#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2apf n LEU 0 N 0.00 0.64 0.00 9.51 -0.00 -1.26 -4.55 117.00 121.33 2apf n LEU 0 Ca 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 2apf n LEU 0 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 2apf n LEU 0 CO 0.00 -0.06 -0.46 -0.62 -0.00 0.00 0.00 177.39 176.24 2apf n GLU 1 N -2.02 3.36 -4.77 1.47 4.71 -1.26 -5.07 120.64 117.07 2apf n GLU 1 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.90 2apf n GLU 1 Cb 0.41 -0.96 -0.14 0.00 -1.01 0.00 0.00 31.44 29.74 2apf n GLU 1 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2apf s ALA 2 N -1.93 2.22 0.12 0.62 0.00 -1.26 -5.00 121.76 116.54 2apf s ALA 2 Ca 0.00 -1.29 0.23 0.00 0.00 0.00 0.00 51.96 50.90 2apf s ALA 2 Cb 0.00 -0.44 0.87 0.00 0.00 0.00 0.00 23.12 23.56 2apf s ALA 2 CO 0.00 0.52 1.81 0.00 0.00 0.00 0.00 175.76 178.09 2apf h ALA 3 N 4.60 1.01 -3.18 0.00 0.00 -1.94 -3.41 119.26 116.35 2apf h ALA 3 Ca -0.47 -0.22 -0.62 0.00 0.00 0.00 0.00 54.91 53.60 2apf h ALA 3 Cb 1.15 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.55 2apf h ALA 3 CO 0.43 0.30 -0.85 0.08 0.00 0.00 0.00 179.25 179.21 2apf s VAL 4 N -3.63 1.72 -0.13 0.00 1.01 -1.26 -2.17 120.40 115.95 2apf s VAL 4 Ca 0.01 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2apf s VAL 4 Cb 0.10 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2apf s VAL 4 CO 0.64 0.48 -0.22 -0.89 0.00 0.00 0.00 175.10 175.11 2apf s THR 5 N 1.16 2.12 -0.11 3.92 2.01 0.74 -4.52 115.64 120.96 2apf s THR 5 Ca -0.01 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 60.97 2apf s THR 5 Cb -0.14 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2apf s THR 5 CO -0.06 0.55 0.07 -1.10 -0.69 0.00 0.00 174.62 173.39 2apf s GLN 6 N 0.63 3.25 -0.11 4.92 -0.21 -1.26 -0.69 119.66 126.19 2apf s GLN 6 Ca -0.11 -0.27 -0.11 0.00 0.02 0.00 0.00 55.36 54.88 2apf s GLN 6 Cb -0.16 -3.01 0.03 0.00 1.00 0.00 0.00 33.01 30.87 2apf s GLN 6 CO 0.02 0.72 0.32 -1.54 -2.12 0.00 0.00 175.29 172.69 2apf s SER 7 N -0.90 -0.32 0.95 5.90 1.04 -0.53 -4.29 113.70 115.55 2apf s SER 7 Ca 0.14 0.60 -0.14 0.00 0.48 0.00 0.00 55.95 57.02 2apf s SER 7 Cb -0.12 0.63 0.16 0.00 0.10 0.00 0.00 66.02 66.79 2apf s SER 7 CO 0.03 -0.14 1.18 -2.16 0.98 0.00 0.00 173.24 173.14 2apf s PRO 8 N 0.06 0.82 0.31 4.02 0.05 -1.26 -0.41 135.00 138.59 2apf s PRO 8 Ca -0.01 0.04 0.17 0.00 0.05 0.00 0.00 61.00 61.25 2apf s PRO 8 Cb -0.02 -1.82 0.15 0.00 0.05 0.00 0.00 34.50 32.85 2apf s PRO 8 CO 0.01 -2.36 1.49 0.00 0.05 0.00 0.00 177.00 176.18 2apf h ARG 9 N -1.61 0.00 -4.80 4.56 2.47 -1.82 -3.43 114.38 109.75 2apf h ARG 9 Ca -0.48 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 57.93 2apf h ARG 9 Cb 1.30 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.41 2apf h ARG 9 CO 0.53 0.41 -0.75 -0.80 0.56 0.00 0.00 179.97 179.92 2apf s ASN 10 N -6.41 1.11 -0.17 7.04 0.01 -1.26 -0.79 114.94 114.47 2apf s ASN 10 Ca 0.04 -0.56 -0.08 0.00 -0.71 0.00 0.00 52.86 51.55 2apf s ASN 10 Cb 0.07 0.01 0.07 0.00 0.41 0.00 0.00 41.25 41.81 2apf s ASN 10 CO 0.73 -0.16 0.38 -0.75 -1.51 0.00 0.00 177.10 175.79 2apf s LYS 11 N -1.61 0.34 -0.20 -0.60 2.47 0.27 -4.91 119.74 115.50 2apf s LYS 11 Ca -0.07 0.82 -0.03 0.00 -1.56 0.00 0.00 55.97 55.12 2apf s LYS 11 Cb -0.10 0.05 -0.01 0.00 -1.46 0.00 0.00 37.83 36.31 2apf s LYS 11 CO 0.01 -0.19 -0.07 0.08 0.16 0.00 0.00 175.35 175.34 2apf s VAL 12 N 1.75 3.25 0.16 4.02 1.01 -1.26 -1.10 120.40 128.23 2apf s VAL 12 Ca -0.07 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 61.48 2apf s VAL 12 Cb -0.10 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2apf s VAL 12 CO -0.12 0.45 -0.23 0.00 0.00 0.00 0.00 175.10 175.20 2apf s ALA 