#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2apt h ALA 3 N 0.00 1.46 -3.10 0.00 0.00 -1.95 -3.41 119.26 112.26 2apt h ALA 3 Ca 0.00 -0.19 -0.65 0.00 0.00 0.00 0.00 54.91 54.07 2apt h ALA 3 Cb 0.00 -0.12 -0.35 0.00 0.00 0.00 0.00 17.79 17.32 2apt h ALA 3 CO 0.00 0.38 -0.85 0.08 0.00 0.00 0.00 179.25 178.86 2apt s VAL 4 N -4.87 1.90 -0.02 0.00 1.01 -1.26 -0.78 120.40 116.37 2apt s VAL 4 Ca -0.07 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2apt s VAL 4 Cb 0.16 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2apt s VAL 4 CO 0.75 0.51 -0.18 0.42 0.00 0.00 0.00 175.10 176.60 2apt s THR 5 N 1.27 1.46 0.02 3.92 -4.23 0.12 -4.50 115.64 113.71 2apt s THR 5 Ca 0.03 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 2apt s THR 5 Cb -0.13 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.45 2apt s THR 5 CO -0.10 0.42 -0.11 -1.10 -0.54 0.00 0.00 174.62 173.18 2apt s GLN 6 N -0.30 2.36 -0.02 3.99 -0.21 -1.26 -0.88 119.66 123.34 2apt s GLN 6 Ca 0.04 -0.83 -0.05 0.00 0.02 0.00 0.00 55.36 54.54 2apt s GLN 6 Cb -0.08 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.56 2apt s GLN 6 CO 0.00 0.58 0.11 -1.54 -2.12 0.00 0.00 175.29 172.32 2apt s SER 7 N -1.43 -0.02 0.86 5.90 1.04 -0.65 -4.39 113.70 115.02 2apt s SER 7 Ca 0.16 -0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.44 2apt s SER 7 Cb -0.11 0.22 0.11 0.00 0.10 0.00 0.00 66.02 66.34 2apt s SER 7 CO 0.07 -0.22 1.12 -2.16 0.98 0.00 0.00 173.24 173.03 2apt s PRO 8 N -0.74 1.53 0.25 4.02 0.04 -1.26 -1.10 135.00 137.74 2apt s PRO 8 Ca -0.08 0.44 0.24 0.00 0.04 0.00 0.00 61.00 61.64 2apt s PRO 8 Cb -0.05 -1.87 0.49 0.00 0.04 0.00 0.00 34.50 33.11 2apt s PRO 8 CO 0.01 -1.96 1.55 0.00 0.04 0.00 0.00 177.00 176.64 2apt h ARG 9 N -1.33 0.00 -3.18 4.56 2.47 -1.86 -3.43 114.38 111.61 2apt h ARG 9 Ca -0.49 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.08 2apt h ARG 9 Cb 1.31 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.39 2apt h ARG 9 CO 0.61 0.00 -0.41 -0.80 0.56 0.00 0.00 179.97 179.93 2apt s ASN 10 N -5.00 -0.20 -0.18 7.04 0.01 -1.26 -1.47 114.94 113.88 2apt s ASN 10 Ca 0.07 0.31 -0.07 0.00 -0.71 0.00 0.00 52.86 52.46 2apt s ASN 10 Cb 0.10 0.42 0.08 0.00 0.41 0.00 0.00 41.25 42.27 2apt s ASN 10 CO 0.67 -0.20 0.39 -0.75 -1.51 0.00 0.00 177.10 175.70 2apt s LYS 11 N -0.38 0.29 -0.24 -0.60 2.47 -0.38 -4.95 119.74 115.95 2apt s LYS 11 Ca -0.05 0.97 -0.09 0.00 -1.56 0.00 0.00 55.97 55.24 2apt s LYS 11 Cb -0.03 0.25 -0.04 0.00 -1.46 0.00 0.00 37.83 36.54 2apt s LYS 11 CO 0.01 -0.25 0.13 0.14 0.16 0.00 0.00 175.35 175.54 2apt s VAL 12 N 2.52 5.03 0.33 4.02 -7.23 -1.26 -1.01 120.40 122.80 2apt s VAL 12 Ca -0.02 0.07 0.08 0.00 -1.81 0.00 0.00 61.98 60.30 2apt s VAL 12 Cb -0.12 -3.34 -0.06 0.00 0.56 0.00 0.00 36.38 33.42 2apt s VAL 12 CO -0.12 0.35 -0.06 0.00 -0.31 0.00 0.00 175.10 174.96 2apt s ALA 13 N 1.16 2.72 -0.10 1.32 0.00 0.11 -4.97 121.76 122.01 2apt s ALA 13 Ca 0.06 -2.05 -0.01 0.00 0.00 0.00 0.00 51.96 49.97 2apt s ALA 13 Cb -0.14 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2apt s ALA 13 CO 0.05 -0.03 -0.05 0.08 0.00 0.00 0.00 175.76 175.81 2apt s VAL 14 N -2.82 3.84 -0.30 0.00 1.01 -1.26 0.17 120.40 121.04 2apt s VAL 14 Ca 0.32 -0.41 -0.44 0.00 0.00 0.00 0.00 61.98 61.45 2apt s VAL 14 Cb 0.04 -2.61 -0.19 0.00 0.00 0.00 0.00 36.38 33.62 2apt s VAL 14 CO 0.15 0.57 1.44 0.41 0.00 0.00 0.00 175.10 177.66 2apt n THR 15 N 2.61 0.03 0.00 3.92 -1.04 -0.88 -1.16 114.28 117.77 2apt n THR 15 Ca -0.18 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2apt n THR 15 Cb 0.53 