m8n s LYS 117 Ca 0.43 2.57 -0.13 0.00 -0.36 0.00 0.00 55.97 58.48 3m8n s LYS 117 Cb -0.16 -3.14 0.09 0.00 -1.51 0.00 0.00 37.83 33.11 3m8n s LYS 117 CO 0.09 -0.74 0.81 0.41 -0.36 0.00 0.00 175.35 175.56 3m8n n GLY 118 N 3.97 -0.49 0.10 5.54 0.00 -1.26 -4.92 105.19 108.13 3m8n n GLY 118 Ca 0.16 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.45 3m8n n GLY 118 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3m8n h GLY 119 N -1.68 0.00 0.92 -0.02 0.00 -1.34 -3.35 103.07 97.60 3m8n h GLY 119 Ca -0.54 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.81 3m8n h GLY 119 CO 0.65 0.00 0.40 -0.09 0.00 0.00 0.00 176.54 177.50 3m8n h ARG 120 N 0.00 0.78 0.00 4.80 2.43 -1.83 -2.64 114.38 117.92 3m8n h ARG 120 Ca 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3m8n h ARG 120 Cb 0.83 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3m8n h ARG 120 CO 0.00 0.52 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.34 3m8n h ASP 121 N 0.81 0.00 1.27 -3.80 3.32 -1.95 -2.01 116.42 114.07 3m8n h ASP 121 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3m8n h ASP 121 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3m8n h ASP 121 CO -0.08 0.19 0.00 -0.07 -1.72 0.00 0.00 179.24 177.56 3m8n h LEU 122 N 0.00 0.00 -3.59 1.55 3.38 -1.62 -3.36 115.31 111.67 3m8n h LEU 122 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3m8n h LEU 122 Cb 0.50 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.96 3m8n h LEU 122 CO 0.03 0.00 -0.87 0.00 0.09 0.00 0.00 178.44 177.68 3m8n n GLN 123 N -2.57 1.32 0.24 1.13 1.13 -0.76 -4.85 117.38 113.01 3m8n n GLN 123 Ca 0.03 -2.99 0.07 0.00 -1.94 0.00 0.00 57.00 52.18 3m8n n GLN 123 Cb 0.37 -1.11 0.58 0.00 0.11 0.00 0.00 30.24 30.19 3m8n n GLN 123 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3m8n h THR 124 N 4.34 1.05 0.00 5.09 1.35 -1.69 0.46 112.91 123.50 3m8n h THR 124 Ca -0.06 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 3m8n h THR 124 Cb 1.47 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3m8n h THR 124 CO 0.19 0.06 -0.08 0.45 -0.25 0.00 0.00 175.52 175.89 3m8n h HIS 125 N 0.03 0.00 0.03 4.73 3.86 -1.91 -3.32 115.15 118.56 3m8n h HIS 125 Ca 0.01 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 3m8n h HIS 125 Cb 0.10 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 3m8n h HIS 125 CO 0.00 0.08 -1.98 0.00 0.86 0.00 0.00 177.93 176.89 3m8n n ALA 126 N -2.13 1.36 -0.39 2.45 0.00 0.11 -4.56 120.51 117.36 3m8n n ALA 126 Ca 0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 53.44 52.56 3m8n n ALA 126 Cb 0.43 -0.61 0.03 0.00 0.00 0.00 0.00 19.45 19.30 3m8n n ALA 126 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3m8n n LEU 127 N -3.09 -0.68 0.18 0.00 7.94 -0.97 -2.16 117.00 118.20 3m8n n LEU 127 Ca -0.26 1.74 0.13 0.00 -1.11 0.00 0.00 56.01 56.52 3m8n n LEU 127 Cb 1.07 -0.38 0.41 0.00 0.53 0.00 0.00 43.42 45.04 3m8n n LEU 127 CO 0.43 -1.55 0.88 -0.08 -1.11 0.00 0.00 177.39 175.95 3m8n h GLU 128 N 0.00 0.00 -0.16 1.96 4.22 -1.81 -0.69 114.58 118.10 3m8n h GLU 128 Ca 0.33 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.67 3m8n h GLU 128 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3m8n h GLU 128 CO -0.98 0.00 -0.27 -0.44 -2.18 0.00 0.00 179.01 175.13 3m8n h ASP 129 N 0.00 0.51 -0.26 1.04 3.32 -1.73 0.33 116.42 119.62 3m8n h ASP 129 Ca 0.00 -0.54 0.04 0.00 0.02 0.00 0.00 57.03 56.55 3m8n h ASP 129 Cb 0.70 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3m8n h ASP 129 CO 0.00 0.95 0.03 -0.50 -1.72 0.00 0.00 179.24 178.00 3m8n h TRP 130 N 0.09 0.04 0.33 4.55 6.55 -0.94 0.92 115.95 127.50 3m8n h TRP 130 Ca 0.01 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 3m8n h TRP 130 Cb 0.86 0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.18 3m8n h TRP 130 CO 0.10 -0.01 -0.16 -0.07 -1.05 0.00 0.00 178.44 177.25 3m8n h LEU 131 N 0.12 -0.38 -0.61 -4.49 3.38 -1.24 0.29 115.31 112.39 3m8n h LEU 131 Ca 0.12 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3m8n h LEU 131 Cb 0.14 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3m8n h LEU 131 CO -0.18 -0.14 0.22 -0.08 0.09 0.00 0.00 178.44 178.35 3m8n h GLU 132 N -0.60 0.39 0.09 1.13 4.57 0.17 -0.96 114.58 119.36 3m8n h GLU 132 Ca -0.05 -0.02 -0.28 0.00 -1.18 0.00 0.00 59.36 57.83 3m8n h GLU 132 Cb 0.44 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 3m8n h GLU 132 CO 0.07 0.26 -1.41 0.00 -1.18 0.00 0.00 179.01 176.75 3m8n h ARG 133 N 0.40 0.20 -0.54 1.92 2.47 0.10 -2.76 114.38 116.16 3m8n h ARG 133 Ca 0.31 -0.34 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3m8n h ARG 133 Cb 0.39 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 3m8n h ARG 133 CO -0.31 1.07 0.23 0.78 0.56 0.00 0.00 179.97 182.29 3m8n h GLY 134 N 2.00 0.83 1.72 0.04 0.00 -0.30 -2.28 103.07 105.08 3m8n h GLY 134 Ca -0.19 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.53 3m8n h GLY 134 CO 0.16 0.39 -0.90 -0.97 0.00 0.00 0.00 176.54 175.21 3m8n h TYR 135 N 0.77 0.37 -0.37 5.60 0.05 -1.15 -1.26 116.97 120.98 3m8n h TYR 135 Ca 0.19 -0.21 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 3m8n h TYR 135 Cb 0.13 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 3m8n h TYR 135 CO 0.01 1.02 -0.02 0.00 -1.05 0.00 0.00 178.16 178.13 3m8n h ALA 136 N 0.91 1.28 0.07 3.88 0.00 -1.33 -1.82 119.26 122.25 3m8n h ALA 136 Ca -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3m8n h ALA 136 Cb 1.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3m8n h ALA 136 CO 0.14 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 3m8n h ALA 137 N 1.43 -0.09 -0.40 0.00 0.00 -1.17 -2.30 119.26 116.72 3m8n h ALA 137 Ca 0.12 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.94 3m8n h ALA 137 Cb 0.38 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3m8n h ALA 137 CO 0.02 -0.35 0.35 -0.07 0.00 0.00 0.00 179.25 179.19 3m8n h LEU 138 N -0.49 0.00 0.10 0.00 3.38 -1.18 -0.66 115.31 116.45 3m8n h LEU 138 Ca -0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 3m8n h LEU 138 Cb 0.42 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.20 3m8n h LEU 138 CO 0.02 0.00 -1.24 -0.61 0.09 0.00 0.00 178.44 176.70 3m8n h GLN 139 N 0.00 0.55 -0.47 1.13 5.75 -1.19 0.20 115.11 121.07 3m8n h GLN 139 Ca 0.19 -0.76 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 3m8n h GLN 139 Cb 0.89 0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.69 3m8n h GLN 139 CO -0.00 1.34 0.00 0.28 -2.65 0.00 0.00 178.83 177.80 3m8n n VAL 140 N -3.75 0.00 0.00 2.39 0.31 -0.26 -0.69 118.33 116.34 3m8n n VAL 140 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3m8n