13 N 1.26 2.53 -0.11 5.51 0.00 0.33 -5.00 121.76 126.28 2apf s ALA 13 Ca 0.03 -1.55 -0.10 0.00 0.00 0.00 0.00 51.96 50.34 2apf s ALA 13 Cb -0.14 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2apf s ALA 13 CO -0.03 0.48 0.23 0.08 0.00 0.00 0.00 175.76 176.53 2apf s VAL 14 N -1.43 5.35 0.01 0.00 1.01 -1.26 0.01 120.40 124.09 2apf s VAL 14 Ca 0.19 0.42 -0.36 0.00 0.00 0.00 0.00 61.98 62.23 2apf s VAL 14 Cb -0.09 -3.52 -0.18 0.00 0.00 0.00 0.00 36.38 32.59 2apf s VAL 14 CO 0.09 0.55 0.95 0.41 0.00 0.00 0.00 175.10 177.10 2apf n THR 15 N 2.38 0.09 0.00 3.92 -1.04 0.72 -0.97 114.28 119.37 2apf n THR 15 Ca -0.17 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2apf n THR 15 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 2apf n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2apf n GLY 16 N 1.39 2.92 3.78 3.41 0.00 0.52 -4.91 105.19 112.31 2apf n GLY 16 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2apf n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2apf s GLU 17 N -0.82 3.93 0.10 1.61 2.02 -0.14 -4.39 118.70 121.01 2apf s GLU 17 Ca 0.00 1.60 -0.30 0.00 0.02 0.00 0.00 54.97 56.29 2apf s GLU 17 Cb 0.00 -2.41 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 2apf s GLU 17 CO 0.00 -0.37 1.09 0.21 0.02 0.00 0.00 175.26 176.21 2apf s LYS 18 N -2.70 4.56 -0.06 1.61 2.20 -1.24 -0.84 119.74 123.26 2apf s LYS 18 Ca 0.62 1.64 0.04 0.00 -0.36 0.00 0.00 55.97 57.90 2apf s LYS 18 Cb -0.24 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 2apf s LYS 18 CO 0.29 -0.02 -0.17 0.08 -0.36 0.00 0.00 175.35 175.18 2apf s VAL 19 N 0.38 1.44 -0.12 4.02 1.01 0.17 -4.98 120.40 122.32 2apf s VAL 19 Ca 0.52 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2apf s VAL 19 Cb -0.27 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.86 2apf s VAL 19 CO 0.31 0.42 -0.21 -0.89 0.00 0.00 0.00 175.10 174.73 2apf s THR 20 N 0.29 1.94 -0.11 3.92 2.01 -1.26 0.31 115.64 122.73 2apf s THR 20 Ca -0.10 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 2apf s THR 20 Cb -0.14 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2apf s THR 20 CO 0.04 0.53 0.00 -0.76 -0.69 0.00 0.00 174.62 173.74 2apf s LEU 21 N 0.68 3.55 -0.18 4.42 1.43 0.71 -4.76 118.68 124.53 2apf s LEU 21 Ca -0.11 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 2apf s LEU 21 Cb -0.16 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 2apf s LEU 21 CO 0.02 0.31 0.14 -0.55 0.23 0.00 0.00 176.35 176.50 2apf s SER 22 N -0.47 6.25 -0.21 2.29 0.15 0.45 -1.28 113.70 120.88 2apf s SER 22 Ca 0.08 0.28 -0.00 0.00 0.70 0.00 0.00 55.95 57.01 2apf s SER 22 Cb -0.12 -2.09 0.02 0.00 -1.71 0.00 0.00 66.02 62.12 2apf s SER 22 CO 0.02 0.22 -0.13 0.00 1.20 0.00 0.00 173.24 174.55 2apf s GLN 24 N 1.32 2.99 0.00 0.00 0.74 0.14 -1.21 119.66 123.64 2apf s GLN 24 Ca 0.03 -0.84 0.07 0.00 0.05 0.00 0.00 55.36 54.67 2apf s GLN 24 Cb -0.15 -2.43 -0.02 0.00 1.10 0.00 0.00 33.01 31.51 2apf s GLN 24 CO -0.08 -0.04 -0.21 1.14 -0.55 0.00 0.00 175.29 175.55 2apf s GLN 25 N 0.89 1.58 -0.08 1.67 1.03 -0.09 -0.18 119.66 124.48 2apf s GLN 25 Ca -0.05 -0.80 0.15 0.00 0.04 0.00 0.00 55.36 54.69 2apf s GLN 25 Cb -0.15 -1.58 0.48 0.00 0.03 0.00 0.00 33.01 31.79 2apf s GLN 25 CO -0.03 0.42 1.40 0.25 -2.54 0.00 0.00 175.29 174.79 2apf n THR 26 N 2.34 1.55 -0.57 3.63 -2.24 -0.92 -4.38 114.28 113.68 2apf n THR 26 Ca -0.16 -1.29 0.10 0.00 -2.27 0.00 0.00 64.05 60.43 2apf n THR 26 Cb 0.53 0.20 0.34 0.00 -2.10 0.00 0.00 70.33 69.31 2apf n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2apf n ASN 27 N 0.42 4.54 -1.90 3.42 4.13 -1.26 -4.93 115.26 119.67 2apf n ASN 27 Ca 0.18 -2.36 -0.21 0.00 1.68 0.00 0.00 54.58 53.88 2apf n ASN 27 Cb 