#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7n n ASP 3 N 0.00 3.94 0.00 0.00 2.03 -1.26 -4.89 116.55 116.37 3f7n n ASP 3 Ca 0.00 1.01 0.11 0.00 0.52 0.00 0.00 54.79 56.42 3f7n n ASP 3 Cb 0.00 -1.53 0.49 0.00 -0.72 0.00 0.00 41.12 39.36 3f7n n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3f7n n LYS 4 N 5.24 0.05 0.00 -0.67 4.76 -1.26 -1.64 118.16 124.64 3f7n n LYS 4 Ca 0.18 0.11 0.13 0.00 -2.87 0.00 0.00 58.31 55.86 3f7n n LYS 4 Cb 0.36 -1.50 0.42 0.00 -1.84 0.00 0.00 35.03 32.47 3f7n n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3f7n n GLU 5 N -1.47 1.67 -1.64 1.97 -0.58 -1.26 -4.18 120.64 115.16 3f7n n GLU 5 Ca 0.06 -1.08 -0.60 0.00 -0.42 0.00 0.00 57.16 55.12 3f7n n GLU 5 Cb 0.25 -1.48 -0.08 0.00 -0.57 0.00 0.00 31.44 29.56 3f7n n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3f7n n LEU 6 N 0.28 1.11 -4.62 -4.62 7.94 -0.65 -4.84 117.00 111.60 3f7n n LEU 6 Ca 0.17 1.15 -0.40 0.00 -1.11 0.00 0.00 56.01 55.82 3f7n n LEU 6 Cb 0.40 -0.99 -0.08 0.00 0.53 0.00 0.00 43.42 43.28 3f7n n LEU 6 CO 0.18 -1.14 0.22 -0.75 -1.11 0.00 0.00 177.39 174.78 3f7n s LYS 7 N 1.71 4.08 -0.12 1.96 2.20 -1.26 -4.49 119.74 123.83 3f7n s LYS 7 Ca 0.96 0.30 -0.07 0.00 -0.36 0.00 0.00 55.97 56.80 3f7n s LYS 7 Cb -1.25 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 31.39 3f7n s LYS 7 CO 0.65 -0.30 0.13 -0.06 -0.36 0.00 0.00 175.35 175.41 3f7n s PHE 8 N 2.14 3.56 -0.20 4.03 0.40 0.02 -0.67 117.98 127.26 3f7n s PHE 8 Ca 0.21 0.50 -0.04 0.00 -0.60 0.00 0.00 56.93 56.99 3f7n s PHE 8 Cb -0.16 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 3f7n s PHE 8 CO 0.09 0.70 -0.03 -1.17 0.70 0.00 0.00 175.22 175.52 3f7n s LEU 9 N -0.97 3.06 -0.27 -0.37 2.96 0.35 -1.03 118.68 122.42 3f7n s LEU 9 Ca 0.15 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 3f7n s LEU 9 Cb -0.12 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 3f7n s LEU 9 CO 0.04 0.04 0.06 -0.69 -1.32 0.00 0.00 176.35 174.48 3f7n s VAL 10 N 1.13 4.08 -0.17 1.68 1.01 0.28 -0.79 120.40 127.62 3f7n s VAL 10 Ca 0.02 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3f7n s VAL 10 Cb -0.15 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.27 3f7n s VAL 10 CO 0.00 0.24 -0.19 -0.69 0.00 0.00 0.00 175.10 174.46 3f7n s VAL 11 N 1.56 1.94 -0.22 2.92 1.01 0.13 -0.57 120.40 127.16 3f7n s VAL 11 Ca 0.05 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 3f7n s VAL 11 Cb -0.16 -1.76 0.12 0.00 0.00 0.00 0.00 36.38 34.58 3f7n s VAL 11 CO 0.02 0.52 0.98 -0.62 0.00 0.00 0.00 175.10 176.01 3f7n s ASP 12 N 1.26 -0.45 0.00 3.32 -1.08 -0.71 -0.71 116.67 118.30 3f7n s ASP 12 Ca 0.03 0.72 0.23 0.00 -0.52 0.00 0.00 52.55 53.01 3f7n s ASP 12 Cb -0.13 0.68 1.03 0.00 -1.46 0.00 0.00 42.92 43.04 3f7n s ASP 12 CO -0.11 -0.25 1.74 -0.90 0.52 0.00 0.00 175.17 176.17 3f7n n ASP 13 N 1.64 0.00 -4.46 -0.34 5.75 -1.20 -4.22 116.55 113.70 3f7n n ASP 13 Ca -0.12 0.35 -0.36 0.00 -0.01 0.00 0.00 54.79 54.64 3f7n n ASP 13 Cb 0.57 -0.44 -0.12 0.00 -1.03 0.00 0.00 41.12 40.09 3f7n n ASP 13 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3f7n s GLU 14 N -2.88 3.69 0.44 0.11 2.02 -1.26 -4.98 118.70 115.83 3f7n s GLU 14 Ca 0.14 -0.46 0.10 0.00 0.02 0.00 0.00 54.97 54.77 3f7n s GLU 14 Cb 0.15 -3.33 0.98 0.00 0.10 0.00 0.00 34.13 32.03 3f7n s GLU 14 CO 0.40 -0.16 2.08 0.66 0.02 0.00 0.00 175.26 178.25 3f7n h SER 15 N 8.15 0.31 -0.77 -0.19 4.64 -2.00 -1.79 113.55 121.90 3f7n h SER 15 Ca -0.38 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 3f7n h SER 15 Cb 1.18 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 3f7n h SER 15 CO 0.58 0.24 0.43 0.74 -0.87 0.00 0.00 176.83 177.96 3f7n h THR 16 N 0.36 1.23 -0.04 2.95 2.02 -1.97 -0.72 112.91 116.74 3f7n h THR 16 Ca 0.10 -0.55 -0.19 0.00 0.77 0.00 0.00 66.41 66.54 3f7n h THR 16 Cb -0.01 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3f7n h THR 16 CO -0.02 0.25 -0.78 -0.03 0.37 0.00 0.00 175.52 175.31 3f7n h MET 17 N 1.06 0.32 -0.52 6.66 -1.53 -1.76 -1.02 114.93 118.14 3f7n h MET 17 Ca 0.27 -0.29 -0.08 0.00 -3.44 0.00 0.00 59.70 56.17 3f7n h MET 17 Cb 0.02 0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.11 3f7n h MET 17 CO -0.05 0.95 0.01 0.00 0.14 0.00 0.00 176.91 177.97 3f7n h ARG 18 N 0.21 0.88 -0.55 0.39 3.08 -1.14 -2.39 114.38 114.85 3f7n h ARG 18 Ca -0.04 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.67 3f7n h ARG 18 Cb 1.37 