#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yub n SER 2 N 0.00 0.00 -4.89 1.61 7.64 -1.26 -4.77 113.62 111.95 2yub n SER 2 Ca 0.00 0.37 -0.22 0.00 1.01 0.00 0.00 58.87 60.04 2yub n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2yub n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yub s SER 3 N -2.82 4.99 0.00 6.43 1.04 -1.26 -5.13 113.70 116.95 2yub s SER 3 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2yub s SER 3 Cb 0.00 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2yub s SER 3 CO 0.00 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2yub n GLY 4 N -1.63 2.36 2.72 7.32 0.00 -1.26 -5.06 105.19 109.64 2yub n GLY 4 Ca 0.04 0.23 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 2yub n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yub s SER 5 N 0.00 -1.00 -1.57 1.61 0.01 -1.26 -4.96 113.70 106.52 2yub s SER 5 Ca 0.00 -1.90 -0.04 0.00 1.31 0.00 0.00 55.95 55.31 2yub s SER 5 Cb 0.00 1.54 0.04 0.00 0.21 0.00 0.00 66.02 67.81 2yub s SER 5 CO 0.00 -0.07 0.20 -1.54 0.41 0.00 0.00 173.24 172.24 2yub n SER 6 N 2.99 0.13 0.00 2.44 3.41 -1.26 -4.80 113.62 116.52 2yub n SER 6 Ca 0.19 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 2yub n SER 6 Cb 0.55 -1.95 0.00 0.00 -0.26 0.00 0.00 64.21 62.55 2yub n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yub n GLY 7 N -2.21 -0.24 0.11 5.00 0.00 -1.26 -5.05 105.19 101.54 2yub n GLY 7 Ca -0.25 0.64 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 2yub n GLY 7 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2yub h VAL 8 N 0.00 1.19 -2.85 1.61 -1.51 -1.97 -3.47 116.25 109.24 2yub h VAL 8 Ca 0.00 -2.85 -0.42 0.00 -1.23 0.00 0.00 66.70 62.20 2yub h VAL 8 Cb 0.00 2.75 0.22 0.00 -2.13 0.00 0.00 31.29 32.13 2yub h VAL 8 CO 0.00 0.81 -0.30 0.00 -1.23 0.00 0.00 177.57 176.86 2yub n GLN 9 N -3.42 -2.81 -3.89 5.19 3.00 -1.26 -4.99 117.38 109.20 2yub n GLN 9 Ca -0.15 -0.80 -0.35 0.00 -0.01 0.00 0.00 57.00 55.68 2yub n GLN 9 Cb 1.03 -1.99 -0.13 0.00 0.00 0.00 0.00 30.24 29.15 2yub n GLN 9 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 2yub s ASP 10 N -2.35 4.66 -0.16 1.08 1.47 -1.26 -5.08 116.67 115.03 2yub s ASP 10 Ca 0.64 -0.30 -0.08 0.00 1.18 0.00 0.00 52.55 54.00 2yub s ASP 10 Cb -0.20 -1.81 0.06 0.00 -0.34 0.00 0.00 42.92 40.63 2yub s ASP 10 CO 0.63 -0.01 0.37 0.00 0.68 0.00 0.00 175.17 176.84 2yub s GLN 11 N 1.43 0.33 0.57 2.11 -2.07 -1.26 -5.12 119.66 115.67 2yub s GLN 11 Ca 0.05 0.76 0.00 0.00 -1.82 0.00 0.00 55.36 54.35 2yub s GLN 11 Cb -0.15 -0.01 0.00 0.00 -1.09 0.00 0.00 33.01 31.76 2yub s GLN 11 CO -0.00 -0.18 0.00 1.28 -1.32 0.00 0.00 175.29 175.07 2yub n LEU 12 N 4.43 -1.72 -4.68 2.60 4.77 -1.26 -4.93 117.00 116.20 2yub n LEU 12 Ca -0.21 2.83 -0.29 0.00 -0.03 0.00 0.00 56.01 58.31 2yub n LEU 12 Cb 0.54 -3.05 0.17 0.00 -2.33 0.00 0.00 43.42 38.74 2yub n LEU 12 CO 0.08 -0.65 0.65 -2.16 -1.33 0.00 0.00 177.39 173.98 2yub s PRO 13 N -5.18 0.60 -0.29 3.23 0.04 -1.26 -5.08 135.00 127.06 2yub s PRO 13 Ca 0.00 0.59 -0.28 0.00 0.04 0.00 0.00 61.00 61.35 2yub s PRO 13 Cb 0.00 -1.75 0.19 0.00 0.04 0.00 0.00 34.50 32.98 2yub s PRO 13 CO 0.00 -2.63 1.38 -0.47 0.04 0.00 0.00 177.00 175.32 2yub s TYR 14 N -2.95 -0.04 -0.23 0.56 5.04 -1.26 -4.85 117.35 113.61 2yub s TYR 14 Ca 0.65 0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 2yub s TYR 14 Cb -0.18 0.49 0.07 0.00 0.35 0.00 0.00 41.96 42.69 2yub s TYR 14 CO 0.57 -0.03 0.03 -1.54 -1.34 0.00 0.00 175.55 173.24 2yub s SER 15 N -0.74 3.41 0.14 4.32 1.04 -0.88 -5.03 113.70 115.96 2yub s SER 15 Ca 0.08 -1.11 -0.12 0.00 0.48 0.00 0.00 55.95 55.29 2yub s SER 15 Cb -0.02 -0.81 -0.07 0.00 0.10 0.00 0.00 66.02 65.23 2yub s SER 15 CO -0.10 -0.31 0.49 -0.69 0.98 0.00 0.00 173.24 173.61 2yub s VAL 16 N 1.68 4.96 0.03 5.02 1.01 -1.26 -1.09 120.40 130.75 2yub s VAL 16 Ca 0.00 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.67 2yub s VAL 16 Cb -0.18 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2yub s VAL 16 CO -0.11 0.20 -0.20 -0.89 0.00 0.00 0.00 175.10 174.09 2yub s THR 17 N -1.51 1.61 -0.04 3.92 2.01 0.26 -4.93 115.64 116.96 2yub s THR 17 Ca 0.38 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2yub s THR 17 Cb -0.14 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.00 2yub s THR 17 CO 0.19 0.23 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.10 2yub s LEU 18 N -1.05 1.32 -0.13 4.42 1.98 -1.26 -1.20 118.68 122.76 2yub s LEU 18 Ca 0.07 -0.12 0.01 0.00 -2.89 0.00 0.00 54.13 51.20 2yub s LEU 18 Cb -0.09 -0.42 0.02 0.00 0.66 0.00 0.00 46.19 46.36 2yub s LEU 18 CO 0.01 -0.06 -0.15 0.27 -1.89 0.00 0.00 176.35 174.54 2yub s ILE 19 N 0.91 1.54 -0.39 6.68 -0.00 -0.58 -4.99 121.20 124.37 2yub s ILE 19 Ca -0.11 -0.64 0.03 0.00 -0.00 0.00 0.00 60.65 59.94 2yub s ILE 19 Cb -0.14 -1.44 0.11 0.00 -0.00 0.00 0.00 42.46 40.99 2yub s ILE 19 CO 0.00 0.45 0.12 -0.44 -0.00 0.00 0.00 174.94 175.07 2yub s SER 20 N 1.30 4.51 0.02 4.36 0.01 -1.26 -1.14 113.70 121.50 2yub s SER 20 Ca 0.01 -2.35 0.06 0.00 1.31 0.00 0.00 55.95 54.98 2yub s SER 20 Cb -0.14 -1.52 -0.03 0.00 0.21 0.00 0.00 66.02 64.54 2yub s SER 20 CO -0.07 -0.34 -0.16 -0.04 0.41 0.00 0.00 173.24 173.03 2yub s MET 21 N 0.64 2.20 0.12 12.44 1.00 -1.14 -4.95 119.30 129.61 2yub s MET 21 Ca 0.13 -0.90 -0.31 0.00 0.00 0.00 0.00 55.69 54.60 2yub s MET 21 Cb -0.21 -2.25 -0.08 0.00 0.00 0.00 0.00 34.83 32.30 2yub s MET 21 CO -0.07 0.56 1.36 -1.25 0.00 0.00 0.00 175.02 175.62 2yub s PRO 22 N -1.29 4.34 0.00 2.03 0.04 -1.26 0.28 135.00 139.14 2yub s PRO 22 Ca 0.14 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2yub s PRO 22 Cb -0.11 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2yub s PRO 22 CO 0.05 -0.40 0.00 0.00 0.04 0.00 0.00 177.00 176.69 2yub n ALA 23 N 3.80 0.00 -2.19 8.56 0.00 0.13 -4.35 120.51 126.45 2yub n ALA 23 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.57 2yub n ALA 23 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.90 2yub n ALA 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yub n THR 24 N 0.00 0.19 -2.81 0.00 -2.24 -1.26 -4.51 114.28 103.65 2yub n THR 24 Ca 0.00 -0.76 -0.07 0.00 -2.27 0.00 0.00 64.05 60.95 2yub n THR 24 Cb 0.00 0.68 0.02 0.00 -2.10 0.00 0.00 70.33 68.94 2yub n THR 24 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2yub n THR 25 N 0.14 -0.97 -4.68 4.28 -1.04 -1.26 -4.73 114.28 106.01 2yub n THR 25 Ca 0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2yub n THR 25 Cb 0.92 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 2yub n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2yub n GLU 26 N -1.88 0.00 0.00 -2.82 1.02 -1.26 -4.95 120.64 110.74 2yub n GLU 26 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2yub n GLU 26 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2yub n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yub s ARG 28 N 0.00 1.78 0.58 0.00 3.03 -1.26 -4.83 118.95 118.24 2yub s ARG 28 Ca 0.00 1.11 -0.08 0.00 2.03 0.00 0.00 55.73 58.79 2yub s ARG 28 Cb 0.00 -1.85 0.13 0.00 -1.03 0.00 0.00 34.95 32.20 2yub s ARG 28 CO 0.00 -1.96 0.28 2.89 -1.13 0.00 0.00 175.30 175.38 2yub n ARG 29 N -3.73 -1.49 -0.04 3.89 0.00 -1.26 -4.94 116.66 109.10 2yub n ARG 29 Ca 0.09 -0.48 -0.03 0.00 -0.00 0.00 0.00 57.85 57.43 2yub n ARG 29 Cb 0.54 -0.81 -0.06 0.00 -0.00 0.00 0.00 32.46 32.12 2yub n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2yub n GLY 30 N -1.34 -0.38 3.32 2.89 0.00 -1.26 -5.04 105.19 103.37 2yub n GLY 30 Ca 0.05 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 2yub n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yub s PHE 31 N -2.22 1.83 0.18 1.61 -0.71 -1.26 -3.77 117.98 113.65 2yub s PHE 31 Ca -0.04 -0.44 0.06 0.00 -1.04 0.00 0.00 56.93 55.47 2yub s PHE 31 Cb 0.03 -0.96 -0.04 0.00 -1.21 0.00 0.00 43.02 40.84 2yub s PHE 31 CO 0.32 0.28 0.14 -1.54 -1.34 0.00 0.00 175.22 173.08 2yub s SER 32 N -2.30 5.48 0.15 1.98 1.04 -0.68 -5.01 113.70 114.38 2yub s SER 32 Ca 0.11 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.43 2yub s SER 32 Cb -0.08 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 2yub s SER 32 CO 0.06 0.05 -0.11 0.68 0.98 0.00 0.00 173.24 174.89 2yub s VAL 33 N -1.82 1.27 -0.09 5.02 -7.23 -1.26 -2.98 120.40 113.31 2yub s VAL 33 Ca 0.31 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2yub s VAL 33 Cb -0.10 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 2yub s VAL 33 CO 0.23 -0.69 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.36 2yub s THR 34 N -3.15 3.50 -0.21 5.32 2.01 0.79 -4.83 115.64 119.07 2yub s THR 34 Ca 0.17 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 2yub s THR 34 Cb 0.01 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 70.08 2yub s THR 34 CO 0.02 0.56 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.70 2yub s VAL 35 N -0.34 2.67 -0.16 3.82 1.01 -1.26 -2.39 120.40 123.75 2yub s VAL 35 Ca 0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2yub s VAL 35 Cb -0.12 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2yub s VAL 35 CO 0.02 0.42 -0.04 -1.61 0.00 0.00 0.00 175.10 173.90 2yub s GLU 36 N 1.36 3.65 0.00 2.72 2.02 -0.29 -4.96 118.70 123.20 2yub s GLU 36 Ca 0.04 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2yub s GLU 36 Cb -0.14 -2.92 0.00 0.00 0.10 0.00 0.00 34.13 31.16 2yub s GLU 36 CO -0.08 0.21 0.78 -1.13 0.02 0.00 0.00 175.26 175.06 2yub n SER 37 N 3.62 1.49 0.00 -0.19 3.41 -1.26 0.28 113.62 120.96 2yub n SER 37 Ca -0.17 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2yub n SER 37 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2yub n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yub n ALA 38 N -0.30 0.00 -2.36 7.33 0.00 -1.26 -0.39 120.51 123.54 2yub n ALA 38 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2yub n ALA 38 Cb 0.19 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.69 2yub n ALA 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2yub n SER 39 N 4.07 1.20 0.00 0.00 3.41 -1.26 -5.08 113.62 115.97 2yub n SER 39 Ca 0.00 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 2yub n SER 39 Cb 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2yub n SER 39 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yub n SER 40 N 0.15 0.62 -0.00 4.04 2.88 0.48 -5.09 113.62 116.70 2yub n SER 40 Ca 0.09 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2yub n SER 40 Cb 1.05 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.51 2yub n SER 40 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2yub n ASN 41 N 0.00 4.79 -3.61 -3.46 3.02 -1.26 -4.92 115.26 109.82 2yub n ASN 41 Ca 0.00 -0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 2yub n ASN 41 Cb 0.00 0.41 0.17 0.00 -0.61 0.00 0.00 39.78 39.75 2yub n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yub n TYR 42 N -2.10 -3.96 -2.71 3.10 4.11 -1.26 -4.22 117.16 110.12 2yub n TYR 42 Ca -0.00 -1.00 -0.31 0.00 -0.00 0.00 0.00 57.90 56.59 2yub n TYR 42 Cb 0.50 -0.85 -0.03 0.00 -0.00 0.00 0.00 39.34 38.96 2yub n TYR 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2yub s ALA 43 N -3.94 3.26 0.00 -3.48 0.00 -1.26 -4.34 121.76 112.00 2yub s ALA 43 Ca 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2yub s ALA 43 Cb -0.02 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2yub s ALA 43 CO 0.44 -0.08 0.00 -2.37 0.00 0.00 0.00 175.76 173.75 2yub n THR 44 N -1.38 0.00 -3.65 0.00 5.66 0.14 -4.68 114.28 110.38 2yub n THR 44 Ca 0.04 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.89 2yub n THR 44 Cb 0.54 -0.14 -0.08 0.00 -1.55 0.00 0.00 70.33 69.10 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2yub s THR 45 N -1.20 0.01 -0.03 1.09 2.01 -0.99 -4.79 115.64 111.74 2yub s THR 45 Ca 0.00 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.00 2yub s THR 45 Cb 0.00 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 2yub s THR 45 CO 0.00 -0.03 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.01 2yub s VAL 46 N -0.23 1.59 0.04 3.82 1.01 -1.26 -1.13 120.40 124.24 2yub s VAL 46 Ca -0.04 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2yub