n VAL 140 Cb 0.99 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 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 0.60 0.00 -0.02 5.55 4.07 0.69 -2.57 120.64 128.96 3m8n n GLU 142 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 3m8n n GLU 142 Cb 0.00 0.00 0.50 0.00 -0.06 0.00 0.00 31.44 31.88 3m8n n GLU 142 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 3m8n h ASN 143 N 0.00 0.35 0.23 4.31 -0.73 -1.16 -2.35 115.58 116.24 3m8n h ASN 143 Ca 0.00 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.89 3m8n h ASN 143 Cb 0.00 -0.08 0.02 0.00 0.27 0.00 0.00 38.32 38.53 3m8n h ASN 143 CO 0.00 0.23 -1.17 -0.74 -0.37 0.00 0.00 177.43 175.38 3m8n h HIS 144 N 0.40 0.87 0.00 0.67 2.76 -1.75 -3.13 115.15 114.97 3m8n h HIS 144 Ca 0.21 -0.53 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 3m8n h HIS 144 Cb 0.32 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.20 3m8n h HIS 144 CO -0.00 1.38 0.00 1.28 -1.30 0.00 0.00 177.93 179.29 3m8n n LEU 145 N -3.75 0.00 0.01 0.26 4.77 -0.92 -2.65 117.00 114.71 3m8n n LEU 145 Ca -0.11 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.75 3m8n n LEU 145 Cb 0.95 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.94 3m8n n LEU 145 CO 0.56 -0.00 0.50 0.11 -1.33 0.00 0.00 177.39 177.23 3m8n h LYS 146 N 0.00 -0.09 -0.53 3.23 1.57 -1.40 -3.28 116.57 116.06 3m8n h LYS 146 Ca 0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3m8n h LYS 146 Cb 0.01 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 3m8n h LYS 146 CO 0.00 0.44 0.10 0.25 -0.57 0.00 0.00 179.45 179.68 3m8n n THR 147 N -4.85 2.69 -3.82 -0.16 -2.24 -1.16 -4.95 114.28 99.78 3m8n n THR 147 Ca -0.08 -1.77 -0.12 0.00 -2.27 0.00 0.00 64.05 59.80 3m8n n THR 147 Cb 0.29 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.39 -0.15 0.10 3.42 0.01 -1.09 -5.04 114.94 110.80 3m8n s ASN 148 Ca 0.50 0.28 0.15 0.00 -0.71 0.00 0.00 52.86 53.08 3m8n s ASN 148 Cb 0.41 0.32 -0.12 0.00 0.41 0.00 0.00 41.25 42.27 3m8n s ASN 148 CO 0.11 -0.08 0.98 0.44 -1.51 0.00 0.00 177.10 177.04 3m8n h ASP 149 N 5.75 0.00 -4.55 -1.22 5.19 -1.89 -3.39 116.42 116.31 3m8n h ASP 149 Ca -0.26 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.91 3m8n h ASP 149 Cb 1.20 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.55 3m8n h ASP 149 CO 0.41 0.67 -0.70 -0.31 -3.12 0.00 0.00 179.24 176.18 3m8n s TYR 150 N -2.86 0.91 0.24 4.55 2.02 -1.26 -4.85 117.35 116.10 3m8n s TYR 150 Ca -0.01 -0.86 -0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3m8n s TYR 150 Cb 0.08 -0.52 0.26 0.00 -0.40 0.00 0.00 41.96 41.38 3m8n s TYR 150 CO 0.80 -0.12 1.62 0.74 -1.57 0.00 0.00 175.55 177.02 3m8n h PHE 151 N 3.09 0.63 -3.95 2.71 0.04 -1.92 -3.43 116.94 114.11 3m8n h PHE 151 Ca -0.35 -0.17 -0.31 0.00 2.80 0.00 0.00 57.97 59.93 3m8n h PHE 151 Cb 1.17 -0.14 -0.25 0.00 2.20 0.00 0.00 35.95 38.93 3m8n h PHE 151 CO 0.60 0.83 -0.75 0.00 -0.60 0.00 0.00 178.31 178.39 3m8n s ALA 152 N -4.28 0.55 -0.82 2.45 0.00 -1.26 -4.90 121.76 113.50 3m8n s ALA 152 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3m8n s ALA 152 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3m8n s ALA 152 CO 0.81 0.06 0.00 0.00 0.00 0.00 0.00 175.76 176.63 3m8n n ALA 153 N 2.21 -0.12 -1.79 0.00 0.00 -1.26 -2.94 120.51 116.61 3m8n n