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 3f7n h ARG 18 CO 0.13 0.87 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.78 3f7n h ARG 19 N 0.82 0.99 -0.05 0.04 2.43 -0.93 0.12 114.38 117.79 3f7n h ARG 19 Ca 0.16 -0.33 0.04 0.00 -0.81 0.00 0.00 59.98 59.03 3f7n h ARG 19 Cb 0.47 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 3f7n h ARG 19 CO 0.02 1.00 -0.22 0.82 -1.51 0.00 0.00 179.97 180.08 3f7n h ILE 20 N 0.87 0.47 -0.44 1.20 2.04 -1.07 -1.67 117.51 118.91 3f7n h ILE 20 Ca 0.15 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.91 3f7n h ILE 20 Cb 0.57 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3f7n h ILE 20 CO 0.03 0.00 -0.13 0.58 0.00 0.00 0.00 178.15 178.63 3f7n h VAL 21 N -0.33 1.27 -0.68 1.67 2.07 -1.19 -1.46 116.25 117.60 3f7n h VAL 21 Ca 0.08 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3f7n h VAL 21 Cb 0.43 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3f7n h VAL 21 CO -0.24 0.43 0.37 -0.09 0.02 0.00 0.00 177.57 178.06 3f7n h ARG 22 N 0.70 0.95 -0.61 1.57 2.43 -0.73 -0.47 114.38 118.22 3f7n h ARG 22 Ca 0.11 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3f7n h ARG 22 Cb 0.68 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3f7n h ARG 22 CO 0.05 0.72 0.09 -0.91 -1.51 0.00 0.00 179.97 178.40 3f7n h ASN 23 N 0.93 0.98 -0.53 -3.80 4.21 -1.10 -1.27 115.58 115.00 3f7n h ASN 23 Ca 0.24 -0.27 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3f7n h ASN 23 Cb 0.05 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 36.96 3f7n h ASN 23 CO -0.04 1.00 0.35 -0.07 -1.29 0.00 0.00 177.43 177.38 3f7n h LEU 24 N 0.92 0.62 -0.64 1.61 3.38 -0.98 -1.83 115.31 118.38 3f7n h LEU 24 Ca 0.18 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3f7n h LEU 24 Cb 0.44 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3f7n h LEU 24 CO 0.01 0.45 0.40 -0.07 0.09 0.00 0.00 178.44 179.32 3f7n h LEU 25 N 0.72 0.64 -0.35 1.67 3.38 -0.81 -1.69 115.31 118.88 3f7n h LEU 25 Ca 0.19 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3f7n h LEU 25 Cb -0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3f7n h LEU 25 CO -0.04 0.44 0.17 0.50 0.09 0.00 0.00 178.44 179.60 3f7n h LYS 26 N 0.77 0.34 -0.84 1.13 3.64 -0.93 0.23 116.57 120.91 3f7n h LYS 26 Ca 0.26 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.73 3f7n h LYS 26 Cb 0.03 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 3f7n h LYS 26 CO -0.11 0.23 0.55 1.49 -2.27 0.00 0.00 179.45 179.33 3f7n h GLU 27 N 0.35 0.75 0.00 1.90 4.57 -1.02 -1.17 114.58 119.96 3f7n h GLU 27 Ca 0.14 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3f7n h GLU 27 Cb 0.06 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3f7n h GLU 27 CO -0.10 0.50 0.00 1.28 -1.18 0.00 0.00 179.01 179.50 3f7n n LEU 28 N -4.52 0.00 0.00 1.64 4.77 -0.66 -4.88 117.00 113.34 3f7n n LEU 28 Ca 0.15 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3f7n n LEU 28 Cb 0.35 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3f7n n LEU 28 CO 0.31 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3f7n n GLY 29 N 1.08 0.96 3.37 -0.72 0.00 -0.44 -5.07 105.19 104.36 3f7n n GLY 29 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 3f7n n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f7n s PHE 30 N -2.00 3.26 -0.90 1.61 0.08 0.72 -4.81 117.98 115.94 3f7n s PHE 30 Ca 0.00 -1.02 0.18 0.00 0.12 0.00 0.00 56.93 56.20 3f7n s PHE 30 Cb 0.00 -3.12 -0.18 0.00 -0.57 0.00 0.00 43.02 39.15 3f7n s PHE 30 CO 0.00 -0.80 0.77 0.09 -0.10 0.00 0.00 175.22 175.18 3f7n n ASN 31 N 5.15 0.91 -4.47 1.36 3.02 -1.26 -3.06 115.26 116.91 3f7n n ASN 31 Ca -0.12 -0.95 -0.44 0.00 -0.03 0.00 0.00 54.58 53.04 3f7n n ASN 31 Cb 0.44 0.96 -0.01 0.00 -0.61 0.00 0.00 39.78 40.56 3f7n n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3f7n s ASN 32 N -2.64 6.93 -0.05 6.41 2.47 -1.26 -4.94 114.94 121.86 3f7n s ASN 32 Ca 0.07 -2.67 0.00 0.00 0.42 0.00 0.00 52.86 50.68 3f7n s ASN 32 Cb 0.14 -2.42 0.02 0.00 -1.45 0.00 0.00 41.25 37.54 3f7n s ASN 32 CO 0.71 -0.88 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.49 3f7n s VAL 33 N 2.19 0.44 0.38 -5.21 1.01 -1.26 -0.80 120.40 117.15 3f7n s VAL 33 Ca 0.41 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.46 3f7n s VAL 33 Cb -0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.77 3f7n s VAL 33 CO -0.02 0.23 -0.04 -1.61 0.00 0.00 0.00 175.10 173.66 3f7n s GLU 34 N 