s VAL 46 Cb -0.03 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2yub s VAL 46 CO 0.03 0.45 -0.07 -1.10 0.00 0.00 0.00 175.10 174.42 2yub s GLN 47 N -0.21 0.49 -0.43 2.72 1.11 -1.00 -3.10 119.66 119.23 2yub s GLN 47 Ca 0.01 -0.74 -0.25 0.00 0.01 0.00 0.00 55.36 54.39 2yub s GLN 47 Cb -0.10 -0.19 0.02 0.00 -1.01 0.00 0.00 33.01 31.73 2yub s GLN 47 CO 0.01 0.02 0.88 0.08 0.01 0.00 0.00 175.29 176.29 2yub s VAL 48 N -1.48 4.56 -0.03 1.09 1.01 -1.13 -0.15 120.40 124.28 2yub s VAL 48 Ca -0.11 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 2yub s VAL 48 Cb -0.09 -4.37 -0.00 0.00 0.00 0.00 0.00 36.38 31.92 2yub s VAL 48 CO -0.00 -0.72 0.06 0.50 0.00 0.00 0.00 175.10 174.94 2yub h LYS 49 N 8.90 -0.02 -5.92 2.72 3.64 -1.86 -2.68 116.57 121.35 2yub h LYS 49 Ca -0.24 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.63 2yub h LYS 49 Cb 1.08 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.70 2yub h LYS 49 CO 0.99 -0.01 -0.80 -1.21 -2.27 0.00 0.00 179.45 176.15 2yub s GLU 50 N -1.30 1.13 -0.14 1.90 0.41 -1.24 -4.70 118.70 114.77 2yub s GLU 50 Ca -0.00 -1.23 -0.08 0.00 -0.41 0.00 0.00 54.97 53.25 2yub s GLU 50 Cb 0.00 -1.26 0.05 0.00 -1.78 0.00 0.00 34.13 31.14 2yub s GLU 50 CO 0.01 0.27 0.33 0.08 -0.49 0.00 0.00 175.26 175.46 2yub s VAL 51 N -1.59 -0.03 -0.22 2.63 1.01 -1.26 -1.68 120.40 119.26 2yub s VAL 51 Ca 0.09 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 2yub s VAL 51 Cb -0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2yub s VAL 51 CO 0.05 0.04 0.07 0.20 0.00 0.00 0.00 175.10 175.46 2yub s ASN 52 N 1.18 5.30 0.47 3.32 0.01 -1.25 -4.92 114.94 119.05 2yub s ASN 52 Ca -0.08 -0.11 0.27 0.00 -0.71 0.00 0.00 52.86 52.23 2yub s ASN 52 Cb -0.08 -1.94 0.75 0.00 0.41 0.00 0.00 41.25 40.39 2yub s ASN 52 CO -0.09 0.04 1.76 0.03 -1.51 0.00 0.00 177.10 177.32 2yub h ARG 53 N 7.69 0.00 0.20 -0.60 3.08 -1.94 -2.64 114.38 120.17 2yub h ARG 53 Ca -0.37 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.40 2yub h ARG 53 Cb 1.18 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.25 2yub h ARG 53 CO 0.61 0.05 -1.29 0.52 -1.07 0.00 0.00 179.97 178.79 2yub h MET 54 N 0.00 0.41 -0.14 0.04 2.86 -1.93 -2.56 114.93 113.61 2yub h MET 54 Ca -0.00 -0.71 -0.12 0.00 -2.06 0.00 0.00 59.70 56.82 2yub h MET 54 Cb 0.82 0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 2yub h MET 54 CO 0.01 1.34 -0.43 0.45 1.06 0.00 0.00 176.91 179.34 2yub h HIS 55 N -0.08 0.39 0.00 -0.22 3.86 -1.92 -3.40 115.15 113.79 2yub h HIS 55 Ca -0.24 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2yub h HIS 55 Cb 1.94 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 30.33 2yub h HIS 55 CO 0.15 0.71 0.00 -0.89 0.86 0.00 0.00 177.93 178.76 2yub n ILE 56 N -4.01 0.00 0.00 2.45 5.41 -1.00 -4.85 119.36 117.36 2yub n ILE 56 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2yub n ILE 56 Cb 0.50 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 39.21 2yub n ILE 56 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2yub n SER 57 N -0.15 0.00 0.00 4.38 7.64 -0.96 -4.97 113.62 119.56 2yub n SER 57 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 2yub n SER 57 Cb 0.00 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 63.62 2yub n SER 57 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2yub n PRO 58 N -0.89 0.34 -0.09 1.43 -0.04 -1.26 -1.18 135.00 133.32 2yub n PRO 58 Ca 0.00 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2yub n PRO 58 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2yub n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2yub n ASN 59 N -1.15 1.84 -0.00 3.54 5.15 -1.26 -4.33 115.26 119.04 2yub n ASN 59 Ca 0.09 0.53 0.14 0.00 -0.60 0.00 0.00 54.58 54.74 2yub n ASN 59 Cb 0.09 -0.90 0.55 0.00 -0.53 0.00 0.00 39.78 38.99 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2yub n ASN 60 N -4.53 0.12 0.18 1.20 3.02 -1.20 -3.52 115.26 110.53 2yub n ASN 60 Ca -0.19 0.29 0.03 0.00 -0.03 0.00 0.00 54.58 54.68 2yub n ASN 60 Cb 0.46 -0.33 