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 2apt n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2apt n GLY 16 N 3.17 2.57 3.76 3.41 0.00 -0.36 -4.91 105.19 112.83 2apt n GLY 16 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 2apt n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2apt s GLU 17 N -0.69 3.49 -0.31 1.61 2.12 -0.31 -4.26 118.70 120.36 2apt s GLU 17 Ca 0.00 2.22 -0.21 0.00 0.36 0.00 0.00 54.97 57.33 2apt s GLU 17 Cb 0.00 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 2apt s GLU 17 CO 0.00 -0.90 0.68 0.21 -0.54 0.00 0.00 175.26 174.71 2apt s LYS 18 N -2.65 3.92 -0.13 4.30 2.20 -1.25 -0.46 119.74 125.65 2apt s LYS 18 Ca 0.65 0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 56.64 2apt s LYS 18 Cb -0.40 -3.73 -0.02 0.00 -1.51 0.00 0.00 37.83 32.17 2apt s LYS 18 CO 0.49 -0.61 -0.08 0.08 -0.36 0.00 0.00 175.35 174.86 2apt s VAL 19 N 2.73 3.49 -0.17 4.02 1.01 -0.37 -4.99 120.40 126.12 2apt s VAL 19 Ca 0.28 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2apt s VAL 19 Cb -0.15 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 2apt s VAL 19 CO 0.12 0.52 -0.12 -0.89 0.00 0.00 0.00 175.10 174.73 2apt s THR 20 N 0.22 2.92 -0.10 3.92 2.01 -1.26 -0.04 115.64 123.30 2apt s THR 20 Ca -0.05 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2apt s THR 20 Cb -0.15 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 2apt s THR 20 CO 0.04 0.50 0.00 -0.76 -0.69 0.00 0.00 174.62 173.71 2apt s LEU 21 N 0.89 3.55 -0.00 4.42 1.43 0.58 -4.77 118.68 124.78 2apt s LEU 21 Ca -0.03 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2apt s LEU 21 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2apt s LEU 21 CO -0.00 0.33 -0.05 -0.44 0.23 0.00 0.00 176.35 176.42 2apt s SER 22 N -0.61 4.74 -0.04 2.29 0.01 -0.26 -0.06 113.70 119.77 2apt s SER 22 Ca 0.10 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2apt s SER 22 Cb -0.12 -1.14 0.03 0.00 0.21 0.00 0.00 66.02 65.00 2apt s SER 22 CO 0.02 0.29 -0.01 0.00 0.41 0.00 0.00 173.24 173.95 2apt s GLN 24 N 1.12 1.96 0.09 0.00 1.11 -0.05 -1.41 119.66 122.49 2apt s GLN 24 Ca -0.08 -0.78 0.05 0.00 0.01 0.00 0.00 55.36 54.56 2apt s GLN 24 Cb -0.14 -1.79 -0.03 0.00 -1.01 0.00 0.00 33.01 30.04 2apt s GLN 24 CO -0.02 0.40 -0.14 1.14 0.01 0.00 0.00 175.29 176.69 2apt s GLN 25 N -0.31 0.90 -0.04 2.91 1.03 0.36 0.14 119.66 124.64 2apt s GLN 25 Ca 0.03 -1.08 0.06 0.00 0.04 0.00 0.00 55.36 54.41 2apt s GLN 25 Cb -0.10 -0.82 0.09 0.00 0.03 0.00 0.00 33.01 32.21 2apt s GLN 25 CO 0.01 0.17 1.04 0.25 -2.54 0.00 0.00 175.29 174.21 2apt n THR 26 N 0.92 1.25 0.37 3.63 -2.24 0.04 -4.66 114.28 113.61 2apt n THR 26 Ca -0.19 -1.37 0.12 0.00 -2.27 0.00 0.00 64.05 60.34 2apt n THR 26 Cb 0.56 0.27 0.16 0.00 -2.10 0.00 0.00 70.33 69.21 2apt n THR 26 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2apt h ASN 27 N 0.00 0.00 -4.48 3.42 2.35 -1.96 -3.48 115.58 111.43 2apt h ASN 27 Ca 0.00 -0.08 -0.32 0.00 -0.55 0.00 0.00 56.30 55.36 2apt h ASN 27 Cb 0.68 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.14 2apt h ASN 27 CO 0.00 0.04 -0.52 -3.20 -1.65 0.00 0.00 177.43 172.10 2apt n ASN 28 N -2.50 -5.39 -4.87 5.81 5.15 -1.26 -5.02 115.26 107.18 2apt n ASN 28 Ca 0.03 -0.37 -0.31 0.00 -0.60 0.00 0.00 54.58 53.32 2apt n ASN 28 Cb 0.49 -4.06 -0.05 0.00 -0.53 0.00 0.00 39.78 35.63 2apt n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2apt s HIS 29 N -3.19 3.43 0.02 1.20 3.76 -1.26 -5.02 115.29 114.22 2apt s HIS 29 Ca 0.40 0.91 -0.09 0.00 -0.15 0.00 0.00 55.06 56.13 2apt s HIS 29 Cb -0.18 -2.30 -0.31 0.00 1.11 0.00 0.00 32.58 