1.27 1.88 0.12 2.72 0.41 -0.19 -4.97 118.70 119.93 3f7n s GLU 34 Ca -0.06 -2.02 0.08 0.00 -0.41 0.00 0.00 54.97 52.56 3f7n s GLU 34 Cb -0.14 -1.65 -0.04 0.00 -1.78 0.00 0.00 34.13 30.53 3f7n s GLU 34 CO -0.02 0.04 -0.20 -1.21 -0.49 0.00 0.00 175.26 173.38 3f7n s GLU 35 N -3.67 1.13 -0.02 1.61 2.02 -1.26 -0.55 118.70 117.96 3f7n s GLU 35 Ca 0.34 -1.21 -0.07 0.00 0.02 0.00 0.00 54.97 54.05 3f7n s GLU 35 Cb 0.06 -1.32 0.01 0.00 0.10 0.00 0.00 34.13 32.99 3f7n s GLU 35 CO 0.17 0.29 0.16 0.00 0.02 0.00 0.00 175.26 175.91 3f7n s ALA 36 N -1.41 -0.39 -1.29 5.21 0.00 0.26 -4.89 121.76 119.25 3f7n s ALA 36 Ca 0.08 0.13 0.21 0.00 0.00 0.00 0.00 51.96 52.39 3f7n s ALA 36 Cb -0.09 -0.05 -0.16 0.00 0.00 0.00 0.00 23.12 22.83 3f7n s ALA 36 CO 0.05 -0.16 0.96 -0.85 0.00 0.00 0.00 175.76 175.75 3f7n n GLU 37 N 2.02 0.34 -3.85 0.00 0.28 -1.26 -1.74 120.64 116.43 3f7n n GLU 37 Ca -0.19 -0.28 -0.06 0.00 -0.16 0.00 0.00 57.16 56.47 3f7n n GLU 37 Cb 0.57 -1.49 0.02 0.00 1.43 0.00 0.00 31.44 31.97 3f7n n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 3f7n s ASP 38 N -2.86 0.01 0.33 -1.84 1.47 -1.26 -3.27 116.67 109.25 3f7n s ASP 38 Ca 0.11 -0.92 0.04 0.00 1.18 0.00 0.00 52.55 52.96 3f7n s ASP 38 Cb 0.17 0.68 0.58 0.00 -0.34 0.00 0.00 42.92 44.00 3f7n s ASP 38 CO 0.79 -1.35 1.86 1.23 0.68 0.00 0.00 175.17 178.38 3f7n h GLY 39 N 2.00 0.56 0.56 2.12 0.00 -1.34 -1.03 103.07 105.93 3f7n h GLY 39 Ca -0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3f7n h GLY 39 CO 0.39 0.32 -0.06 -2.08 0.00 0.00 0.00 176.54 175.11 3f7n h VAL 40 N 0.49 1.07 -0.80 4.60 2.07 -1.88 -0.89 116.25 120.92 3f7n h VAL 40 Ca 0.10 -0.91 0.19 0.00 0.82 0.00 0.00 66.70 66.89 3f7n h VAL 40 Cb 0.37 1.63 -0.14 0.00 -1.52 0.00 0.00 31.29 31.63 3f7n h VAL 40 CO 0.01 0.21 -0.01 -0.78 0.02 0.00 0.00 177.57 177.03 3f7n h ASP 41 N -0.60 -0.40 -0.04 0.57 3.58 -1.95 0.09 116.42 117.68 3f7n h ASP 41 Ca -0.02 0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 3f7n h ASP 41 Cb 0.47 0.38 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 3f7n h ASP 41 CO 0.03 -0.21 0.02 0.00 -2.88 0.00 0.00 179.24 176.20 3f7n h ALA 42 N 1.76 0.05 -0.42 -0.78 0.00 -0.96 -1.32 119.26 117.59 3f7n h ALA 42 Ca 0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3f7n h ALA 42 Cb 0.79 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3f7n h ALA 42 CO -0.72 -0.41 0.18 -0.07 0.00 0.00 0.00 179.25 178.23 3f7n h LEU 43 N -0.01 0.53 -0.54 0.00 3.38 -0.59 0.13 115.31 118.20 3f7n h LEU 43 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3f7n h LEU 43 Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3f7n h LEU 43 CO -0.00 0.48 0.34 0.78 0.09 0.00 0.00 178.44 180.13 3f7n h ASN 44 N 0.59 0.64 -0.32 -0.43 -0.26 -0.58 0.01 115.58 115.23 3f7n h ASN 44 Ca 0.15 -0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.77 3f7n h ASN 44 Cb 0.10 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 3f7n h ASN 44 CO -0.02 0.49 -0.12 0.11 -1.06 0.00 0.00 177.43 176.83 3f7n h LYS 45 N 0.73 0.65 -1.00 0.81 1.57 -0.70 -3.15 116.57 115.48 3f7n h LYS 45 Ca 0.20 -0.27 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3f7n h LYS 45 Cb -0.05 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 3f7n h LYS 45 CO -0.04 0.85 0.65 -0.07 -0.57 0.00 0.00 179.45 180.27 3f7n h LEU 46 N 0.41 1.09 -1.85 2.94 3.38 -0.53 -1.35 115.31 119.40 3f7n h LEU 46 Ca 0.08 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.17 3f7n h LEU 46 Cb 0.64 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3f7n h LEU 46 CO 0.04 0.74 0.39 -0.61 0.09 0.00 0.00 178.44 179.09 3f7n h GLN 47 N 1.26 0.16 0.00 1.13 -0.00 -0.96 0.62 115.11 117.31 3f7n h GLN 47 Ca 0.40 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.04 3f7n h GLN 47 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.45 3f7n h GLN 47 CO -0.13 0.10 0.00 0.00 0.00 0.00 0.00 178.83 178.81 3f7n h ALA 48 N 1.72 1.00 0.00 3.38 0.00 -1.21 -3.49 119.26 120.67 3f7n h ALA 48 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3f7n h ALA 48 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3f7n h ALA 48 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 3f7n n GLY 49 N -0.28 -0.85 1.98 0.00 0.00 0.21 -5.00 105.19 101.25 3f7n n GLY 49 Ca -0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3f7n n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7n n GLY 50 N -0.94 2.59 3.77 -0.02 0.00 -1.26 -4.94 