ALA 153 Ca -0.18 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 3m8n n ALA 153 Cb 0.56 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.62 1.22 3.55 0.00 0.00 -1.26 -4.94 105.19 103.14 3m8n n GLY 154 Ca -0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.01 1.44 0.06 1.61 -2.07 -1.15 -4.85 119.66 110.69 3m8n s GLN 155 Ca 0.00 -0.97 -0.31 0.00 -1.82 0.00 0.00 55.36 52.26 3m8n s GLN 155 Cb 0.00 0.51 -0.08 0.00 -1.09 0.00 0.00 33.01 32.35 3m8n s GLN 155 CO 0.00 -0.61 1.65 -1.17 -1.32 0.00 0.00 175.29 173.85 3m8n s LEU 156 N -2.91 4.36 0.36 2.60 2.96 -1.26 -4.48 118.68 120.30 3m8n s LEU 156 Ca 0.12 2.47 0.05 0.00 -0.22 0.00 0.00 54.13 56.56 3m8n s LEU 156 Cb -0.01 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 3m8n s LEU 156 CO 0.01 -0.89 0.20 0.42 -1.32 0.00 0.00 176.35 174.77 3m8n s THR 157 N 2.71 0.27 0.40 3.68 -4.23 -1.26 -4.54 115.64 112.67 3m8n s THR 157 Ca 0.74 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.58 3m8n s THR 157 Cb -0.39 -2.43 0.36 0.00 1.34 0.00 0.00 72.50 71.37 3m8n s THR 157 CO 0.32 0.00 2.13 0.16 -0.54 0.00 0.00 174.62 176.69 3m8n h ILE 158 N 2.02 0.28 -0.96 2.99 3.07 -1.88 -2.70 117.51 120.33 3m8n h ILE 158 Ca -0.30 -0.39 0.05 0.00 1.55 0.00 0.00 64.86 65.77 3m8n h ILE 158 Cb 1.25 1.30 -0.06 0.00 -0.27 0.00 0.00 36.82 39.04 3m8n h ILE 158 CO 0.47 0.06 0.62 0.00 -1.05 0.00 0.00 178.15 178.24 3m8n h ALA 159 N 1.94 1.30 -0.24 0.16 0.00 -1.88 0.97 119.26 121.51 3m8n h ALA 159 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3m8n h ALA 159 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3m8n h ALA 159 CO 0.01 0.45 -0.04 -0.44 0.00 0.00 0.00 179.25 179.23 3m8n h ASP 160 N 1.16 0.45 -0.52 0.00 3.32 -1.85 -2.08 116.42 116.90 3m8n h ASP 160 Ca 0.40 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3m8n h ASP 160 Cb 0.08 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3m8n h ASP 160 CO -0.15 0.69 0.32 0.40 -1.72 0.00 0.00 179.24 178.79 3m8n h ILE 161 N 0.20 1.15 -0.23 0.35 2.04 -1.50 0.22 117.51 119.74 3m8n h ILE 161 Ca 0.06 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3m8n h ILE 161 Cb 0.48 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3m8n h ILE 161 CO 0.02 0.15 0.13 0.00 0.00 0.00 0.00 178.15 178.45 3m8n h ALA 162 N 1.16 0.29 -0.23 1.87 0.00 -0.72 -2.96 119.26 118.68 3m8n h ALA 162 Ca 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3m8n h ALA 162 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3m8n h ALA 162 CO -0.04 -0.18 -0.19 -0.07 0.00 0.00 0.00 179.25 178.77 3m8n h LEU 163 N 0.26 0.40 -1.35 0.00 3.38 -1.23 -2.96 115.31 113.81 3m8n h LEU 163 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3m8n h LEU 163 Cb 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3m8n h LEU 163 CO -0.01 0.61 0.38 0.22 0.09 0.00 0.00 178.44 179.73 3m8n h TYR 164 N 0.37 0.79 -0.68 1.13 3.20 -0.41 -2.43 116.97 118.95 3m8n h TYR 164 Ca 0.06 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.02 3m8n h TYR 164 Cb 0.55 -0.26 -0.10 0.00 1.54 0.00 0.00 36.73 38.46 3m8n h TYR 164 CO 0.01 0.52 -0.54 0.78 -1.64 0.00 0.00 178.16 177.29 3m8n h GLY 165 N 0.86 -0.78 0.67 1.82 0.00 -1.39 -1.98 103.07 102.27 3m8n h GLY 165 Ca 0.22 0.71 -0.36 0.00 0.00 0.00 0.00 47.33 47.90 3m8n h GLY 165 CO -0.04 -0.07 -1.95 -0.97 0.00 0.00 