30.90 2apt s HIS 29 CO 0.50 0.20 0.95 -0.91 -0.85 0.00 0.00 174.74 174.62 2apt h ASN 30 N 2.27 0.61 -2.99 1.40 -0.26 -1.89 -3.46 115.58 111.26 2apt h ASN 30 Ca -0.47 -0.72 -0.61 0.00 -0.56 0.00 0.00 56.30 53.93 2apt h ASN 30 Cb 1.17 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 38.19 2apt h ASN 30 CO 0.68 1.58 -0.30 0.20 -1.06 0.00 0.00 177.43 178.53 2apt s ASN 31 N -7.30 6.61 0.03 5.81 0.02 -0.90 -2.81 114.94 116.40 2apt s ASN 31 Ca -0.09 0.73 -0.01 0.00 -1.02 0.00 0.00 52.86 52.46 2apt s ASN 31 Cb 0.06 -2.16 -0.02 0.00 0.02 0.00 0.00 41.25 39.15 2apt s ASN 31 CO 0.90 0.25 -0.00 -0.04 0.02 0.00 0.00 177.10 178.22 2apt s MET 32 N -1.64 0.44 -0.02 -0.60 -1.94 -0.78 -1.44 119.30 113.33 2apt s MET 32 Ca 0.28 -0.79 -0.10 0.00 -1.71 0.00 0.00 55.69 53.37 2apt s MET 32 Cb -0.14 0.16 0.01 0.00 2.01 0.00 0.00 34.83 36.87 2apt s MET 32 CO 0.15 -0.08 0.22 0.71 -0.01 0.00 0.00 175.02 176.01 2apt s TYR 33 N -2.30 -0.10 -0.12 -0.03 1.51 -0.48 -0.89 117.35 114.94 2apt s TYR 33 Ca -0.08 0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.14 2apt s TYR 33 Cb -0.04 0.03 0.02 0.00 -0.11 0.00 0.00 41.96 41.86 2apt s TYR 33 CO -0.04 -0.30 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.38 2apt s TRP 34 N -1.10 2.02 0.28 2.71 0.52 -0.64 -1.47 118.94 121.25 2apt s TRP 34 Ca -0.12 -1.02 0.11 0.00 0.02 0.00 0.00 56.10 55.10 2apt s TRP 34 Cb -0.06 -1.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.74 2apt s TRP 34 CO 0.02 -0.54 -0.18 0.71 0.02 0.00 0.00 176.95 176.98 2apt s TYR 35 N 1.19 2.24 0.13 -1.98 1.51 0.21 -0.83 117.35 119.81 2apt s TYR 35 Ca -0.02 -0.37 0.09 0.00 -1.01 0.00 0.00 57.07 55.76 2apt s TYR 35 Cb -0.14 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 2apt s TYR 35 CO -0.05 0.67 -0.22 -0.98 -1.11 0.00 0.00 175.55 173.85 2apt s ARG 36 N -3.54 1.25 -0.14 -0.62 1.70 -0.64 -0.69 118.95 116.27 2apt s ARG 36 Ca 0.29 -1.28 0.02 0.00 -0.47 0.00 0.00 55.73 54.29 2apt s ARG 36 Cb -0.04 -1.54 0.00 0.00 -0.57 0.00 0.00 34.95 32.81 2apt s ARG 36 CO 0.14 0.35 -0.19 -1.14 -1.08 0.00 0.00 175.30 173.38 2apt s GLN 37 N -2.16 3.13 -0.01 3.89 0.74 -0.22 -1.07 119.66 123.95 2apt s GLN 37 Ca 0.11 -0.80 -0.03 0.00 0.05 0.00 0.00 55.36 54.69 2apt s GLN 37 Cb -0.09 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.51 2apt s GLN 37 CO 0.06 0.04 0.06 -0.51 -0.55 0.00 0.00 175.29 174.39 2apt s ASP 38 N 0.71 0.01 0.19 6.67 1.01 -1.11 -3.54 116.67 120.61 2apt s ASP 38 Ca -0.08 -0.05 -0.33 0.00 0.71 0.00 0.00 52.55 52.80 2apt s ASP 38 Cb -0.16 0.14 -0.14 0.00 1.01 0.00 0.00 42.92 43.77 2apt s ASP 38 CO 0.01 -0.14 1.45 0.41 0.21 0.00 0.00 175.17 177.11 2apt n THR 39 N 2.49 0.47 -0.58 -1.27 -1.04 -1.26 -1.07 114.28 112.03 2apt n THR 39 Ca -0.16 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2apt n THR 39 Cb 0.58 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 2apt n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2apt n GLY 40 N 2.67 1.73 0.02 3.41 0.00 -1.26 -4.80 105.19 106.96 2apt n GLY 40 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 2apt n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2apt n HIS 41 N -2.00 0.00 -4.08 1.61 -0.00 -0.23 -5.13 115.22 105.40 2apt n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2apt n HIS 41 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 29.78 2apt n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2apt n GLY 42 N 2.54 -0.54 3.61 -1.41 0.00 -1.09 -4.73 105.19 103.56 2apt n GLY 42 Ca -0.06 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 2apt n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2apt