105.19 104.37 3f7n n GLY 50 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3f7n n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f7n s TYR 51 N -2.16 3.43 0.00 1.61 2.02 -1.26 -4.52 117.35 116.46 3f7n s TYR 51 Ca 0.00 1.67 0.00 0.00 -0.37 0.00 0.00 57.07 58.37 3f7n s TYR 51 Cb 0.00 -3.25 0.00 0.00 -0.40 0.00 0.00 41.96 38.31 3f7n s TYR 51 CO 0.00 -0.66 0.18 0.41 -1.57 0.00 0.00 175.55 173.91 3f7n n GLY 52 N 0.87 0.10 3.63 0.71 0.00 0.15 -4.95 105.19 105.71 3f7n n GLY 52 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3f7n n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f7n s PHE 53 N -0.57 -0.75 -0.09 1.61 2.19 -1.04 -4.30 117.98 115.02 3f7n s PHE 53 Ca 0.00 1.77 0.04 0.00 0.33 0.00 0.00 56.93 59.07 3f7n s PHE 53 Cb 0.00 0.34 0.00 0.00 -1.31 0.00 0.00 43.02 42.05 3f7n s PHE 53 CO 0.00 -0.37 -0.22 0.08 1.83 0.00 0.00 175.22 176.54 3f7n s VAL 54 N 0.55 1.92 -0.19 3.12 1.01 -0.01 -0.50 120.40 126.30 3f7n s VAL 54 Ca -0.01 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 3f7n s VAL 54 Cb -0.05 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.68 3f7n s VAL 54 CO -0.04 0.53 -0.16 -0.63 0.00 0.00 0.00 175.10 174.80 3f7n s ILE 55 N 0.31 2.35 -0.03 2.22 1.01 0.03 -0.50 121.20 126.58 3f7n s ILE 55 Ca -0.16 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3f7n s ILE 55 Cb -0.17 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.30 3f7n s ILE 55 CO 0.07 0.51 -0.08 -0.55 0.00 0.00 0.00 174.94 174.90 3f7n s SER 56 N 1.33 1.12 1.02 3.58 0.15 0.26 -0.69 113.70 120.47 3f7n s SER 56 Ca 0.05 -0.17 -0.11 0.00 0.70 0.00 0.00 55.95 56.42 3f7n s SER 56 Cb -0.13 -0.39 0.20 0.00 -1.71 0.00 0.00 66.02 63.99 3f7n s SER 56 CO -0.11 0.03 1.09 -0.62 1.20 0.00 0.00 173.24 174.83 3f7n s ASP 57 N 0.43 2.17 -0.07 5.45 2.15 0.11 -0.55 116.67 126.35 3f7n s ASP 57 Ca -0.06 1.81 -0.07 0.00 0.43 0.00 0.00 52.55 54.65 3f7n s ASP 57 Cb -0.11 -2.41 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 3f7n s ASP 57 CO 0.01 -3.51 -0.14 1.87 -0.17 0.00 0.00 175.17 173.23 3f7n n TRP 58 N -4.48 0.06 -2.35 -5.34 -0.00 -1.26 -3.74 117.44 100.33 3f7n n TRP 58 Ca 0.07 0.02 -0.42 0.00 -0.00 0.00 0.00 57.50 57.18 3f7n n TRP 58 Cb 0.53 -0.25 -0.02 0.00 -0.00 0.00 0.00 31.31 31.57 3f7n n TRP 58 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 3f7n s MET 59 N -1.78 3.41 -0.06 5.87 1.00 -1.26 -0.42 119.30 126.07 3f7n s MET 59 Ca -0.12 0.72 -0.13 0.00 0.00 0.00 0.00 55.69 56.16 3f7n s MET 59 Cb 0.02 -4.09 0.03 0.00 0.00 0.00 0.00 34.83 30.78 3f7n s MET 59 CO 0.17 -1.78 0.31 -1.64 0.00 0.00 0.00 175.02 172.08 3f7n s MET 60 N 5.29 0.55 0.94 2.03 -1.94 -1.26 -4.70 119.30 120.21 3f7n s MET 60 Ca 0.58 0.06 -0.12 0.00 -1.71 0.00 0.00 55.69 54.50 3f7n s MET 60 Cb -0.12 0.25 0.16 0.00 2.01 0.00 0.00 34.83 37.12 3f7n s MET 60 CO 0.29 -0.13 1.09 -1.25 -0.01 0.00 0.00 175.02 175.02 3f7n s PRO 61 N -0.73 0.88 0.00 2.03 0.04 -1.26 -3.51 135.00 132.44 3f7n s PRO 61 Ca -0.08 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.64 3f7n s PRO 61 Cb -0.04 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3f7n s PRO 61 CO 0.03 -2.47 0.00 0.09 0.04 0.00 0.00 177.00 174.69 3f7n n ASN 62 N -4.02 0.00 -3.58 6.66 3.02 -1.26 -4.42 115.26 111.65 3f7n n ASN 62 Ca 0.06 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.52 3f7n n ASN 62 Cb 0.56 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 3f7n n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3f7n s MET 63 N 0.00 0.31 1.03 3.52 1.75 -1.26 -4.83 119.30 119.82 3f7n s MET 63 Ca 0.00 0.89 -0.12 0.00 -1.25 0.00 0.00 55.69 55.21 3f7n s MET 63 Cb 0.00 0.10 0.21 0.00 2.84 0.00 0.00 34.83 37.98 3f7n s MET 63 CO 0.00 -0.35 1.07 0.16 -0.65 0.00 0.00 175.02 175.26 3f7n s ASP 64 N 2.58 2.26 0.34 1.11 1.47 -1.23 -1.14 116.67 122.06 3f7n s ASP 64 Ca 0.02 1.45 0.17 0.00 1.18 0.00 0.00 52.55 55.37 3f7n s ASP 64 Cb -0.13 -2.14 0.52 0.00 -0.34 0.00 0.00 42.92 40.83 3f7n s ASP 64 CO -0.13 -3.40 1.66 1.23 0.68 0.00 0.00 175.17 175.21 3f7n h GLY 65 N -2.07 0.00 0.87 2.12 0.00 -0.82 -1.28 103.07 101.88 3f7n h GLY 65 Ca -0.55 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3f7n h GLY 65 CO 0.53 0.00 -0.13 -2.00 0.00 0.00 0.00 176.54 174.94 3f7n h LEU 66 N 0.00 0.55 -0.88 3.11 6.46 -1.83 0.02 115.31 122.74 3f7n h LEU 66 Ca -0.00 -0.41 0.01 0.00 -0.12 0.00 0.00 57.88 57.35 3f7n h LEU 66 Cb 1.03 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.77 