0.40 0.00 -0.61 0.00 0.00 39.78 39.70 2yub n ASN 60 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2yub h ARG 61 N 0.02 0.06 0.01 3.52 1.12 -1.34 -1.28 114.38 116.49 2yub h ARG 61 Ca 0.00 -0.02 -0.20 0.00 -1.11 0.00 0.00 59.98 58.65 2yub h ARG 61 Cb 0.49 -0.01 0.02 0.00 -0.01 0.00 0.00 29.97 30.46 2yub h ARG 61 CO 0.00 0.33 -0.80 -0.97 -3.11 0.00 0.00 179.97 175.42 2yub h ASN 62 N 0.06 0.68 0.52 -3.80 -0.73 -1.76 -3.35 115.58 107.19 2yub h ASN 62 Ca 0.01 -0.76 -0.03 0.00 1.87 0.00 0.00 56.30 57.39 2yub h ASN 62 Cb 0.50 -0.21 0.01 0.00 0.27 0.00 0.00 38.32 38.89 2yub h ASN 62 CO 0.04 1.36 -0.25 0.00 -0.37 0.00 0.00 177.43 178.21 2yub h ALA 63 N 0.34 -0.70 -2.10 1.57 0.00 -1.68 -3.45 119.26 113.25 2yub h ALA 63 Ca -0.10 -0.19 -0.45 0.00 0.00 0.00 0.00 54.91 54.16 2yub h ALA 63 Cb 1.49 0.27 0.05 0.00 0.00 0.00 0.00 17.79 19.61 2yub h ALA 63 CO 0.16 -0.77 0.07 -1.50 0.00 0.00 0.00 179.25 177.21 2yub s ILE 64 N -4.99 3.02 0.00 0.00 2.07 -0.50 -4.90 121.20 115.90 2yub s ILE 64 Ca -0.15 -0.39 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 2yub s ILE 64 Cb 0.02 -3.19 0.00 0.00 0.13 0.00 0.00 42.46 39.43 2yub s ILE 64 CO 0.52 -0.16 0.00 1.41 -1.91 0.00 0.00 174.94 174.80 2yub n HIS 65 N -2.50 0.00 -2.12 3.50 8.25 -1.26 -4.68 115.22 116.41 2yub n HIS 65 Ca 0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 2yub n HIS 65 Cb 0.59 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 2yub n HIS 65 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2yub s PRO 66 N -2.00 3.86 0.00 -0.41 0.04 -1.26 -2.99 135.00 132.24 2yub s PRO 66 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2yub s PRO 66 Cb 0.00 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2yub s PRO 66 CO 0.00 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.24 2yub n GLY 67 N 4.54 1.69 0.00 0.56 0.00 -1.01 -5.04 105.19 105.92 2yub n GLY 67 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2yub n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yub n ASP 68 N 0.00 -0.21 -3.73 1.61 -0.08 -1.16 -4.83 116.55 108.15 2yub n ASP 68 Ca 0.00 -0.82 -0.18 0.00 -1.51 0.00 0.00 54.79 52.28 2yub n ASP 68 Cb 0.00 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.29 2yub n ASP 68 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2yub s ARG 69 N -2.76 0.04 -0.24 -0.67 1.70 -1.26 -2.83 118.95 112.92 2yub s ARG 69 Ca 0.00 0.25 -0.29 0.00 -0.47 0.00 0.00 55.73 55.22 2yub s ARG 69 Cb 0.00 -0.46 0.01 0.00 -0.57 0.00 0.00 34.95 33.93 2yub s ARG 69 CO 0.00 -0.25 1.10 0.42 -1.08 0.00 0.00 175.30 175.49 2yub s ILE 70 N 1.63 4.55 -0.14 4.99 1.01 -1.18 -3.76 121.20 128.30 2yub s ILE 70 Ca -0.02 1.86 -0.23 0.00 0.00 0.00 0.00 60.65 62.25 2yub s ILE 70 Cb -0.13 -4.26 -0.25 0.00 0.01 0.00 0.00 42.46 37.83 2yub s ILE 70 CO -0.03 -0.24 0.58 -0.07 0.00 0.00 0.00 174.94 175.19 2yub h LEU 71 N 9.68 0.13 -8.04 2.97 3.38 -1.77 -3.40 115.31 118.25 2yub h LEU 71 Ca -0.21 -0.83 -0.27 0.00 0.09 0.00 0.00 57.88 56.66 2yub h LEU 71 Cb 1.07 -0.04 -0.24 0.00 0.09 0.00 0.00 40.66 41.54 2yub h LEU 71 CO 0.99 1.31 -0.73 -1.61 0.09 0.00 0.00 178.44 178.48 2yub s GLU 72 N -2.33 0.43 -0.18 1.13 2.02 -1.26 -3.06 118.70 115.45 2yub s GLU 72 Ca -0.21 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.26 2yub s GLU 72 Cb 0.01 -0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.01 2yub s GLU 72 CO 0.69 0.05 -0.20 0.42 0.02 0.00 0.00 175.26 176.24 2yub s ILE 73 N -0.96 2.08 0.00 -1.63 1.01 -0.59 -2.38 121.20 118.74 2yub s ILE 73 Ca -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.64 2yub s ILE 73 Cb -0.07 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.53 2yub s ILE 73 CO 0.00 0.54 0.00 0.59 0.00 0.00 0.00 174.94 176.07 2yub n ASN 74 N 4.56 -2.82 0.00 3.58 3.02 -0.09 -2.51 115.26 121.01 2yub n ASN 74 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2yub n ASN 74 Cb 0.50 -1.86 0.00 0.00 -0.61 0.00 0.00 39.78 37.81 2yub n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yub n GLY 75 N -1.26 1.74 2.97 7.41 0.00 -1.26 -4.92 105.19 109.86 2yub n GLY 75 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2yub n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yub s THR 76 N -2.00 0.20 -0.18 2.61 -4.23 -1.04 -5.12 115.64 105.88 2yub s THR 76 Ca 0.00 -0.65 -0.29 0.00 -1.18 0.00 0.00 61.69 59.57 2yub s THR 76 Cb 0.00 -0.28 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 2yub s THR 76 CO 0.00 -0.29 1.58 -2.16 -0.54 0.00 0.00 174.62 173.21 2yub s PRO 77 N -0.99 3.92 0.44 3.99 0.04 -1.26 -1.54 135.00 139.59 2yub s PRO 77 Ca -0.09 1.76 0.22 0.00 0.04 0.00 0.00 61.00 62.93 2yub s PRO 77 Cb -0.07 -3.99 1.01 0.00 0.04 0.00 0.00 34.50 31.49 2yub s PRO 77 CO -0.00 -1.14 1.88 -0.39 0.04 0.00 0.00 177.00 177.39 2yub h VAL 78 N 5.96 0.75 0.00 -0.36 -1.51 -1.88 -1.57 116.25 117.64 2yub h VAL 78 Ca -0.34 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 2yub h VAL 78 Cb 1.15 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 2yub h VAL 78 CO 0.99 0.25 0.00 -2.11 -1.23 0.00 0.00 177.57 175.46 2yub n ARG 79 N -3.61 0.08 -0.01 5.19 1.85 -1.26 -2.64 116.66 116.25 2yub n ARG 79 Ca -0.01 0.48 -0.01 0.00 -1.00 0.00 0.00 57.85 57.31 2yub n ARG 79 Cb 0.38 -1.71 -0.01 0.00 -1.05 0.00 0.00 32.46 30.07 2yub n ARG 79 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2yub n THR 80 N -1.86 0.11 -1.87 8.89 -2.24 -0.93 -4.78 114.28 111.61 2yub n THR 80 Ca 0.01 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 2yub n THR 80 Cb 0.08 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.38 2yub n THR 80 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2yub s LEU 81 N -4.27 3.45 0.58 3.22 1.43 -0.64 -4.83 118.68 117.63 2yub s LEU 81 Ca -0.01 1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 54.20 2yub s LEU 81 Cb 0.01 -3.28 -0.11 0.00 0.03 0.00 0.00 46.19 42.83 2yub s LEU 81 CO 0.06 -1.97 0.19 0.54 0.23 0.00 0.00 176.35 175.40 2yub n ARG 82 N 8.66 0.25 -0.37 1.70 5.12 -1.26 -3.98 116.66 126.78 2yub n ARG 82 Ca 0.26 0.10 -0.07 0.00 -1.93 0.00 0.00 57.85 56.21 2yub n ARG 82 Cb 0.48 -1.39 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 2yub n ARG 82 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2yub h VAL 83 N -0.00 0.01 -1.03 1.55 2.07 -1.79 0.90 116.25 117.96 2yub h VAL 83 Ca -0.44 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.34 2yub h VAL 83 Cb 1.41 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 31.09 2yub h VAL 83 CO 0.43 0.00 0.64 1.05 0.02 0.00 0.00 177.57 179.71 2yub h GLU 84 N -0.04 0.46 -0.18 1.57 4.11 -1.88 0.98 114.58 119.61 2yub h GLU 84 Ca 0.24 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.57 2yub h GLU 84 Cb 0.51 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2yub h GLU 84 CO -0.92 0.31 -0.17 0.93 0.07 0.00 0.00 179.01 179.22 2yub h GLU 85 N 0.48 0.43 0.00 1.06 3.07 0.46 0.21 114.58 120.30 2yub h GLU 85 Ca 0.61 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 59.21 2yub h GLU 85 Cb 1.37 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.28 2yub h GLU 85 CO -0.35 0.79 -0.15 0.28 -1.40 0.00 0.00 179.01 178.17 2yub h VAL 86 N 0.09 1.02 0.07 3.13 2.07 0.85 -2.38 116.25 121.11 2yub h VAL 86 Ca 0.03 -0.53 -0.20 0.00 0.82 0.00 0.00 66.70 66.82 2yub h VAL 86 Cb 0.71 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2yub h VAL 86 CO 0.04 0.15 -1.00 -0.33 0.02 0.00 0.00 177.57 176.46 2yub h GLU 87 N 0.00 0.15 -0.47 1.57 4.39 -0.81 -3.36 114.58 116.05 2yub h GLU 87 Ca -0.00 -0.26 0.09 0.00 0.34 0.00 0.00 59.36 59.53 2yub h GLU 87 Cb 0.28 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 28.94 2yub h GLU 87 CO 0.02 1.12 -0.09 -0.44 -1.16 0.00 0.00 179.01 178.47 2yub h ASP 88 N -0.60 -0.38 -0.86 1.42 3.32 -0.44 -0.90 116.42 117.98 2yub h ASP 88 Ca -0.22 0.13 0.22 0.00 0.02 0.00 0.00 57.03 57.18 2yub h ASP 88 Cb 1.49 0.27 -0.15 0.00 0.22 0.00 0.00 39.33 41.17 2yub h ASP 88 CO 0.01 -0.13 0.14 0.00 -1.72 0.00 0.00 179.24 177.54 2yub h ALA 89 N 1.46 1.13 -0.57 3.45 0.00 -1.59 0.29 119.26 123.44 2yub h ALA 89 Ca 0.23 