0.67 -0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 38.31 2apf n ASN 27 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2apf n ASN 28 N 1.18 -5.64 -4.76 6.41 5.15 -1.26 -4.94 115.26 111.39 2apf n ASN 28 Ca 0.25 0.29 -0.41 0.00 -0.60 0.00 0.00 54.58 54.11 2apf n ASN 28 Cb 0.83 -4.83 -0.01 0.00 -0.53 0.00 0.00 39.78 35.23 2apf n ASN 28 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2apf n HIS 29 N -3.08 2.90 -0.02 1.20 8.25 -1.26 -4.93 115.22 118.29 2apf n HIS 29 Ca -0.22 0.34 -0.16 0.00 -0.26 0.00 0.00 57.72 57.42 2apf n HIS 29 Cb 0.68 -2.57 -0.12 0.00 1.12 0.00 0.00 29.99 29.11 2apf n HIS 29 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2apf h ASN 30 N 4.00 0.28 -3.18 0.41 4.21 -1.88 -3.46 115.58 115.94 2apf h ASN 30 Ca -0.48 -0.79 -0.59 0.00 1.21 0.00 0.00 56.30 55.64 2apf h ASN 30 Cb 1.23 -0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 38.29 2apf h ASN 30 CO 0.73 1.03 -0.13 0.20 -1.29 0.00 0.00 177.43 177.97 2apf s ASN 31 N -6.41 6.85 0.10 5.81 0.02 -0.46 -2.89 114.94 117.95 2apf s ASN 31 Ca -0.15 1.01 0.05 0.00 -1.02 0.00 0.00 52.86 52.74 2apf s ASN 31 Cb 0.01 -2.29 -0.04 0.00 0.02 0.00 0.00 41.25 38.95 2apf s ASN 31 CO 0.76 0.20 -0.12 -0.04 0.02 0.00 0.00 177.10 177.92 2apf s MET 32 N -0.53 0.90 0.02 -0.60 -1.94 -0.09 -1.78 119.30 115.28 2apf s MET 32 Ca 0.26 -1.17 -0.02 0.00 -1.71 0.00 0.00 55.69 53.06 2apf s MET 32 Cb -0.17 -0.69 -0.01 0.00 2.01 0.00 0.00 34.83 35.97 2apf s MET 32 CO 0.14 0.12 0.01 0.71 -0.01 0.00 0.00 175.02 175.99 2apf s TYR 33 N -2.22 0.20 -0.09 -0.03 1.51 -0.20 -0.86 117.35 115.66 2apf s TYR 33 Ca 0.06 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2apf s TYR 33 Cb -0.04 -0.15 0.01 0.00 -0.11 0.00 0.00 41.96 41.67 2apf s TYR 33 CO 0.01 -0.21 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.54 2apf s TRP 34 N -1.41 1.65 0.09 2.71 0.52 -0.48 -1.71 118.94 120.31 2apf s TRP 34 Ca -0.15 -0.69 0.10 0.00 0.02 0.00 0.00 56.10 55.37 2apf s TRP 34 Cb -0.09 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.97 2apf s TRP 34 CO -0.00 -0.37 -0.24 0.71 0.02 0.00 0.00 176.95 177.06 2apf s TYR 35 N 0.88 2.38 -0.15 -1.98 1.51 0.66 -0.34 117.35 120.30 2apf s TYR 35 Ca -0.10 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.54 2apf s TYR 35 Cb -0.15 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 2apf s TYR 35 CO 0.01 0.26 0.07 0.50 -1.11 0.00 0.00 175.55 175.28 2apf s ARG 36 N -1.72 3.68 0.01 -0.62 3.52 -0.20 -0.89 118.95 122.73 2apf s ARG 36 Ca 0.14 -0.30 -0.21 0.00 -0.13 0.00 0.00 55.73 55.23 2apf s ARG 36 Cb -0.10 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.09 2apf s ARG 36 CO 0.05 0.47 0.63 -1.14 -0.81 0.00 0.00 175.30 174.51 2apf s GLN 37 N -0.20 4.35 0.62 5.12 0.74 0.14 -0.50 119.66 129.94 2apf s GLN 37 Ca 0.08 0.81 0.04 0.00 0.05 0.00 0.00 55.36 56.33 2apf s GLN 37 Cb -0.12 -3.34 0.09 0.00 1.10 0.00 0.00 33.01 30.74 2apf s GLN 37 CO 0.01 0.36 0.86 0.16 -0.55 0.00 0.00 175.29 176.13 2apf s ASP 38 N -0.18 4.85 0.26 6.67 1.47 0.10 -4.37 116.67 125.47 2apf s ASP 38 Ca 0.33 -0.46 0.23 0.00 1.18 0.00 0.00 52.55 53.83 2apf s ASP 38 Cb -0.19 -0.12 1.00 0.00 -0.34 0.00 0.00 42.92 43.27 2apf s ASP 38 CO 0.18 -1.49 1.70 0.35 0.68 0.00 0.00 175.17 176.60 2apf n THR 39 N -2.48 0.86 0.08 2.11 -2.24 -1.26 -0.42 114.28 110.92 2apf n THR 39 Ca 0.13 0.30 0.09 0.00 -2.27 0.00 0.00 64.05 62.30 2apf n THR 39 Cb 0.61 -1.24 0.26 0.00 -2.10 0.00 0.00 70.33 67.86 2apf n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2apf n GLY 40 N -0.17 1.83 2.31 3.38 0.00 -1.26 -4.91 105.19 106.36 2apf n GLY 40 Ca 0.02 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 2apf n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2apf