3f7n h LEU 66 CO 0.06 0.84 0.57 -0.33 -0.62 0.00 0.00 178.44 178.96 3f7n h GLU 67 N 0.26 1.17 -0.12 1.25 4.39 -1.92 -0.16 114.58 119.45 3f7n h GLU 67 Ca 0.06 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3f7n h GLU 67 Cb 0.64 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3f7n h GLU 67 CO 0.04 0.78 0.07 1.25 -1.16 0.00 0.00 179.01 179.99 3f7n h LEU 68 N 1.20 0.12 -0.20 1.33 5.85 -1.10 0.13 115.31 122.63 3f7n h LEU 68 Ca 0.32 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.06 3f7n h LEU 68 Cb -0.12 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3f7n h LEU 68 CO -0.07 0.09 0.08 0.25 -0.34 0.00 0.00 178.44 178.45 3f7n h LEU 69 N 0.14 0.11 -0.91 2.25 5.85 -0.77 -0.77 115.31 121.22 3f7n h LEU 69 Ca 0.04 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3f7n h LEU 69 Cb -0.01 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3f7n h LEU 69 CO -0.02 0.09 0.33 0.11 -0.34 0.00 0.00 178.44 178.61 3f7n h LYS 70 N 0.19 1.12 -0.19 1.25 1.57 -0.83 -1.27 116.57 118.40 3f7n h LYS 70 Ca 0.08 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3f7n h LYS 70 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3f7n h LYS 70 CO -0.07 0.89 0.10 1.15 -0.57 0.00 0.00 179.45 180.94 3f7n h THR 71 N 1.10 1.11 -0.36 -0.16 2.02 -0.49 -2.06 112.91 114.07 3f7n h THR 71 Ca 0.26 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 67.15 3f7n h THR 71 Cb 0.17 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 3f7n h THR 71 CO -0.03 0.11 0.15 0.40 0.37 0.00 0.00 175.52 176.52 3f7n h ILE 72 N 0.19 0.93 0.00 3.11 2.04 -0.89 -2.29 117.51 120.59 3f7n h ILE 72 Ca 0.06 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 3f7n h ILE 72 Cb 0.09 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3f7n h ILE 72 CO -0.01 0.06 -0.30 0.03 0.00 0.00 0.00 178.15 177.93 3f7n h ARG 73 N 0.31 0.00 0.00 2.37 2.47 -1.08 -2.57 114.38 115.88 3f7n h ARG 73 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3f7n h ARG 73 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3f7n h ARG 73 CO -0.14 0.30 -0.55 0.00 0.56 0.00 0.00 179.97 180.14 3f7n h ALA 74 N 1.70 0.66 -2.48 0.04 0.00 -1.15 -3.42 119.26 114.61 3f7n h ALA 74 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 3f7n h ALA 74 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 3f7n h ALA 74 CO 0.04 0.00 0.16 0.34 0.00 0.00 0.00 179.25 179.79 3f7n s ASP 75 N -4.65 6.59 0.55 0.00 2.15 -0.88 -4.94 116.67 115.48 3f7n s ASP 75 Ca 0.06 0.72 0.25 0.00 0.43 0.00 0.00 52.55 54.01 3f7n s ASP 75 Cb 0.12 -2.34 1.45 0.00 -0.30 0.00 0.00 42.92 41.85 3f7n s ASP 75 CO 0.71 -0.37 2.03 1.23 -0.17 0.00 0.00 175.17 178.60 3f7n h GLY 76 N 8.87 0.00 2.00 2.66 0.00 -1.88 0.94 103.07 115.67 3f7n h GLY 76 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3f7n h GLY 76 CO 0.77 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 177.02 3f7n h ALA 77 N 1.74 0.85 -0.00 3.60 0.00 -1.92 -3.37 119.26 120.17 3f7n h ALA 77 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3f7n h ALA 77 Cb 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3f7n h ALA 77 CO -0.00 0.37 -0.00 -1.33 0.00 0.00 0.00 179.25 178.29 3f7n n MET 78 N -3.24 2.38 0.30 0.00 2.81 -0.40 -4.90 117.12 114.06 3f7n n MET 78 Ca 0.02 -0.29 0.17 0.00 -1.81 0.00 0.00 57.70 55.79 3f7n n MET 78 Cb 0.59 -0.79 0.91 0.00 -0.71 0.00 0.00 33.22 33.22 3f7n n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3f7n h SER 79 N 0.01 0.00 0.08 7.83 4.64 -0.77 -1.12 113.55 124.22 3f7n h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f7n h SER 79 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3f7n h SER 79 CO 0.00 0.04 -0.48 0.00 -0.87 0.00 0.00 176.83 175.52 3f7n n ALA 80 N -2.18 3.58 -1.67 5.18 0.00 -1.26 -4.59 120.51 119.56 3f7n n ALA 80 Ca -0.02 -0.56 -0.48 0.00 0.00 0.00 0.00 53.44 52.38 3f7n n ALA 80 Cb 0.18 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 3f7n n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3f7n n LEU 81 N -0.45 3.11 -4.74 0.00 7.94 -0.43 -4.91 117.00 117.52 3f7n n LEU 81 Ca 0.09 1.04 -0.42 0.00 -1.11 0.00 0.00 56.01 55.62 3f7n n LEU 81 Cb 0.41 -1.38 -0.02 0.00 0.53 0.00 0.00 43.42 42.97 3f7n n LEU 81 CO 0.30 -0.25 1.28 -2.84 -1.11 0.00 0.00 177.39 174.77 3f7n s PRO 82 N 2.28 4.11 -0.22 1.96 0.02 -1.26 -4.90 135.00 136.99 3f7n s PRO 82 Ca 0.86 2.61 -0.00 0.00 0.02 0.00 0.00 61.00 64.48 3f7n s PRO 82 Cb -0.72 -3.02 0.06 