s LEU 43 N 0.00 4.05 -0.10 0.99 2.01 -1.26 -2.74 118.68 121.63 2apt s LEU 43 Ca 0.00 0.30 -0.01 0.00 0.01 0.00 0.00 54.13 54.44 2apt s LEU 43 Cb 0.00 -2.43 -0.03 0.00 0.01 0.00 0.00 46.19 43.75 2apt s LEU 43 CO 0.00 -0.17 -0.06 -0.13 1.01 0.00 0.00 176.35 177.00 2apt s ARG 44 N 1.99 3.05 -0.05 1.70 0.52 -0.24 -4.91 118.95 121.01 2apt s ARG 44 Ca 0.15 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 2apt s ARG 44 Cb -0.16 -2.70 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 2apt s ARG 44 CO 0.10 0.54 0.94 -1.17 0.02 0.00 0.00 175.30 175.72 2apt s LEU 45 N -0.45 4.32 -0.22 2.53 2.96 -1.26 -1.63 118.68 124.93 2apt s LEU 45 Ca 0.07 1.53 -0.16 0.00 -0.22 0.00 0.00 54.13 55.35 2apt s LEU 45 Cb -0.12 -3.48 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 2apt s LEU 45 CO 0.02 -0.30 -0.29 -0.38 -1.32 0.00 0.00 176.35 174.08 2apt n ILE 46 N 4.12 1.51 -3.70 6.68 5.41 -0.01 0.19 119.36 133.57 2apt n ILE 46 Ca 0.06 -0.08 -0.14 0.00 1.00 0.00 0.00 62.75 63.59 2apt n ILE 46 Cb 0.50 -2.14 -0.07 0.00 -0.71 0.00 0.00 39.64 37.22 2apt n ILE 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2apt s HIS 47 N -2.64 -0.27 0.28 1.39 3.76 -1.22 -1.02 115.29 115.58 2apt s HIS 47 Ca -0.32 0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.96 2apt s HIS 47 Cb 0.08 0.18 -0.03 0.00 1.11 0.00 0.00 32.58 33.92 2apt s HIS 47 CO 0.45 -0.49 0.26 1.52 -0.85 0.00 0.00 174.74 175.63 2apt s TYR 48 N -1.80 1.40 -0.13 1.40 1.13 -0.08 -1.62 117.35 117.65 2apt s TYR 48 Ca -0.10 -1.48 -0.10 0.00 -1.41 0.00 0.00 57.07 53.99 2apt s TYR 48 Cb -0.03 -0.54 0.04 0.00 -1.10 0.00 0.00 41.96 40.33 2apt s TYR 48 CO 0.02 -0.83 0.34 0.45 -2.51 0.00 0.00 175.55 173.02 2apt s SER 49 N -3.27 -0.38 0.00 -0.18 0.15 -0.07 0.81 113.70 110.76 2apt s SER 49 Ca 0.38 0.70 0.27 0.00 0.70 0.00 0.00 55.95 58.00 2apt s SER 49 Cb 0.03 0.66 0.76 0.00 -1.71 0.00 0.00 66.02 65.76 2apt s SER 49 CO 0.21 -0.15 1.57 -1.22 1.20 0.00 0.00 173.24 174.85 2apt n TYR 50 N 3.50 0.00 0.00 3.44 4.01 -1.26 -1.86 117.16 124.99 2apt n TYR 50 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2apt n TYR 50 Cb 0.56 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 2apt n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2apt n GLY 51 N 1.27 2.51 3.72 2.72 0.00 -1.12 -4.45 105.19 109.84 2apt n GLY 51 Ca 0.15 -0.92 -0.61 0.00 0.00 0.00 0.00 46.02 44.64 2apt n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2apt n ALA 52 N -0.87 -0.55 0.00 4.61 0.00 -1.26 -0.62 120.51 121.82 2apt n ALA 52 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2apt n ALA 52 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 2apt n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2apt n GLY 53 N 4.17 2.06 3.74 0.00 0.00 0.03 -4.98 105.19 110.20 2apt n GLY 53 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 2apt n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2apt s ASN 54 N -1.47 5.46 -0.03 1.61 3.84 0.21 -4.89 114.94 119.68 2apt s ASN 54 Ca 0.00 0.12 -0.03 0.00 0.21 0.00 0.00 52.86 53.16 2apt s ASN 54 Cb 0.00 -1.53 0.01 0.00 -0.55 0.00 0.00 41.25 39.17 2apt s ASN 54 CO 0.00 0.31 0.08 0.42 -2.79 0.00 0.00 177.10 175.11 2apt s THR 55 N -1.09 0.01 0.15 -5.21 -4.23 -1.26 -4.29 115.64 99.73 2apt s THR 55 Ca 0.19 -0.06 0.09 0.00 -1.18 0.00 0.00 61.69 60.73 2apt s THR 55 Cb -0.12 -0.14 -0.04 0.00 1.34 0.00 0.00 72.50 73.54 2apt s THR 55 CO 0.10 -0.03 -0.20 -1.61 -0.54 0.00 0.00 174.62 172.34 2apt s GLU 56 N -0.07 1.27 0.33 3.99 0.41 0.24 -4.95 118.70 119.93 2apt s GLU 56 Ca -0.01 -1.37 -0.22 0.00 -0.41 0.00 0.00 54.97 52.96 2apt