0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.30 2yub h ALA 89 Cb 0.35 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2yub h ALA 89 CO -0.46 -0.47 0.04 0.82 0.00 0.00 0.00 179.25 179.17 2yub h ILE 90 N 0.15 1.26 -0.90 0.00 1.08 -1.33 -2.77 117.51 115.00 2yub h ILE 90 Ca 0.52 -1.07 0.20 0.00 -0.39 0.00 0.00 64.86 64.13 2yub h ILE 90 Cb 1.03 0.84 -0.07 0.00 -3.07 0.00 0.00 36.82 35.55 2yub h ILE 90 CO -0.70 0.38 0.60 0.11 -0.69 0.00 0.00 178.15 177.85 2yub h LYS 91 N 0.86 0.41 -5.71 2.37 1.79 0.12 -3.40 116.57 113.01 2yub h LYS 91 Ca 0.17 -0.02 -0.57 0.00 -2.18 0.00 0.00 60.65 58.04 2yub h LYS 91 Cb 0.49 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 2yub h LYS 91 CO 0.02 0.27 1.55 1.04 -1.08 0.00 0.00 179.45 181.25 2yub n GLN 92 N -4.52 0.97 -0.86 3.15 1.13 -0.93 -4.79 117.38 111.53 2yub n GLN 92 Ca 0.19 0.18 -0.04 0.00 -1.94 0.00 0.00 57.00 55.39 2yub n GLN 92 Cb 0.69 -2.68 0.19 0.00 0.11 0.00 0.00 30.24 28.55 2yub n GLN 92 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2yub n THR 93 N 7.56 2.50 -1.94 5.09 -2.24 -1.26 -4.49 114.28 119.50 2yub n THR 93 Ca 0.43 -2.99 0.00 0.00 -2.27 0.00 0.00 64.05 59.22 2yub n THR 93 Cb 0.31 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2yub n THR 93 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2yub n SER 94 N -1.09 0.00 -4.02 3.42 3.41 -1.26 -4.19 113.62 109.88 2yub n SER 94 Ca 0.32 -1.41 -0.08 0.00 -0.26 0.00 0.00 58.87 57.44 2yub n SER 94 Cb 0.94 -0.08 -0.09 0.00 -0.26 0.00 0.00 64.21 64.72 2yub n SER 94 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2yub s GLN 95 N 0.00 0.68 -0.20 4.33 -0.21 -1.26 -4.74 119.66 118.26 2yub s GLN 95 Ca 0.00 -1.15 -0.29 0.00 0.02 0.00 0.00 55.36 53.95 2yub s GLN 95 Cb 0.00 0.25 -0.05 0.00 1.00 0.00 0.00 33.01 34.21 2yub s GLN 95 CO 0.00 -0.16 2.03 0.99 -2.12 0.00 0.00 175.29 176.03 2yub s THR 96 N -3.91 3.18 -0.45 -0.19 2.01 -1.26 0.22 115.64 115.25 2yub s THR 96 Ca 0.07 0.20 -0.22 0.00 0.31 0.00 0.00 61.69 62.04 2yub s THR 96 Cb 0.07 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.39 2yub s THR 96 CO -0.10 -0.12 0.74 -0.22 -0.69 0.00 0.00 174.62 174.23 2yub s LEU 97 N 7.06 4.34 -0.15 4.42 2.96 0.14 -4.85 118.68 132.62 2yub s LEU 97 Ca 0.91 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 54.51 2yub s LEU 97 Cb -0.31 -2.88 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 2yub s LEU 97 CO 0.35 -0.87 0.24 -1.58 -1.32 0.00 0.00 176.35 173.17 2yub s GLN 98 N 3.13 4.06 -0.07 1.98 0.74 -1.26 -2.86 119.66 125.37 2yub s GLN 98 Ca 0.27 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.70 2yub s GLN 98 Cb -0.13 -3.36 0.02 0.00 1.10 0.00 0.00 33.01 30.64 2yub s GLN 98 CO 0.21 0.39 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.79 2yub s LEU 99 N 0.02 1.10 -0.51 3.68 1.43 -0.29 -0.91 118.68 123.19 2yub s LEU 99 Ca 0.15 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 2yub s LEU 99 Cb -0.13 -0.60 0.12 0.00 0.03 0.00 0.00 46.19 45.61 2yub s LEU 99 CO 0.03 -0.10 0.44 -0.22 0.23 0.00 0.00 176.35 176.74 2yub s LEU 100 N 1.43 5.99 0.02 1.79 2.96 -1.00 -1.52 118.68 128.34 2yub s LEU 100 Ca -0.02 -1.77 -0.12 0.00 -0.22 0.00 0.00 54.13 51.99 2yub s LEU 100 Cb -0.13 -2.15 -0.06 0.00 0.50 0.00 0.00 46.19 44.35 2yub s LEU 100 CO -0.03 -0.79 0.39 -0.63 -1.32 0.00 0.00 176.35 173.96 2yub s ILE 101 N 1.54 5.09 -0.20 6.68 -1.09 -0.34 -2.14 121.20 130.73 2yub s ILE 101 Ca 0.04 0.66 -0.09 0.00 -2.23 0.00 0.00 60.65 59.02 2yub s ILE 101 Cb -0.28 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 2yub s ILE 101 CO 0.02 0.48 0.11 -0.70 -1.23 0.00 0.00 174.94 173.62 2yub s GLU 102 N -1.37 4.06 -0.20 2.79 -6.30 -1.25 -0.57 118.70 115.86 2yub s GLU 102 Ca 0.26 -0.29 0.00 0.00 -2.50 0.00 0.00 54.97 52.45 2yub s GLU 102 Cb -0.15 -3.36 0.02 0.00 0.00 0.00 0.00 34.13 30.64 2yub s GLU 102 CO 0.14 0.22 -0.16 -1.01 0.02 0.00 0.00 175.26 174.47 2yub s HIS 103 N 0.57 2.88 0.23 5.30 3.76 -0.25 -4.72 115.29 123.05 2yub s HIS 103 Ca 0.06 -1.64 -0.08 0.00 -0.15 0.00 0.00 55.06 53.25 2yub s HIS 103 Cb -0.12 -1.95 -0.07 0.00 1.11 0.00 0.00 32.58 31.55 2yub s HIS 103 CO 0.00 -0.78 0.53 0.16 -0.85 0.00 0.00 174.74 173.80 2yub s ASP 104 N 1.29 6.57 0.03 1.40 1.47 -1.26 -2.06 116.67 124.11 2yub s ASP 104 Ca 0.03 0.83 -0.21 0.00 1.18 0.00 0.00 52.55 54.39 2yub s ASP 104 Cb -0.14 -2.19 -0.15 0.00 -0.34 0.00 0.00 42.92 40.10 2yub s ASP 104 CO -0.10 -0.09 1.34 1.55 0.68 0.00 0.00 175.17 178.55 2yub h PRO 105 N 2.38 0.32 -4.13 2.11 0.13 -1.95 -3.46 132.00 127.40 2yub h PRO 105 Ca -0.47 -0.17 -0.44 0.00 -0.87 0.00 0.00 66.00 64.05 2yub h PRO 105 Cb 1.17 0.01 0.09 0.00 0.13 0.00 0.00 31.00 32.40 2yub h PRO 105 CO 0.69 0.71 -0.51 1.55 -0.23 0.00 0.00 178.00 180.21 2yub n VAL 106 N -4.59 0.92 -1.53 1.56 3.14 -1.26 -4.87 118.33 111.70 2yub n VAL 106 Ca -0.06 -0.34 -0.32 0.00 -2.96 0.00 0.00 64.34 60.65 2yub n VAL 106 Cb 0.35 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.20 2yub n VAL 106 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2yub s PRO 107 N -0.69 2.55 0.00 1.45 0.04 -1.26 -4.97 135.00 132.12 2yub s PRO 107 Ca 0.42 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 2yub s PRO 107 Cb -0.54 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 2yub s PRO 107 CO 0.41 -1.43 1.39 -1.14 0.04 0.00 0.00 177.00 176.27 2yub s GLN 108 N -4.47 4.29 -0.91 4.56 0.74 -1.26 -4.90 119.66 117.70 2yub s GLN 108 Ca 0.64 1.96 -0.25 0.00 0.05 0.00 0.00 55.36 57.76 2yub s GLN 108 Cb -0.19 -3.56 -0.09 0.00 1.10 0.00 0.00 33.01 30.28 2yub s GLN 108 CO 0.48 -0.56 2.09 0.50 -0.55 0.00 0.00 175.29 177.25 2yub s ARG 109 N 2.33 2.19 0.00 1.67 3.00 -1.26 -4.90 118.95 121.97 2yub s ARG 109 Ca 0.64 -0.18 0.00 0.00 -1.00 0.00 0.00 55.73 55.19 2yub s ARG 109 Cb -0.31 -5.00 0.00 0.00 0.00 0.00 0.00 34.95 29.64 2yub s ARG 109 CO 0.26 -3.89 0.00 -0.11 0.00 0.00 0.00 175.30 171.57 2yub n LEU 110 N 15.72 0.00 0.00 -0.88 0.00 -1.26 -5.11 117.00 125.47 2yub n LEU 110 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.44 2yub n LEU 110 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.88 2yub n LEU 110 CO 0.59 -0.05 0.00 -0.67 0.00 0.00 0.00 177.39 177.26 2yub n ASP 111 N -0.28 -0.25 -2.73 1.96 2.03 -1.26 -5.02 116.55 111.00 2yub n ASP 111 Ca 0.00 -0.03 -0.04 0.00 0.52 0.00 0.00 54.79 55.23 2yub n ASP 111 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 2yub n ASP 111 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2yub n GLN 112 N -0.29 1.40 -3.51 -0.67 0.00 -1.26 -5.04 117.38 108.01 2yub n GLN 112 Ca 0.00 -2.67 -0.29 0.00 -0.00 0.00 0.00 57.00 54.04 2yub n GLN 112 Cb 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 30.24 29.28 2yub n GLN 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2yub s SER 113 N -2.62 3.32 0.37 1.69 0.01 -1.26 -5.14 113.70 110.08 2yub s SER 113 Ca 0.22 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.87 2yub s SER 113 Cb 0.40 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2yub s SER 113 CO -0.04 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2yub n GLY 114 N 4.81 -0.66 3.56 3.44 0.00 -1.26 -4.92 105.19 110.15 2yub n GLY 114 Ca 0.01 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 2yub n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yub s PRO 115 N -1.03 2.59 1.15 1.61 0.04 -1.26 -4.97 135.00 133.12 2yub s PRO 115 Ca 0.00 0.14 -0.17 0.00 0.04 0.00 0.00 61.00 61.01 2yub s PRO 115 Cb 0.00 -4.74 0.23 0.00 0.04 0.00 0.00 34.50 30.03 2yub s PRO 115 CO 0.00 -3.07 0.49 0.43 0.04 0.00 0.00 177.00 174.89 2yub n SER 116 N 13.40 -3.25 -2.86 6.66 7.64 -1.26 -4.59 113.62 129.37 2yub n SER 116 Ca 0.31 -0.50 -0.03 0.00 1.01 0.00 0.00 58.87 59.66 2yub n SER 116 Cb 0.49 -0.86 -0.02 0.00 -1.01 0.00 0.00 64.21 62.81 2yub n SER 116 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yub n SER 117 N -2.70 -4.45 0.00 6.43 7.64 -1.26 -5.31 113.62 113.97 2yub n SER 117 Ca 0.07 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2yub n SER 117 Cb 0.44 -3.44 0.00 0.00 -1.01 0.00 0.00 64.21 60.20 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64