0.00 0.02 0.00 0.00 34.50 30.83 3f7n s PRO 82 CO 0.45 -0.67 -0.04 0.08 -0.33 0.00 0.00 177.00 176.49 3f7n s VAL 83 N 0.22 1.30 -0.27 3.83 1.01 -1.26 -0.83 120.40 124.40 3f7n s VAL 83 Ca 0.66 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 3f7n s VAL 83 Cb -0.49 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3f7n s VAL 83 CO 0.45 -0.08 0.28 -0.22 0.00 0.00 0.00 175.10 175.53 3f7n s LEU 84 N 1.51 4.03 0.05 3.92 2.96 0.34 -0.57 118.68 130.92 3f7n s LEU 84 Ca -0.04 0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 53.74 3f7n s LEU 84 Cb -0.18 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 3f7n s LEU 84 CO -0.07 -0.11 0.87 -0.04 -1.32 0.00 0.00 176.35 175.68 3f7n s MET 85 N 1.87 4.57 -0.27 1.98 -1.94 -0.69 -0.58 119.30 124.23 3f7n s MET 85 Ca 0.11 1.24 -0.02 0.00 -1.71 0.00 0.00 55.69 55.32 3f7n s MET 85 Cb -0.16 -3.40 0.09 0.00 2.01 0.00 0.00 34.83 33.38 3f7n s MET 85 CO 0.10 0.17 0.08 0.08 -0.01 0.00 0.00 175.02 175.45 3f7n s VAL 86 N 0.25 0.68 -0.00 -6.03 1.01 0.28 0.43 120.40 117.03 3f7n s VAL 86 Ca 0.44 -1.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 3f7n s VAL 86 Cb -0.21 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3f7n s VAL 86 CO 0.26 -0.54 0.32 0.28 0.00 0.00 0.00 175.10 175.41 3f7n s THR 87 N 1.74 0.06 -0.03 3.92 -1.32 -0.26 -3.53 115.64 116.22 3f7n s THR 87 Ca 0.06 -0.50 0.31 0.00 -1.21 0.00 0.00 61.69 60.36 3f7n s THR 87 Cb -0.17 -0.68 0.38 0.00 -1.51 0.00 0.00 72.50 70.52 3f7n s THR 87 CO -0.22 -0.27 1.89 0.00 -2.21 0.00 0.00 174.62 173.81 3f7n h ALA 88 N 3.73 1.00 -2.52 11.08 0.00 -1.85 -0.32 119.26 130.38 3f7n h ALA 88 Ca -0.30 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.08 3f7n h ALA 88 Cb 1.18 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.00 3f7n h ALA 88 CO 0.41 0.00 1.01 -0.51 0.00 0.00 0.00 179.25 180.16 3f7n s LEU 89 N -6.20 4.38 0.00 0.00 1.43 -1.26 -4.74 118.68 112.29 3f7n s LEU 89 Ca 0.03 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 3f7n s LEU 89 Cb 0.08 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3f7n s LEU 89 CO 0.58 -0.92 0.54 0.00 0.23 0.00 0.00 176.35 176.78 3f7n n ALA 90 N 5.13 1.13 -1.77 4.21 0.00 -1.26 -4.86 120.51 123.09 3f7n n ALA 90 Ca 0.16 -0.54 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 3f7n n ALA 90 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 3f7n n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3f7n s LYS 91 N -0.20 3.99 0.23 0.00 1.02 -1.26 -4.90 119.74 118.63 3f7n s LYS 91 Ca 0.00 1.77 -0.13 0.00 0.02 0.00 0.00 55.97 57.63 3f7n s LYS 91 Cb 0.00 -2.58 0.29 0.00 -0.52 0.00 0.00 37.83 35.02 3f7n s LYS 91 CO 0.00 -0.36 1.59 0.87 -0.92 0.00 0.00 175.35 176.54 3f7n h LYS 92 N 2.45 -0.03 -0.39 1.68 1.57 -1.99 -1.12 116.57 118.75 3f7n h LYS 92 Ca -0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3f7n h LYS 92 Cb 1.23 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 3f7n h LYS 92 CO 0.62 -0.02 0.23 1.05 -0.57 0.00 0.00 179.45 180.76 3f7n h GLU 93 N -0.03 0.52 -0.26 3.15 4.11 -1.99 -0.61 114.58 119.46 3f7n h GLU 93 Ca 0.35 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.62 3f7n h GLU 93 Cb 0.58 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 3f7n h GLU 93 CO -0.81 0.37 -0.33 -0.91 0.07 0.00 0.00 179.01 177.40 3f7n h ASN 94 N 0.53 0.74 -0.32 3.06 2.35 -1.61 -1.64 115.58 118.70 3f7n h ASN 94 Ca 0.14 -0.50 -0.04 0.00 -0.55 0.00 0.00 56.30 55.35 3f7n h ASN 94 Cb -0.02 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 3f7n h ASN 94 CO -0.03 1.09 0.04 0.40 -1.65 0.00 0.00 177.43 177.28 3f7n h ILE 95 N 0.41 1.24 -0.51 2.81 2.04 -0.95 -1.64 117.51 120.91 3f7n h ILE 95 Ca 0.03 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 3f7n h ILE 95 Cb 0.91 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3f7n h ILE 95 CO 0.08 0.28 0.12 0.40 0.00 0.00 0.00 178.15 179.03 3f7n h ILE 96 N 0.35 1.24 -0.67 -0.67 2.04 -1.17 -2.41 117.51 116.22 3f7n h ILE 96 Ca 0.09 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 65.13 3f7n h ILE 96 Cb 0.37 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3f7n h ILE 96 CO 0.01 0.31 0.39 0.00 0.00 0.00 0.00 178.15 178.87 3f7n h ALA 97 N 1.00 0.89 -0.22 1.87 0.00 -1.05 -1.08 119.26 120.66 3f7n h ALA 97 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3f7n h ALA 97 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3f7n h ALA 97 CO 0.00 0.11 0.05 0.00 0.00 0.00 