s GLU 56 Cb -0.01 -1.42 -0.10 0.00 -1.78 0.00 0.00 34.13 30.82 2apt s GLU 56 CO 0.00 0.30 0.88 0.15 -0.49 0.00 0.00 175.26 176.10 2apt s LYS 57 N -2.57 4.36 0.00 1.61 -0.14 -1.26 -0.90 119.74 120.83 2apt s LYS 57 Ca 0.14 1.11 0.00 0.00 -1.36 0.00 0.00 55.97 55.86 2apt s LYS 57 Cb -0.07 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 2apt s LYS 57 CO 0.06 0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.27 2apt n GLY 58 N 0.15 2.11 0.15 -3.33 0.00 -0.19 -4.80 105.19 99.29 2apt n GLY 58 Ca 0.03 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.28 2apt n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2apt h ASP 59 N 0.00 0.00 -1.83 1.61 3.32 -0.46 -3.39 116.42 115.67 2apt h ASP 59 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 2apt h ASP 59 Cb 0.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.15 2apt h ASP 59 CO 0.00 0.39 -1.19 2.30 -1.72 0.00 0.00 179.24 179.01 2apt n ILE 60 N -3.17 0.01 0.28 0.35 -5.35 -1.04 -4.97 119.36 105.47 2apt n ILE 60 Ca 0.02 -4.33 0.14 0.00 -0.27 0.00 0.00 62.75 58.30 2apt n ILE 60 Cb 0.69 -0.10 0.35 0.00 -1.74 0.00 0.00 39.64 38.84 2apt n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2apt h PRO 61 N 3.00 0.00 -6.62 6.28 0.13 -1.76 -3.44 132.00 129.58 2apt h PRO 61 Ca 0.07 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.68 2apt h PRO 61 Cb 1.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.19 2apt h PRO 61 CO 0.50 0.00 1.03 -0.51 -0.23 0.00 0.00 178.00 178.79 2apt s ASP 62 N -5.85 6.40 -0.56 1.44 1.01 -1.26 -1.15 116.67 116.70 2apt s ASP 62 Ca 0.06 2.83 -0.01 0.00 0.71 0.00 0.00 52.55 56.14 2apt s ASP 62 Cb 0.07 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2apt s ASP 62 CO 0.62 -0.97 0.09 0.61 0.21 0.00 0.00 175.17 175.72 2apt n GLY 63 N 4.03 0.16 3.25 0.21 0.00 -1.26 -5.05 105.19 106.54 2apt n GLY 63 Ca 0.16 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 2apt n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2apt s TYR 65 N -2.51 -0.19 0.25 1.61 2.02 -0.30 -3.16 117.35 115.08 2apt s TYR 65 Ca 0.04 0.25 0.08 0.00 -0.37 0.00 0.00 57.07 57.07 2apt s TYR 65 Cb -0.02 0.11 -0.05 0.00 -0.40 0.00 0.00 41.96 41.60 2apt s TYR 65 CO 0.05 -0.42 -0.13 -1.21 -1.57 0.00 0.00 175.55 172.27 2apt s GLU 66 N -1.55 1.49 0.11 -0.62 2.02 -0.29 -4.97 118.70 114.89 2apt s GLU 66 Ca -0.12 -1.70 0.04 0.00 0.02 0.00 0.00 54.97 53.21 2apt s GLU 66 Cb -0.04 -1.30 -0.04 0.00 0.10 0.00 0.00 34.13 32.85 2apt s GLU 66 CO 0.03 0.17 -0.10 0.00 0.02 0.00 0.00 175.26 175.39 2apt s ALA 67 N -2.87 1.19 -0.08 5.21 0.00 -1.26 0.20 121.76 124.16 2apt s ALA 67 Ca 0.26 -1.29 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 2apt s ALA 67 Cb -0.00 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.20 2apt s ALA 67 CO 0.10 -0.07 0.19 0.45 0.00 0.00 0.00 175.76 176.43 2apt s SER 68 N -2.70 -0.18 -0.76 0.00 0.15 -0.62 -4.97 113.70 104.63 2apt s SER 68 Ca 0.09 0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.16 2apt s SER 68 Cb -0.01 0.29 0.18 0.00 -1.71 0.00 0.00 66.02 64.77 2apt s SER 68 CO -0.00 -0.15 0.58 -0.60 1.20 0.00 0.00 173.24 174.27 2apt s ARG 69 N 1.13 2.72 0.45 5.44 6.06 -1.26 -0.97 118.95 132.51 2apt s ARG 69 Ca -0.09 -3.29 0.27 0.00 -2.50 0.00 0.00 55.73 50.12 2apt s ARG 69 Cb -0.10 -3.60 0.79 0.00 0.06 0.00 0.00 34.95 32.09 2apt s ARG 69 CO -0.07 -1.27 1.76 -1.00 -2.50 0.00 0.00 175.30 172.23 2apt h PRO 70 N 5.66 0.00 -3.50 5.12 0.13 -1.96 0.13 132.00 137.58 2apt h PRO 70 Ca 0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 2apt h PRO 70 Cb 0.78 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.83 