n HIS 41 N 1.12 -0.01 -2.60 1.61 8.25 0.43 -5.01 115.22 119.00 2apf n HIS 41 Ca 0.20 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.30 2apf n HIS 41 Cb 0.55 -2.05 -0.05 0.00 1.12 0.00 0.00 29.99 29.56 2apf n HIS 41 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2apf s GLY 42 N -2.88 2.67 -0.29 -1.41 0.00 -1.26 -4.76 107.32 99.39 2apf s GLY 42 Ca 0.00 0.63 -0.08 0.00 0.00 0.00 0.00 44.72 45.26 2apf s GLY 42 CO 0.00 1.02 0.12 1.08 0.00 0.00 0.00 173.10 175.32 2apf s LEU 43 N -2.77 3.88 -0.21 0.66 1.43 -1.26 0.02 118.68 120.43 2apf s LEU 43 Ca 0.59 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 2apf s LEU 43 Cb -0.19 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2apf s LEU 43 CO 0.24 -0.15 0.04 -0.13 0.23 0.00 0.00 176.35 176.59 2apf s ARG 44 N 1.59 3.74 -0.11 1.70 1.81 0.35 -4.92 118.95 123.11 2apf s ARG 44 Ca 0.05 -0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 53.31 2apf s ARG 44 Cb -0.17 -3.20 -0.02 0.00 -0.45 0.00 0.00 34.95 31.11 2apf s ARG 44 CO 0.05 0.03 1.17 -1.17 -0.68 0.00 0.00 175.30 174.69 2apf s LEU 45 N 1.02 4.23 -0.17 2.53 2.96 -1.26 -1.03 118.68 126.95 2apf s LEU 45 Ca 0.03 1.69 -0.13 0.00 -0.22 0.00 0.00 54.13 55.50 2apf s LEU 45 Cb -0.14 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.94 2apf s LEU 45 CO 0.03 -0.62 -0.20 -0.38 -1.32 0.00 0.00 176.35 173.85 2apf n ILE 46 N 4.89 1.46 -3.74 6.68 5.41 0.54 -0.64 119.36 133.95 2apf n ILE 46 Ca 0.12 0.14 -0.11 0.00 1.00 0.00 0.00 62.75 63.90 2apf n ILE 46 Cb 0.46 -2.32 -0.07 0.00 -0.71 0.00 0.00 39.64 37.00 2apf n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2apf s HIS 47 N -2.46 -0.09 0.34 1.39 3.76 -1.22 -0.81 115.29 116.19 2apf s HIS 47 Ca -0.21 -0.13 0.03 0.00 -0.15 0.00 0.00 55.06 54.60 2apf s HIS 47 Cb 0.04 0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.82 2apf s HIS 47 CO 0.33 -0.56 0.37 1.52 -0.85 0.00 0.00 174.74 175.55 2apf s TYR 48 N -3.04 1.45 -0.17 1.40 1.13 -0.17 -1.39 117.35 116.56 2apf s TYR 48 Ca -0.02 -1.50 -0.14 0.00 -1.41 0.00 0.00 57.07 54.00 2apf s TYR 48 Cb 0.01 -0.42 0.05 0.00 -1.10 0.00 0.00 41.96 40.49 2apf s TYR 48 CO -0.06 -1.00 0.43 0.45 -2.51 0.00 0.00 175.55 172.86 2apf s SER 49 N -3.31 -0.48 0.00 -0.18 0.15 -0.04 0.55 113.70 110.39 2apf s SER 49 Ca 0.36 0.89 0.24 0.00 0.70 0.00 0.00 55.95 58.14 2apf s SER 49 Cb 0.01 0.87 0.28 0.00 -1.71 0.00 0.00 66.02 65.47 2apf s SER 49 CO 0.24 -0.16 1.26 -1.22 1.20 0.00 0.00 173.24 174.56 2apf n TYR 50 N 3.19 0.00 0.00 3.44 4.01 -1.26 -0.92 117.16 125.62 2apf n TYR 50 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2apf n TYR 50 Cb 0.57 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 2apf n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2apf n GLY 51 N 1.41 0.63 3.58 2.72 0.00 -1.14 -4.50 105.19 107.88 2apf n GLY 51 Ca 0.09 -1.12 -0.51 0.00 0.00 0.00 0.00 46.02 44.48 2apf n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2apf n VAL 52 N -0.77 0.42 -0.01 1.61 0.31 -1.26 -1.20 118.33 117.42 2apf n VAL 52 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2apf n VAL 52 Cb 0.00 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 2apf n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2apf n GLY 53 N 2.25 2.50 3.62 2.92 0.00 0.05 -5.03 105.19 111.50 2apf n GLY 53 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2apf n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2apf s ASN 54 N -3.67 5.11 0.02 1.61 3.84 -0.34 -4.91 114.94 116.59 2apf s ASN 54 Ca 0.00 0.05 0.02 0.00 0.21 0.00 0.00 52.86 53.14 2apf s ASN 54 Cb 0.00 -1.58 -0.01 0.00 -0.55 0.00 0.00 41.25 39.11 2apf s ASN 54 CO 0.00 0.30 -0.06 0.42 -2.79 0.00 0.00 177.10 174.97 2apf s THR 55 N -0.42 0.47 0.03 -5.21 -4.23 -1.26 -4.43 115.64 100.58 2apf s THR 55 Ca 0.08 -0.59 0.05 0.00 -1.18 0.00 0.00 61.69 60.04 2apf s THR 55 Cb -0.12 -0.46 -0.02 0.00 1.34 0.00 0.00 72.50 73.24 2apf s THR 55 CO 0.02 -0.10 -0.14 -1.61 -0.54 0.00 0.00 174.62 172.25 2apf s GLU 56 N -0.75 0.94 0.19 3.99 0.41 0.19 -4.98 118.70 118.70 2apf s GLU 56 Ca -0.03 -0.72 -0.25 0.00 -0.41 0.00 0.00 54.97 53.56 2apf s GLU 56 Cb -0.05 -0.95 -0.08 0.00 -1.78 0.00 0.00 34.13 31.27 2apf s GLU 56 CO 0.00 0.24 0.80 0.15 -0.49 0.00 0.00 175.26 175.96 2apf s LYS 57 N -1.04 4.56 0.00 1.61 1.02 -1.26 -1.00 119.74 123.63 2apf s LYS 57 Ca 0.02 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.18 2apf s LYS 57 Cb -0.08 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 2apf s LYS 57 CO 0.01 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 2apf n GLY 58 N 1.39 1.62 0.08 -3.33 0.00 0.01 -4.85 105.19 100.11 2apf n GLY 58 Ca -0.04 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 2apf n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2apf h ASP 59 N 0.00 0.10 -2.00 1.61 3.32 -1.08 -3.39 116.42 114.97 2apf h ASP 59 Ca 0.00 -0.12 -0.55 0.00 0.02 0.00 0.00 57.03 56.37 2apf h ASP 59 Cb 0.00 -0.03 -0.41 0.00 0.22 0.00 0.00 39.33 39.10 2apf h ASP 59 CO 0.00 1.10 -0.80 2.30 -1.72 0.00 0.00 179.24 180.12 2apf n ILE 60 N -3.30 2.20 0.18 0.35 -5.35 -0.80 -4.91 119.36 107.73 2apf n ILE 60 Ca -0.08 -5.11 0.04 0.00 -0.27 0.00 0.00 62.75 57.33 2apf n ILE 60 Cb 0.99 -1.03 0.35 0.00 -1.74 0.00 0.00 39.64 38.22 2apf n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2apf h PRO 61 N 2.91 0.00 -6.44 6.28 0.13 -1.77 -3.43 132.00 129.69 2apf h PRO 61 Ca 0.14 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.66 2apf h PRO 61 Cb 0.71 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.91 2apf h PRO 61 CO 0.74 0.40 0.63 -0.25 -0.23 0.00 0.00 178.00 179.30 2apf n ASP 62 N -3.79 2.50 0.00 1.44 8.00 -1.26 -1.01 116.55 122.43 2apf n ASP 62 Ca -0.01 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.59 2apf n ASP 62 Cb 0.47 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 2apf n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2apf n GLY 63 N 2.88 0.48 3.11 0.44 0.00 -1.26 -5.03 105.19 105.81 2apf n GLY 63 Ca 0.16 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 2apf n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2apf s TYR 65 N -2.00 0.84 0.33 1.61 2.02 -0.18 -4.37 117.35 115.60 2apf s TYR 65 Ca 0.00 -0.56 0.05 0.00 -0.37 0.00 0.00 57.07 56.20 2apf s TYR 65 Cb 0.00 -0.49 -0.07 0.00 -0.40 0.00 0.00 41.96 41.01 2apf s TYR 65 CO 0.00 -0.06 0.01 -1.21 -1.57 0.00 0.00 175.55 172.73 2apf s GLU 66 N -2.00 1.69 0.11 -0.62 8.01 -0.09 -4.96 118.70 120.84 2apf s GLU 66 Ca -0.04 -1.92 0.03 0.00 0.01 0.00 0.00 54.97 53.05 2apf s GLU 66 Cb -0.07 -1.11 -0.04 0.00 -4.31 0.00 0.00 34.13 28.59 2apf s GLU 66 CO 0.00 -0.09 -0.08 0.00 0.01 0.00 0.00 175.26 175.10 2apf s ALA 67 N -3.09 1.14 -0.12 5.21 0.00 -1.26 -0.70 121.76 122.94 2apf s ALA 67 Ca 0.34 -1.36 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 2apf s ALA 67 Cb 0.07 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.35 2apf s ALA 67 CO 0.15 -0.16 0.28 0.45 0.00 0.00 0.00 175.76 176.47 2apf s SER 68 N -2.97 -0.28 -0.77 0.00 0.15 -0.35 -4.95 113.70 104.53 2apf s SER 68 Ca 0.12 0.59 0.03 0.00 0.70 0.00 0.00 55.95 57.39 2apf s SER 68 Cb 0.03 0.49 0.21 0.00 -1.71 0.00 0.00 66.02 65.04 2apf s SER 68 CO -0.02 -0.17 0.70 -1.14 1.20 0.00 0.00 173.24 173.80 2apf n ARG 69 N 4.29 2.39 0.16 5.44 3.00 -1.26 -0.38 116.66 130.31 2apf n ARG 69 Ca -0.24 -4.54 0.13 0.00 -0.00 0.00 0.00 57.85 53.20 2apf n ARG 69 Cb 0.53 -2.33 0.34 0.00 0.00 0.00 0.00 32.46 