0.00 179.25 179.41 3f7n h ALA 98 N 1.32 0.29 -0.20 0.00 0.00 -1.28 -0.57 119.26 118.82 3f7n h ALA 98 Ca 0.29 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3f7n h ALA 98 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3f7n h ALA 98 CO -0.15 -0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.15 3f7n h ALA 99 N 0.86 0.24 0.00 0.00 0.00 -1.17 -1.04 119.26 118.15 3f7n h ALA 99 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3f7n h ALA 99 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3f7n h ALA 99 CO 0.00 -0.31 -0.20 1.96 0.00 0.00 0.00 179.25 180.70 3f7n h GLN 100 N 0.22 0.00 -0.00 0.00 4.20 -1.11 -0.87 115.11 117.55 3f7n h GLN 100 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3f7n h GLN 100 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3f7n h GLN 100 CO -0.05 0.20 -0.03 0.00 -0.67 0.00 0.00 178.83 178.27 3f7n n ALA 101 N -2.28 2.50 0.00 3.87 0.00 -0.23 -4.92 120.51 119.44 3f7n n ALA 101 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3f7n n ALA 101 Cb 0.34 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3f7n n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f7n n GLY 102 N 1.38 1.35 3.71 0.00 0.00 -0.33 -4.54 105.19 106.76 3f7n n GLY 102 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3f7n n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f7n n ALA 103 N -1.09 1.47 0.21 4.61 0.00 -0.43 -4.83 120.51 120.45 3f7n n ALA 103 Ca 0.00 0.34 0.11 0.00 0.00 0.00 0.00 53.44 53.89 3f7n n ALA 103 Cb 0.00 -2.28 0.15 0.00 0.00 0.00 0.00 19.45 17.31 3f7n n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3f7n h SER 104 N 2.53 0.00 -5.36 0.00 0.02 -1.18 -3.44 113.55 106.11 3f7n h SER 104 Ca -0.47 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 60.75 3f7n h SER 104 Cb 1.28 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.69 3f7n h SER 104 CO 0.62 0.06 0.73 -0.83 -1.14 0.00 0.00 176.83 176.27 3f7n s GLY 105 N -4.25 -0.36 -0.07 -3.77 0.00 -1.22 -4.84 107.32 92.81 3f7n s GLY 105 Ca 0.06 0.73 -0.03 0.00 0.00 0.00 0.00 44.72 45.49 3f7n s GLY 105 CO 0.68 0.17 0.14 -0.47 0.00 0.00 0.00 173.10 173.63 3f7n s TYR 106 N -2.65 -0.16 -0.11 1.90 5.04 -1.26 -1.71 117.35 118.40 3f7n s TYR 106 Ca 0.12 0.48 0.03 0.00 -2.44 0.00 0.00 57.07 55.26 3f7n s TYR 106 Cb 0.02 -0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.24 3f7n s TYR 106 CO -0.03 -0.17 -0.19 0.08 -1.34 0.00 0.00 175.55 173.90 3f7n s VAL 107 N 1.24 1.72 -0.14 3.14 1.01 0.17 -4.97 120.40 122.57 3f7n s VAL 107 Ca -0.08 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 3f7n s VAL 107 Cb -0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3f7n s VAL 107 CO -0.06 0.48 0.64 -0.69 0.00 0.00 0.00 175.10 175.47 3f7n s VAL 108 N 0.72 5.05 0.38 2.92 1.01 -1.26 -1.10 120.40 128.12 3f7n s VAL 108 Ca -0.11 1.25 -0.24 0.00 0.00 0.00 0.00 61.98 62.88 3f7n s VAL 108 Cb -0.16 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 3f7n s VAL 108 CO 0.02 0.19 0.97 -0.54 0.00 0.00 0.00 175.10 175.74 3f7n s LYS 109 N 1.31 4.37 0.43 2.72 1.02 -0.13 -3.70 119.74 125.76 3f7n s LYS 109 Ca 0.32 1.29 -0.23 0.00 0.02 0.00 0.00 55.97 57.37 3f7n s LYS 109 Cb -0.16 -2.53 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 3f7n s LYS 109 CO 0.13 0.09 1.06 -1.25 -0.92 0.00 0.00 175.35 174.46 3f7n s PRO 110 N -2.54 4.02 0.15 -1.68 0.04 -1.26 -4.64 135.00 129.09 3f7n s PRO 110 Ca 0.56 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.17 3f7n s PRO 110 Cb -0.16 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 3f7n s PRO 110 CO 0.21 -0.27 -0.15 -0.59 0.04 0.00 0.00 177.00 176.24 3f7n s PHE 111 N -1.73 1.58 0.46 0.56 -0.12 -1.24 -5.15 117.98 112.33 3f7n s PHE 111 Ca 0.61 -0.55 -0.02 0.00 -0.05 0.00 0.00 56.93 56.92 3f7n s PHE 111 Cb -0.21 -0.79 -0.02 0.00 -0.63 0.00 0.00 43.02 41.37 3f7n s PHE 111 CO 0.26 0.24 0.72 0.95 -0.05 0.00 0.00 175.22 177.34 3f7n s THR 112 N -2.37 4.51 0.23 -4.49 -4.23 -1.26 -4.99 115.64 103.05 3f7n s THR 112 Ca 0.14 -0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.42 3f7n s THR 112 Cb -0.04 -3.70 0.19 0.00 1.34 0.00 0.00 72.50 70.30 3f7n s THR 112 CO 0.05 -0.58 1.76 0.00 -0.54 0.00 0.00 174.62 175.31 3f7n h ALA 113 N 0.33 1.01 -0.30 3.99 0.00 -2.01 -2.12 119.26 120.17 3f7n h ALA 113 Ca -0.47 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3f7n h ALA 113 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3f7n h ALA 113 CO 