2apt h PRO 70 CO 0.76 0.00 -0.02 -1.54 -0.23 0.00 0.00 178.00 176.97 2apt s SER 71 N -5.74 -0.07 0.50 1.44 1.04 -1.26 -4.73 113.70 104.88 2apt s SER 71 Ca 0.05 -0.90 0.15 0.00 0.48 0.00 0.00 55.95 55.74 2apt s SER 71 Cb 0.07 0.64 1.19 0.00 0.10 0.00 0.00 66.02 68.02 2apt s SER 71 CO 0.60 -1.22 2.11 -0.74 0.98 0.00 0.00 173.24 174.97 2apt h HIS 72 N 2.18 0.02 0.00 5.02 2.76 -1.95 -3.06 115.15 120.12 2apt h HIS 72 Ca -0.25 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2apt h HIS 72 Cb 1.25 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.20 2apt h HIS 72 CO 0.51 0.06 -1.16 0.39 -1.30 0.00 0.00 177.93 176.42 2apt n GLU 73 N -4.49 0.55 -4.79 5.26 4.71 -1.26 -4.85 120.64 115.76 2apt n GLU 73 Ca -0.03 0.04 -0.24 0.00 -0.01 0.00 0.00 57.16 56.92 2apt n GLU 73 Cb 0.12 -1.73 -0.15 0.00 -1.01 0.00 0.00 31.44 28.67 2apt n GLU 73 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 2apt s GLN 74 N -3.35 1.42 -0.09 3.49 0.74 -1.16 -0.49 119.66 120.22 2apt s GLN 74 Ca -0.01 -0.59 -0.03 0.00 0.05 0.00 0.00 55.36 54.78 2apt s GLN 74 Cb 0.11 -1.34 0.05 0.00 1.10 0.00 0.00 33.01 32.93 2apt s GLN 74 CO 0.81 0.33 0.15 0.12 -0.55 0.00 0.00 175.29 176.15 2apt s PHE 75 N -0.30 -0.14 -0.03 1.67 5.36 -0.50 -3.78 117.98 120.26 2apt s PHE 75 Ca 0.04 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 2apt s PHE 75 Cb -0.07 -0.31 -0.04 0.00 -0.34 0.00 0.00 43.02 42.26 2apt s PHE 75 CO -0.00 -0.29 0.01 -1.12 -1.46 0.00 0.00 175.22 172.36 2apt s SER 76 N 2.27 5.24 -0.20 6.13 0.01 -0.14 -1.90 113.70 125.12 2apt s SER 76 Ca 0.04 0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 2apt s SER 76 Cb -0.12 -1.43 -0.02 0.00 0.21 0.00 0.00 66.02 64.66 2apt s SER 76 CO -0.06 0.31 -0.02 -0.22 0.41 0.00 0.00 173.24 173.67 2apt s LEU 77 N -1.36 3.17 -0.26 2.44 2.96 0.92 -1.58 118.68 124.96 2apt s LEU 77 Ca 0.18 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 2apt s LEU 77 Cb -0.12 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2apt s LEU 77 CO 0.08 0.07 0.05 -0.63 -1.32 0.00 0.00 176.35 174.60 2apt s ILE 78 N 0.99 3.98 -0.53 6.68 -1.09 0.13 -0.31 121.20 131.06 2apt s ILE 78 Ca 0.01 -0.46 -0.24 0.00 -2.23 0.00 0.00 60.65 57.73 2apt s ILE 78 Cb -0.14 -2.94 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 2apt s ILE 78 CO 0.01 0.24 0.92 -0.76 -1.23 0.00 0.00 174.94 174.13 2apt s LEU 79 N 1.54 4.12 0.18 2.97 1.02 0.94 -1.14 118.68 128.31 2apt s LEU 79 Ca 0.05 -0.27 -0.05 0.00 0.02 0.00 0.00 54.13 53.88 2apt s LEU 79 Cb -0.16 -2.89 0.07 0.00 0.02 0.00 0.00 46.19 43.23 2apt s LEU 79 CO 0.02 -1.16 1.49 1.62 0.02 0.00 0.00 176.35 178.34 2apt h VAL 80 N 6.02 1.31 -2.23 -1.59 3.04 -1.82 -0.97 116.25 120.01 2apt h VAL 80 Ca -0.26 -1.75 -0.39 0.00 -1.01 0.00 0.00 66.70 63.30 2apt h VAL 80 Cb 1.08 1.70 -0.34 0.00 -2.01 0.00 0.00 31.29 31.71 2apt h VAL 80 CO 1.06 0.55 -0.69 -0.55 -1.01 0.00 0.00 177.57 176.94 2apt s SER 81 N -6.91 1.94 0.24 3.17 0.15 -1.25 -3.97 113.70 107.06 2apt s SER 81 Ca -0.08 -1.15 -0.31 0.00 0.70 0.00 0.00 55.95 55.11 2apt s SER 81 Cb 0.11 0.32 -0.13 0.00 -1.71 0.00 0.00 66.02 64.61 2apt s SER 81 CO 0.85 -0.36 1.51 0.00 1.20 0.00 0.00 173.24 176.45 2apt n ALA 82 N 4.95 1.70 -2.63 5.45 0.00 0.39 -4.59 120.51 125.77 2apt n ALA 82 Ca 0.02 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 2apt n ALA 82 Cb 0.45 -2.36 -0.12 0.00 0.00 0.00 0.00 19.45 17.41 2apt n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2apt s THR 83 N 0.21 1.34 0.57 0.00 -4.23 -1.26 -1.23 115.64 111.04 2apt s THR 83 Ca 0.69 -1.34 0.29 0.00 -1.18 0.00 0.00 61.69 60.15 2apt s THR 