0.00 176.54 173.50 3m8n h TYR 166 N -0.21 0.47 -1.10 5.60 0.05 -1.77 -3.38 116.97 116.62 3m8n h TYR 166 Ca 0.14 -0.34 0.30 0.00 0.05 0.00 0.00 58.73 58.88 3m8n h TYR 166 Cb 0.53 -0.02 -0.09 0.00 1.01 0.00 0.00 36.73 38.16 3m8n h TYR 166 CO -0.84 1.72 0.73 1.15 -1.05 0.00 0.00 178.16 179.88 3m8n h THR 167 N 0.07 0.45 0.00 -2.88 2.02 -1.39 -0.23 112.91 110.95 3m8n h THR 167 Ca -0.41 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3m8n h THR 167 Cb 2.04 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3m8n h THR 167 CO 0.10 0.05 -0.11 1.12 0.37 0.00 0.00 175.52 177.05 3m8n h HIS 168 N 0.26 0.00 -0.22 3.16 2.07 -1.54 -2.80 115.15 116.09 3m8n h HIS 168 Ca 0.61 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.13 3m8n h HIS 168 Cb 1.81 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.79 3m8n h HIS 168 CO -0.00 0.00 0.00 1.33 -3.07 0.00 0.00 177.93 176.19 3m8n n VAL 169 N -2.44 0.31 0.18 6.12 0.24 -0.12 -4.72 118.33 117.90 3m8n n VAL 169 Ca 0.05 -0.65 -0.14 0.00 -2.04 0.00 0.00 64.34 61.55 3m8n n VAL 169 Cb 0.46 1.15 -0.07 0.00 -1.47 0.00 0.00 33.84 33.91 3m8n n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3m8n h ALA 170 N 4.03 -0.53 0.00 2.33 0.00 -1.28 -1.27 119.26 122.54 3m8n h ALA 170 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3m8n h ALA 170 Cb 0.89 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3m8n h ALA 170 CO 0.00 -0.83 0.22 0.38 0.00 0.00 0.00 179.25 179.03 3m8n h ASP 171 N -0.55 0.00 0.33 0.00 -0.00 -1.82 0.52 116.42 114.91 3m8n h ASP 171 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.02 3m8n h ASP 171 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.83 3m8n h ASP 171 CO -0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 179.24 178.93 3m8n n GLN 172 N -2.23 0.64 -1.91 4.15 6.02 -0.48 -4.27 117.38 119.29 3m8n n GLN 172 Ca -0.01 -0.34 -0.05 0.00 -0.01 0.00 0.00 57.00 56.58 3m8n n GLN 172 Cb 0.25 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 30.08 3m8n n GLN 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m8n n ASP 174 N -0.51 -0.68 -4.91 0.00 9.92 -1.21 -4.77 116.55 114.39 3m8n n ASP 174 Ca 0.20 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.14 3m8n n ASP 174 Cb 0.90 -0.11 -0.04 0.00 -0.64 0.00 0.00 41.12 41.22 3m8n n ASP 174 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3m8n s PHE 175 N -2.05 3.53 -0.22 1.24 0.08 -1.12 -5.03 117.98 114.41 3m8n s PHE 175 Ca 0.00 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.38 3m8n s PHE 175 Cb 0.00 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 3m8n s PHE 175 CO 0.00 0.60 -0.14 0.34 -0.10 0.00 0.00 175.22 175.92 3m8n s ASP 176 N -2.26 3.81 0.00 1.36 2.15 -1.26 -3.76 116.67 116.71 3m8n s ASP 176 Ca 0.32 -0.88 0.21 0.00 0.43 0.00 0.00 52.55 52.64 3m8n s ASP 176 Cb -0.13 -1.56 0.53 0.00 -0.30 0.00 0.00 42.92 41.46 3m8n s ASP 176 CO 0.24 -0.08 1.44 0.18 -0.17 0.00 0.00 175.17 176.78 3m8n n LEU 177 N 4.59 2.97 0.27 -1.34 4.32 -1.26 -4.38 117.00 122.18 3m8n n LEU 177 Ca -0.18 -1.33 0.13 0.00 -0.02 0.00 0.00 56.01 54.61 3m8n n LEU 177 Cb 0.47 -0.26 0.79 0.00 -1.62 0.00 0.00 43.42 42.80 3m8n n LEU 177 CO 0.25 0.67 1.03 0.77 -1.22 0.00 0.00 177.39 178.89 3m8n h SER 178 N 3.68 0.00 -0.07 -1.43 4.64 -2.03 -1.45 113.55 116.88 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 