0.60 -0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.91 3f7n h ALA 114 N 1.47 0.39 -0.31 0.00 0.00 -1.99 -1.95 119.26 116.87 3f7n h ALA 114 Ca 0.37 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.27 3f7n h ALA 114 Cb 0.47 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3f7n h ALA 114 CO -0.32 -0.09 0.03 1.15 0.00 0.00 0.00 179.25 180.03 3f7n h THR 115 N 0.38 0.81 -0.56 0.00 2.02 -1.84 -0.80 112.91 112.91 3f7n h THR 115 Ca 0.11 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.25 3f7n h THR 115 Cb 0.05 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3f7n h THR 115 CO -0.02 0.02 0.37 0.25 0.37 0.00 0.00 175.52 176.52 3f7n h LEU 116 N 0.13 0.65 -0.79 2.58 5.85 -1.18 0.74 115.31 123.29 3f7n h LEU 116 Ca 0.15 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3f7n h LEU 116 Cb 0.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3f7n h LEU 116 CO -0.22 0.47 0.42 -0.08 -0.34 0.00 0.00 178.44 178.69 3f7n h GLU 117 N 0.76 1.11 -0.38 1.25 4.81 -1.04 -0.34 114.58 120.75 3f7n h GLU 117 Ca 0.21 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3f7n h GLU 117 Cb -0.09 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 3f7n h GLU 117 CO -0.04 0.83 0.03 0.93 -0.73 0.00 0.00 179.01 180.03 3f7n h GLU 118 N 1.10 0.65 -0.33 1.92 5.08 -0.70 -1.92 114.58 120.38 3f7n h GLU 118 Ca 0.28 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3f7n h GLU 118 Cb 0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3f7n h GLU 118 CO -0.04 0.73 0.15 0.87 -1.00 0.00 0.00 179.01 179.72 3f7n h LYS 119 N 0.48 0.49 -0.27 2.33 1.79 -0.59 -0.31 116.57 120.49 3f7n h LYS 119 Ca 0.11 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 3f7n h LYS 119 Cb 0.42 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3f7n h LYS 119 CO 0.01 0.47 0.14 -0.07 -1.08 0.00 0.00 179.45 178.92 3f7n h LEU 120 N 0.40 0.35 -1.05 2.94 3.38 -1.09 -2.76 115.31 117.47 3f7n h LEU 120 Ca 0.11 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3f7n h LEU 120 Cb 0.15 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3f7n h LEU 120 CO -0.01 0.35 0.25 0.78 0.09 0.00 0.00 178.44 179.90 3f7n h ASN 121 N 0.32 0.85 -0.98 -0.43 2.35 -1.18 -0.17 115.58 116.33 3f7n h ASN 121 Ca 0.10 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3f7n h ASN 121 Cb 0.09 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 3f7n h ASN 121 CO -0.01 0.76 0.65 0.50 -1.65 0.00 0.00 177.43 177.68 3f7n h LYS 122 N 0.91 1.25 -0.02 0.81 3.64 -0.91 -1.25 116.57 121.01 3f7n h LYS 122 Ca 0.21 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3f7n h LYS 122 Cb 0.18 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3f7n h LYS 122 CO -0.02 0.83 -0.04 0.82 -2.27 0.00 0.00 179.45 178.77 3f7n h ILE 123 N 1.29 1.46 -0.55 2.00 2.04 -1.14 -1.21 117.51 121.41 3f7n h ILE 123 Ca 0.37 -1.43 0.11 0.00 1.00 0.00 0.00 64.86 64.92 3f7n h ILE 123 Cb -0.08 2.39 -0.10 0.00 -0.74 0.00 0.00 36.82 38.29 3f7n h ILE 123 CO -0.10 0.38 -0.07 -0.26 0.00 0.00 0.00 178.15 178.10 3f7n h PHE 124 N -0.51 -0.16 -0.14 1.37 0.04 -0.92 0.44 116.94 117.06 3f7n h PHE 124 Ca -0.00 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3f7n h PHE 124 Cb 0.64 0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 3f7n h PHE 124 CO 0.13 -0.19 0.05 0.93 -0.60 0.00 0.00 178.31 178.63 3f7n h GLU 125 N 0.05 0.20 -0.51 1.51 4.39 -1.22 0.25 114.58 119.26 3f7n h GLU 125 Ca 0.28 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.98 3f7n h GLU 125 Cb 0.43 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 3f7n h GLU 125 CO -0.52 0.31 0.34 -0.22 -1.16 0.00 0.00 179.01 177.76 3f7n h LYS 126 N 0.06 0.52 -0.71 2.33 1.63 -0.72 -2.58 116.57 117.10 3f7n h LYS 126 Ca 0.04 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3f7n h LYS 126 Cb 0.18 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3f7n h LYS 126 CO -0.00 0.35 0.00 1.28 -3.45 0.00 0.00 179.45 177.62 3f7n n LEU 127 N -4.47 3.92 -2.18 5.20 4.77 0.10 -4.96 117.00 119.37 3f7n n LEU 127 Ca 0.06 -2.01 -0.19 0.00 -0.03 0.00 0.00 56.01 53.85 3f7n n LEU 127 Cb 0.18 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3f7n n LEU 127 CO 0.35 0.97 -0.21 0.61 -1.33 0.00 0.00 177.39 177.78 3f7n n GLY 128 N 1.57 -0.40 0.52 -0.72 0.00 -0.39 -5.03 105.19 100.75 3f7n n GLY 128 Ca 0.24 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.31 3f7n n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35