83 Cb -0.60 -1.25 0.40 0.00 1.34 0.00 0.00 72.50 72.40 2apt s THR 83 CO 0.46 -0.12 1.93 -0.65 -0.54 0.00 0.00 174.62 175.71 2apt h PRO 84 N 4.34 0.00 0.00 3.99 0.11 -1.91 0.51 132.00 139.03 2apt h PRO 84 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2apt h PRO 84 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2apt h PRO 84 CO 0.41 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.07 2apt n SER 85 N -3.98 0.56 -0.44 -2.05 3.41 -1.26 -2.11 113.62 107.75 2apt n SER 85 Ca 0.10 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.44 2apt n SER 85 Cb 0.69 -0.74 0.45 0.00 -0.26 0.00 0.00 64.21 64.35 2apt n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2apt n GLN 86 N -2.09 1.58 -2.03 4.33 6.02 0.18 -4.83 117.38 120.53 2apt n GLN 86 Ca 0.03 -0.87 -0.42 0.00 -0.01 0.00 0.00 57.00 55.73 2apt n GLN 86 Cb 0.27 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 2apt n GLN 86 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2apt s SER 87 N -1.66 6.69 0.05 1.08 0.01 -0.90 -4.90 113.70 114.07 2apt s SER 87 Ca 0.33 2.33 -0.22 0.00 1.31 0.00 0.00 55.95 59.71 2apt s SER 87 Cb 0.18 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.92 2apt s SER 87 CO 0.27 -0.84 0.99 -0.24 0.41 0.00 0.00 173.24 173.84 2apt n SER 88 N 5.68 -1.19 -4.43 2.44 2.88 -0.93 -5.00 113.62 113.07 2apt n SER 88 Ca 0.15 -1.43 -0.35 0.00 -1.33 0.00 0.00 58.87 55.91 2apt n SER 88 Cb 0.42 1.89 -0.13 0.00 -0.75 0.00 0.00 64.21 65.64 2apt n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2apt s VAL 89 N -2.08 3.90 -0.15 2.46 1.01 -1.23 -1.52 120.40 122.79 2apt s VAL 89 Ca 0.23 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 2apt s VAL 89 Cb -0.01 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2apt s VAL 89 CO 0.02 0.42 0.02 -0.31 0.00 0.00 0.00 175.10 175.25 2apt s TYR 90 N 1.06 3.19 -0.10 5.22 1.51 0.20 -1.05 117.35 127.37 2apt s TYR 90 Ca 0.02 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 2apt s TYR 90 Cb -0.14 -1.96 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2apt s TYR 90 CO 0.01 0.22 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.47 2apt s PHE 91 N -0.03 1.83 0.21 2.71 0.08 0.14 -0.33 117.98 122.58 2apt s PHE 91 Ca 0.04 -0.81 -0.07 0.00 0.12 0.00 0.00 56.93 56.21 2apt s PHE 91 Cb -0.13 -1.33 -0.06 0.00 -0.57 0.00 0.00 43.02 40.93 2apt s PHE 91 CO 0.02 -0.42 0.48 0.00 -0.10 0.00 0.00 175.22 175.20 2apt s ALA 93 N -1.82 0.17 0.32 0.00 0.00 -0.54 -0.18 121.76 119.71 2apt s ALA 93 Ca 0.44 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.61 2apt s ALA 93 Cb -0.11 0.30 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2apt s ALA 93 CO 0.24 -0.37 -0.04 -1.54 0.00 0.00 0.00 175.76 174.06 2apt s SER 94 N -2.58 3.01 0.00 0.00 1.04 -0.65 -1.39 113.70 113.14 2apt s SER 94 Ca 0.02 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2apt s SER 94 Cb 0.04 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2apt s SER 94 CO -0.08 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2apt n GLY 95 N -0.69 0.93 3.05 7.32 0.00 -0.52 0.15 105.19 115.42 2apt n GLY 95 Ca -0.05 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 2apt n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2apt s VAL 96 N -2.00 0.61 0.00 1.61 1.01 -1.25 -2.12 120.40 118.26 2apt s VAL 96 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2apt s VAL 96 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2apt s VAL 96 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.54 2apt n GLY 97 N 1.96 3.07 1.18 4.51 0.00 -1.26 -1.33 105.19 113.31 2apt n GLY 97 Ca -0.19 