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3m8n h SER 178 CO 0.00 0.08 0.00 1.07 -0.87 0.00 0.00 176.83 177.11 3m8n n THR 179 N -3.76 0.08 -3.33 2.95 5.66 -1.26 -4.42 114.28 110.20 3m8n n THR 179 Ca -0.02 -0.18 -0.26 0.00 -3.05 0.00 0.00 64.05 60.54 3m8n n THR 179 Cb 0.18 0.08 -0.08 0.00 -1.55 0.00 0.00 70.33 68.95 3m8n n THR 179 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3m8n n PHE 180 N -0.22 1.45 -0.24 1.09 3.72 -0.55 -4.96 117.46 117.76 3m8n n PHE 180 Ca 0.17 -3.83 -0.08 0.00 -0.05 0.00 0.00 57.45 53.66 3m8n n PHE 180 Cb 0.22 -0.42 0.04 0.00 -0.94 0.00 0.00 39.48 38.38 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 4.22 1.05 -0.71 -1.08 0.13 -1.77 -1.57 132.00 132.27 3m8n h PRO 181 Ca 0.14 -0.24 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 3m8n h PRO 181 Cb 0.78 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 3m8n h PRO 181 CO 0.63 0.93 0.32 0.00 -0.23 0.00 0.00 178.00 179.64 3m8n h ALA 182 N 1.07 1.21 -0.40 -0.56 0.00 -1.90 0.54 119.26 119.22 3m8n h ALA 182 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3m8n h ALA 182 Cb 0.34 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3m8n h ALA 182 CO -0.00 0.59 0.12 0.28 0.00 0.00 0.00 179.25 180.24 3m8n h VAL 183 N 1.02 1.22 -0.04 0.00 2.07 -1.84 -2.04 116.25 116.63 3m8n h VAL 183 Ca 0.24 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 3m8n h VAL 183 Cb 0.15 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3m8n h VAL 183 CO -0.03 0.25 -0.55 0.78 0.02 0.00 0.00 177.57 178.04 3m8n h ASN 184 N 0.49 0.12 -0.49 0.57 -0.26 -0.62 -1.87 115.58 113.52 3m8n h ASN 184 Ca 0.13 -0.06 -0.13 0.00 -0.56 0.00 0.00 56.30 55.68 3m8n h ASN 184 Cb 0.26 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3m8n h ASN 184 CO -0.00 0.65 -0.19 0.00 -1.06 0.00 0.00 177.43 176.82 3m8n h ALA 185 N 1.36 0.72 -0.37 -0.83 0.00 -0.78 -2.55 119.26 116.81 3m8n h ALA 185 Ca -0.00 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3m8n h ALA 185 Cb 1.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3m8n h ALA 185 CO 0.08 0.67 0.19 2.35 0.00 0.00 0.00 179.25 182.54 3m8n h TRP 186 N 0.87 0.35 -0.59 0.00 7.01 -1.07 0.09 115.95 122.61 3m8n h TRP 186 Ca 0.12 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.19 3m8n h TRP 186 Cb 0.77 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.67 3m8n h TRP 186 CO 0.05 0.19 0.30 -0.07 -2.79 0.00 0.00 178.44 176.12 3m8n h LEU 187 N 0.39 0.43 -0.83 0.65 3.38 -1.24 -0.28 115.31 117.81 3m8n h LEU 187 Ca 0.15 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3m8n h LEU 187 Cb 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3m8n h LEU 187 CO -0.10 0.28 -0.11 0.03 0.09 0.00 0.00 178.44 178.64 3m8n h ARG 188 N 0.57 0.76 -0.61 1.13 3.08 -1.23 -1.13 114.38 116.95 3m8n h ARG 188 Ca 0.27 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3m8n h ARG 188 Cb 0.19 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3m8n h ARG 188 CO -0.19 0.84 0.29 -0.09 -1.07 0.00 0.00 179.97 179.75 3m8n h ARG 189 N 0.69 0.88 -0.03 0.04 2.43 0.21 -2.21 114.38 116.38 3m8n h ARG 189 Ca 0.12 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3m8n h ARG 189 Cb 0.58 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3m8n h ARG 189 CO 0.04 0.71 0.02 0.28 -1.51 