31.00 2apf n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2apf h PRO 70 N 5.26 0.00 -3.94 -0.14 0.13 -1.96 0.17 132.00 131.52 2apf h PRO 70 Ca 0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.17 2apf h PRO 70 Cb 0.74 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.76 2apf h PRO 70 CO 0.82 0.00 -0.24 -1.54 -0.23 0.00 0.00 178.00 176.81 2apf s SER 71 N -5.17 0.11 0.31 1.44 1.04 -1.26 -4.81 113.70 105.36 2apf s SER 71 Ca 0.09 -1.12 -0.00 0.00 0.48 0.00 0.00 55.95 55.39 2apf s SER 71 Cb 0.09 0.55 0.51 0.00 0.10 0.00 0.00 66.02 67.28 2apf s SER 71 CO 0.61 -1.10 1.97 -0.61 0.98 0.00 0.00 173.24 175.10 2apf h GLN 72 N 2.32 1.00 0.03 4.02 5.75 -1.95 -3.17 115.11 123.11 2apf h GLN 72 Ca -0.29 -0.06 -0.22 0.00 -0.15 0.00 0.00 58.65 57.94 2apf h GLN 72 Cb 1.25 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 2apf h GLN 72 CO 0.40 0.66 -1.00 0.93 -2.65 0.00 0.00 178.83 177.17 2apf h GLU 73 N 1.03 0.11 -5.19 1.69 3.07 -1.92 -3.45 114.58 109.93 2apf h GLU 73 Ca 0.30 -0.16 -0.65 0.00 -0.50 0.00 0.00 59.36 58.35 2apf h GLU 73 Cb -0.07 0.06 -0.24 0.00 -0.84 0.00 0.00 28.75 27.66 2apf h GLU 73 CO -0.07 1.01 -0.69 -1.14 -1.40 0.00 0.00 179.01 176.72 2apf s GLN 74 N -2.88 3.55 -0.22 2.33 2.00 -1.20 -0.91 119.66 122.33 2apf s GLN 74 Ca -0.01 -0.57 -0.01 0.00 -2.00 0.00 0.00 55.36 52.77 2apf s GLN 74 Cb 0.10 -2.94 0.06 0.00 0.80 0.00 0.00 33.01 31.03 2apf s GLN 74 CO 0.83 0.08 -0.01 0.12 -0.50 0.00 0.00 175.29 175.81 2apf s PHE 75 N 0.77 1.90 -0.12 1.67 5.36 -0.35 -3.70 117.98 123.50 2apf s PHE 75 Ca -0.02 -1.45 -0.06 0.00 -0.96 0.00 0.00 56.93 54.44 2apf s PHE 75 Cb -0.15 -1.40 -0.04 0.00 -0.34 0.00 0.00 43.02 41.09 2apf s PHE 75 CO 0.02 -0.72 0.10 -1.12 -1.46 0.00 0.00 175.22 172.03 2apf s SER 76 N 1.56 6.00 -0.22 6.13 0.01 0.49 -2.09 113.70 125.58 2apf s SER 76 Ca -0.03 0.33 -0.06 0.00 1.31 0.00 0.00 55.95 57.49 2apf s SER 76 Cb -0.18 -1.91 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 2apf s SER 76 CO -0.08 0.36 0.03 -0.22 0.41 0.00 0.00 173.24 173.74 2apf s LEU 77 N -0.73 3.32 -0.13 2.44 2.96 -0.40 -1.21 118.68 124.93 2apf s LEU 77 Ca 0.13 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 53.83 2apf s LEU 77 Cb -0.12 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 2apf s LEU 77 CO 0.03 0.02 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.32 2apf s ILE 78 N 1.27 3.06 -0.42 6.68 1.01 0.12 -0.20 121.20 132.72 2apf s ILE 78 Ca 0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 2apf s ILE 78 Cb -0.15 -2.28 0.10 0.00 0.01 0.00 0.00 42.46 40.14 2apf s ILE 78 CO 0.02 0.53 0.25 -0.76 0.00 0.00 0.00 174.94 174.97 2apf s LEU 79 N 0.33 5.28 0.43 2.97 1.02 0.15 -0.91 118.68 127.93 2apf s LEU 79 Ca -0.10 -1.82 0.10 0.00 0.02 0.00 0.00 54.13 52.32 2apf s LEU 79 Cb -0.16 -1.91 0.93 0.00 0.02 0.00 0.00 46.19 45.07 2apf s LEU 79 CO 0.06 -0.57 2.05 -0.08 0.02 0.00 0.00 176.35 177.82 2apf h GLU 80 N 8.25 0.35 -1.80 1.70 4.57 -1.82 0.50 114.58 126.34 2apf h GLU 80 Ca -0.18 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 57.67 2apf h GLU 80 Cb 1.06 -0.07 -0.29 0.00 -0.16 0.00 0.00 28.75 29.29 2apf h GLU 80 CO 0.75 0.28 -0.62 -1.17 -1.18 0.00 0.00 179.01 177.07 2apf s LEU 81 N -9.24 -0.40 0.45 1.64 2.96 -1.26 -3.73 118.68 109.10 2apf s LEU 81 Ca -0.07 -1.17 -0.25 0.00 -0.22 0.00 0.00 54.13 52.42 2apf s LEU 81 Cb 0.17 0.84 -0.08 0.00 0.50 0.00 0.00 46.19 47.62 2apf s LEU 81 CO 0.72 -0.28 1.36 0.00 -1.32 0.00 0.00 176.35 176.83 2apf s ALA 82 N 1.78 3.17 0.12 5.97 0.00 -0.02 -4.59 121.76 128.20 2apf s ALA 82 Ca 0.15 1.35 0.06 0.00 0.00 0.00 0.00 51.96 53.51 2apf s ALA 82 Cb -0.13 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2apf s ALA 82 CO -0.12 -1.07 -0.15 0.95 0.00 0.00 0.00 175.76 175.37 2apf s THR 83 N -1.25 1.36 0.56 0.00 -4.23 -1.26 -0.35 115.64 110.47 2apf s THR 83 Ca 0.61 -1.68 0.25 0.00 -1.18 0.00 0.00 61.69 59.69 2apf s THR 83 Cb -0.41 -1.51 0.34 0.00 1.34 0.00 0.00 72.50 72.26 2apf s THR 83 CO 0.52 -0.37 2.14 -0.65 -0.54 0.00 0.00 174.62 175.72 2apf h PRO 84 N 3.61 0.00 0.00 3.99 0.11 -1.92 0.28 132.00 138.07 2apf h PRO 84 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2apf h PRO 84 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2apf h PRO 84 CO 0.49 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 2apf n SER 85 N -4.11 0.29 -0.36 -2.05 3.41 -1.26 -1.56 113.62 107.98 2apf n SER 85 Ca 0.00 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 2apf n SER 85 Cb 0.23 -0.66 0.33 0.00 -0.26 0.00 0.00 64.21 63.84 2apf n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2apf n GLN 86 N -1.88 1.12 -1.67 4.33 6.02 0.09 -4.88 117.38 120.52 2apf n GLN 86 Ca 0.00 -0.73 -0.44 0.00 -0.01 0.00 0.00 57.00 55.82 2apf n GLN 86 Cb 0.06 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 2apf n GLN 86 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2apf n THR 87 N -0.30 0.69 0.00 5.09 -1.04 -0.60 -4.88 114.28 113.24 2apf n THR 87 Ca 0.13 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2apf n THR 87 Cb 0.38 -2.18 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 2apf n THR 87 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2apf n THR 88 N 5.38 0.00 -3.79 12.58 5.66 -0.26 -5.01 114.28 128.85 2apf n THR 88 Ca 0.21 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.85 2apf n THR 88 Cb 0.37 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.10 2apf n THR 88 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2apf s VAL 89 N -2.00 5.35 -0.04 1.08 1.01 -1.26 -0.84 120.40 123.70 2apf s VAL 89 Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.24 2apf s VAL 89 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2apf s VAL 89 CO 0.00 0.47 -0.19 -0.31 0.00 0.00 0.00 175.10 175.07 2apf s TYR 90 N -1.19 1.84 -0.05 5.22 1.51 -0.25 -0.69 117.35 123.75 2apf s TYR 90 Ca 0.23 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 2apf s TYR 90 Cb -0.13 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 2apf s TYR 90 CO 0.12 -0.17 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.13 2apf s PHE 91 N -0.03 2.00 0.27 2.71 0.08 -0.07 -1.33 117.98 121.61 2apf s PHE 91 Ca -0.03 -0.58 0.06 0.00 0.12 0.00 0.00 56.93 56.50 2apf s PHE 91 Cb -0.12 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.97 2apf s PHE 91 CO 0.02 -0.18 0.29 0.00 -0.10 0.00 0.00 175.22 175.25 2apf s ALA 93 N -2.11 -0.05 0.16 0.00 0.00 -0.69 -0.50 121.76 118.57 2apf s ALA 93 Ca 0.35 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 2apf s ALA 93 Cb -0.08 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.81 2apf s ALA 93 CO 0.27 -0.60 0.45 -1.54 0.00 0.00 0.00 175.76 174.34 2apf s SER 94 N -2.93 -0.22 0.00 0.00 1.04 0.14 -1.04 113.70 110.69 2apf s SER 94 Ca 0.13 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2apf s SER 94 Cb 0.04 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2apf s SER 94 CO -0.04 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2apf n GLY 95 N -0.28 -2.04 3.66 7.32 0.00 -0.73 0.75 105.19 113.87 2apf n GLY 95 Ca -0.12 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.47 2apf n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2apf s GLY 96 N 0.00 1.69 0.00 -0.02 0.00 -1.26 -1.35 107.32 106.37 2apf s GLY 96 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2apf s GLY 96 CO 0.00 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.23 2apf n GLY 97 N -0.37 3.10 0.21 0.20 0.00 -1.26 -1.55 105.19 105.51 2apf n GLY 97 Ca -0.09 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.75 2apf n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2apf n GLY 98 N 0.00 -0.56 3.75 -0.02 0.00 -1.26 -4.95 105.19 102.16 2apf n GLY 98 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2apf n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apf s THR 99 N -1.98 3.30 -0.23 2.61 2.01 -0.60 -5.03 115.64 115.72 2apf s THR 99 Ca 0.40 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.64 2apf s THR 99 Cb 0.20 -3.79 0.06 0.00 0.01 0.00 0.00 72.50 68.98 2apf s THR 99 CO 0.33 0.26 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.72 2apf s LEU 100 N -1.13 2.41 -0.41 4.42 1.43 -1.26 -3.86 118.68 120.28 2apf s LEU 100 Ca 0.48 -1.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 2apf s LEU 100 Cb -0.34 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 44.79 2apf s LEU 100 CO 0.43 -0.25 0.51 -0.31 0.23 0.00 0.00 176.35 176.96 2apf s TYR 101 N 1.45 3.14 0.08 0.29 2.02 0.23 -4.90 117.35 119.66 2apf s TYR 101 Ca -0.04 -0.17 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 2apf s TYR 101 Cb -0.19 -3.04 -0.06 0.00 -0.40 0.00 0.00 41.96 38.27 2apf s TYR 101 CO -0.07 -0.72 0.44 -0.06 -1.57 0.00 0.00 175.55 173.58 2apf s PHE 108 N 2.40 3.62 1.18 2.71 0.40 -1.26 -0.68 117.98 126.34 2apf s PHE 108 Ca 0.17 0.90 -0.16 0.00 -0.60 0.00 0.00 56.93 57.24 2apf s PHE 108 Cb -0.16 -2.24 0.28 0.00 0.51 0.00 0.00 43.02 41.41 2apf s PHE 108 CO 0.15 0.52 1.05 0.20 0.70 0.00 0.00 175.22 177.84 2apf s GLY 109 N -1.63 1.53 0.00 4.36 0.00 0.35 -4.77 107.32 107.16 2apf s GLY 109 Ca 0.33 -0.55 0.27 0.00 0.00 0.00 0.00 44.72 44.77 2apf s GLY 109 CO 0.18 0.24 1.60 0.00 0.00 0.00 0.00 173.10 175.12 2apf n ALA 110 N -4.82 3.13 0.00 3.20 0.00 -1.26 -4.78 120.51 115.98 2apf n ALA 110 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2apf n ALA 110 Cb 0.58 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2apf n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2apf n GLY 111 N 1.44 2.54 2.97 0.00 0.00 -1.26 -5.05 105.19 105.83 2apf n GLY 111 Ca 0.08 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 2apf n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apf s THR 112 N -2.09 1.07 -0.23 2.61 2.01 -0.44 -4.61 115.64 113.95 2apf s THR 112 Ca 0.00 -0.39 -0.18 0.00 0.31 0.00 0.00 61.69 61.43 2apf s THR 112 Cb 0.00 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 2apf s THR 112 CO 0.00 0.35 0.53 -0.13 -0.69 0.00 0.00 174.62 174.68 2apf s ARG 113 N 1.08 4.13 -0.15 4.92 0.52 0.02 -1.09 118.95 128.39 2apf s ARG 113 Ca -0.07 0.38 -0.00 0.00 -0.52 0.00 0.00 55.73 55.52 2apf s ARG 113 Cb -0.14 -3.61 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 2apf s ARG 113 CO -0.01 -0.27 -0.13 -1.17 0.02 0.00 0.00 175.30 173.74 2apf s LEU 114 N 2.03 2.67 -0.18 2.53 2.96 -0.02 -0.56 118.68 128.09 2apf s LEU 114 Ca 0.23 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2apf s LEU 114 Cb -0.15 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 44.95 2apf s LEU 114 CO 0.09 0.13 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.51 2apf s SER 115 N 0.58 3.21 -0.31 3.68 0.15 -0.26 -1.10 113.70 119.66 2apf s SER 115 Ca -0.08 -0.70 -0.08 0.00 0.70 0.00 0.00 55.95 55.79 2apf s SER 115 Cb -0.16 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2apf s SER 115 CO 0.03 -0.02 0.12 -0.69 1.20 0.00 0.00 173.24 173.88 2apf s VAL 116 N 1.29 4.26 -2.85 4.45 1.01 -1.26 -0.52 120.40 126.78 2apf s VAL 116 Ca 0.04 -0.59 0.25 0.00 0.00 0.00 0.00 61.98 61.68 2apf s VAL 116 Cb -0.14 -3.19 0.30 0.00 0.00 0.00 0.00 36.38 33.35 2apf s VAL 116 CO -0.12 0.06 1.40 0.18 0.00 0.00 0.00 175.10 176.62