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.54 2apt n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2apt n GLY 98 N 0.00 2.04 3.75 -0.02 0.00 -1.26 -4.95 105.19 104.75 2apt n GLY 98 Ca 0.00 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 2apt n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apt s THR 99 N -1.87 4.26 -0.13 2.61 2.01 -0.44 -5.05 115.64 117.01 2apt s THR 99 Ca 0.30 1.98 0.01 0.00 0.31 0.00 0.00 61.69 64.29 2apt s THR 99 Cb 0.22 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.47 2apt s THR 99 CO 0.11 0.46 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.61 2apt s LEU 100 N -0.87 1.62 -0.47 4.42 1.43 -1.26 -3.76 118.68 119.80 2apt s LEU 100 Ca 0.41 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 2apt s LEU 100 Cb -0.25 -1.09 0.12 0.00 0.03 0.00 0.00 46.19 45.00 2apt s LEU 100 CO 0.30 -0.04 0.25 -0.47 0.23 0.00 0.00 176.35 176.61 2apt s TYR 101 N 1.34 3.53 0.39 0.29 6.14 0.12 -4.94 117.35 124.22 2apt s TYR 101 Ca 0.01 -2.68 -0.23 0.00 0.64 0.00 0.00 57.07 54.81 2apt s TYR 101 Cb -0.13 -3.13 -0.10 0.00 0.42 0.00 0.00 41.96 39.02 2apt s TYR 101 CO -0.07 -0.91 0.98 -0.06 0.64 0.00 0.00 175.55 176.13 2apt s PHE 108 N 0.63 3.40 0.98 4.97 0.40 -1.26 -1.63 117.98 125.47 2apt s PHE 108 Ca 0.12 1.67 -0.17 0.00 -0.60 0.00 0.00 56.93 57.96 2apt s PHE 108 Cb -0.22 -2.96 0.23 0.00 0.51 0.00 0.00 43.02 40.58 2apt s PHE 108 CO -0.04 -0.20 1.23 0.41 0.70 0.00 0.00 175.22 177.32 2apt n GLY 109 N 0.04 -1.75 0.00 4.36 0.00 0.75 -4.74 105.19 103.86 2apt n GLY 109 Ca 0.05 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.52 2apt n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2apt n ALA 110 N -4.02 3.60 0.00 4.61 0.00 -1.26 -4.81 120.51 118.62 2apt n ALA 110 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2apt n ALA 110 Cb 0.55 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2apt n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2apt n GLY 111 N 1.49 2.44 3.05 0.00 0.00 -1.26 -5.04 105.19 105.87 2apt n GLY 111 Ca 0.05 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 2apt n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2apt s THR 112 N -2.09 1.67 -0.17 2.61 2.01 0.55 -4.75 115.64 115.46 2apt s THR 112 Ca 0.00 -0.71 -0.26 0.00 0.31 0.00 0.00 61.69 61.03 2apt s THR 112 Cb 0.00 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 2apt s THR 112 CO 0.00 0.47 0.88 -0.13 -0.69 0.00 0.00 174.62 175.15 2apt s ARG 113 N 1.30 4.31 -0.11 4.92 0.52 -0.54 -0.63 118.95 128.71 2apt s ARG 113 Ca 0.01 1.10 0.03 0.00 -0.52 0.00 0.00 55.73 56.36 2apt s ARG 113 Cb -0.13 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.76 2apt s ARG 113 CO -0.08 -0.35 -0.23 -1.17 0.02 0.00 0.00 175.30 173.48 2apt s LEU 114 N 2.22 2.09 -0.14 2.53 2.96 -0.58 -1.25 118.68 126.52 2apt s LEU 114 Ca 0.40 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2apt s LEU 114 Cb -0.17 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.11 2apt s LEU 114 CO 0.13 0.13 -0.21 -0.55 -1.32 0.00 0.00 176.35 174.53 2apt s SER 115 N 0.50 3.24 -0.21 3.68 0.15 -0.18 -2.18 113.70 118.70 2apt s SER 115 Ca -0.15 -0.57 -0.03 0.00 0.70 0.00 0.00 55.95 55.90 2apt s SER 115 Cb -0.17 -1.47 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 2apt s SER 115 CO 0.05 0.09 -0.06 -0.69 1.20 0.00 0.00 173.24 173.83 2apt s VAL 116 N 0.79 3.28 -2.94 4.45 1.01 -1.26 0.09 120.40 125.81 2apt s VAL 116 Ca -0.07 -0.53 0.24 0.00 0.00 0.00 0.00 61.98 61.62 2apt s VAL 116 Cb -0.16 -2.48 0.23 0.00 0.00 0.00 0.00 36.38 33.97 2apt s VAL 116 CO -0.01 0.44 1.31 0.18 0.00 0.00 0.00 175.10 177.02