0.00 0.00 179.97 179.51 3m8n h VAL 190 N 0.83 1.04 0.00 0.20 2.07 -0.94 -2.43 116.25 117.02 3m8n h VAL 190 Ca 0.21 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3m8n h VAL 190 Cb 0.13 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3m8n h VAL 190 CO -0.02 0.03 0.13 -0.33 0.02 0.00 0.00 177.57 177.40 3m8n h GLU 191 N 0.01 0.00 -0.17 1.57 5.08 -0.97 -2.77 114.58 117.33 3m8n h GLU 191 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3m8n h GLU 191 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3m8n h GLU 191 CO -0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 3m8n n GLN 192 N -2.73 2.18 -1.99 2.33 1.13 -0.85 -4.80 117.38 112.65 3m8n n GLN 192 Ca -0.02 -1.97 -0.41 0.00 -1.94 0.00 0.00 57.00 52.66 3m8n n GLN 192 Cb 0.18 -1.44 -0.02 0.00 0.11 0.00 0.00 30.24 29.07 3m8n n GLN 192 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3m8n s THR 193 N -1.63 2.52 0.31 5.09 2.01 -1.05 -4.95 115.64 117.94 3m8n s THR 193 Ca 0.30 0.47 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 3m8n s THR 193 Cb 0.19 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.30 3m8n s THR 193 CO 0.28 0.09 1.41 -2.84 -0.69 0.00 0.00 174.62 172.87 3m8n s PRO 194 N -1.11 4.26 0.00 4.92 0.02 -1.26 -2.28 135.00 139.55 3m8n s PRO 194 Ca 0.55 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3m8n s PRO 194 Cb -0.43 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.03 3m8n s PRO 194 CO 0.50 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 3m8n n GLY 195 N 1.30 0.69 3.77 0.52 0.00 -1.26 -4.84 105.19 105.36 3m8n n GLY 195 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3m8n n GLY 195 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m8n s PHE 196 N -2.35 2.75 0.10 1.61 5.36 -0.97 -4.10 117.98 120.38 3m8n s PHE 196 Ca 0.00 1.38 0.07 0.00 -0.96 0.00 0.00 56.93 57.42 3m8n s PHE 196 Cb 0.00 -3.72 -0.03 0.00 -0.34 0.00 0.00 43.02 38.92 3m8n s PHE 196 CO 0.00 -2.26 -0.17 0.96 -1.46 0.00 0.00 175.22 172.29 3m8n s ILE 197 N -1.24 1.45 0.00 3.12 -4.36 -1.26 -5.07 121.20 113.83 3m8n s ILE 197 Ca 0.57 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 59.47 3m8n s ILE 197 Cb -0.39 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 41.93 3m8n s ILE 197 CO 0.51 -0.18 0.00 0.35 0.24 0.00 0.00 174.94 175.86 3m8n n THR 198 N 1.05 0.00 0.00 8.37 -2.24 -1.26 -4.94 114.28 115.26 3m8n n THR 198 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 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 -4.75 3.42 5.75 -1.26 -4.90 116.55 114.81 3m8n n ASP 200 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 3m8n n ASP 200 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 3m8n n ASP 200 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3m8n n TRP 201 N 0.00 2.88 -4.38 2.11 -0.00 -1.26 -5.01 117.44 111.78 3m8n n TRP 201 Ca 0.00 0.28 -0.35 0.00 -0.00 0.00 0.00 57.50 57.43 3m8n n TRP 201 Cb 0.00 -2.59 -0.10 0.00 -0.00 0.00 0.00 31.31 28.62 3m8n n TRP 201 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 3m8n s THR 202 N -0.15 4.29 -2.00 5.87 -4.23 -1.26 -5.13 115.64 113.03 3m8n s THR 202 Ca 0.63 -0.26 0.31 0.00 -1.18 0.00 0.00 61.69 61.19 3m8n s THR 202 Cb -0.49 -2.80 0.88 0.00 1.34 0.00 0.00 72.50 71.43 3m8n s THR 202 CO 0.51 0.61 2.18 -2.65 -0.54 0.00 0.00 174.62 174.72