#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yub s SER 2 N 0.00 -0.55 -0.17 1.61 1.04 -1.26 -5.16 113.70 109.22 2yub s SER 2 Ca 0.00 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.38 2yub s SER 2 Cb 0.00 1.08 -0.03 0.00 0.10 0.00 0.00 66.02 67.17 2yub s SER 2 CO 0.00 -0.17 0.00 -0.55 0.98 0.00 0.00 173.24 173.50 2yub s SER 3 N 0.65 5.11 0.00 7.02 0.15 -1.26 -5.11 113.70 120.26 2yub s SER 3 Ca -0.01 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2yub s SER 3 Cb -0.05 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 2yub s SER 3 CO -0.09 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2yub n GLY 4 N 3.55 0.14 0.00 9.45 0.00 -1.26 -5.13 105.19 111.95 2yub n GLY 4 Ca -0.17 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2yub n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yub n SER 5 N 0.00 0.00 -4.35 1.61 2.88 -1.26 -5.18 113.62 107.32 2yub n SER 5 Ca 0.00 -0.23 -0.19 0.00 -1.33 0.00 0.00 58.87 57.12 2yub n SER 5 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2yub n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yub s SER 6 N 1.31 2.63 -0.48 -3.46 0.01 -1.26 -5.11 113.70 107.34 2yub s SER 6 Ca 0.00 -1.01 -0.17 0.00 1.31 0.00 0.00 55.95 56.08 2yub s SER 6 Cb 0.00 -0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.14 2yub s SER 6 CO 0.00 -0.15 0.50 -0.83 0.41 0.00 0.00 173.24 173.17 2yub s GLY 7 N -3.28 1.91 0.92 3.44 0.00 -1.26 -5.06 107.32 103.99 2yub s GLY 7 Ca 0.22 -1.86 -0.11 0.00 0.00 0.00 0.00 44.72 42.97 2yub s GLY 7 CO 0.07 1.25 1.09 -1.34 0.00 0.00 0.00 173.10 174.17 2yub s VAL 8 N 2.14 2.54 0.80 1.40 -7.23 -1.26 -5.02 120.40 113.77 2yub s VAL 8 Ca 0.10 0.17 -0.12 0.00 -1.81 0.00 0.00 61.98 60.33 2yub s VAL 8 Cb -0.21 -2.50 0.07 0.00 0.56 0.00 0.00 36.38 34.31 2yub s VAL 8 CO 0.10 -0.23 1.11 0.00 -0.31 0.00 0.00 175.10 175.77 2yub s GLN 9 N -4.80 2.05 -0.75 4.82 -2.07 -1.26 -5.02 119.66 112.64 2yub s GLN 9 Ca 0.65 0.55 0.03 0.00 -1.82 0.00 0.00 55.36 54.77 2yub s GLN 9 Cb -0.20 -1.92 0.23 0.00 -1.09 0.00 0.00 33.01 30.02 2yub s GLN 9 CO 0.58 -1.62 0.75 -0.25 -1.32 0.00 0.00 175.29 173.43 2yub n ASP 10 N -3.42 3.87 -2.44 12.60 8.00 -1.26 -4.84 116.55 129.06 2yub n ASP 10 Ca 0.07 -3.32 -0.16 0.00 0.71 0.00 0.00 54.79 52.09 2yub n ASP 10 Cb 0.57 -0.82 0.03 0.00 -0.02 0.00 0.00 41.12 40.88 2yub n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yub n GLN 11 N 1.48 2.67 -1.08 -1.24 6.02 -1.26 -5.10 117.38 118.86 2yub n GLN 11 Ca 0.25 -3.91 -0.34 0.00 -0.01 0.00 0.00 57.00 52.99 2yub n GLN 11 Cb 0.38 -1.93 0.11 0.00 1.02 0.00 0.00 30.24 29.82 2yub n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2yub n LEU 12 N -0.53 2.20 0.00 1.08 4.32 -1.26 -5.01 117.00 117.80 2yub n LEU 12 Ca 0.27 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.79 2yub n LEU 12 Cb 0.84 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 2yub n LEU 12 CO 0.27 -2.60 0.00 -0.81 -1.22 0.00 0.00 177.39 173.04 2yub n PRO 13 N -2.09 -0.68 -1.73 3.23 -0.04 -1.26 -5.08 135.00 127.35 2yub n PRO 13 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2yub n PRO 13 Cb 0.51 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.03 2yub n PRO 13 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2yub n TYR 14 N -2.18 -3.07 -4.02 0.54 0.18 -1.26 -5.11 117.16 102.24 2yub n TYR 14 Ca 0.00 -0.98 -0.28 0.00 1.88 0.00 0.00 57.90 58.52 2yub n TYR 14 Cb 0.00 -0.38 -0.05 0.00 -0.38 0.00 0.00 39.34 38.53 2yub n TYR 14 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2yub s SER 15 N -3.17 5.82 0.29 9.48 1.04 -1.24 -4.98 113.70 120.94 2yub s SER 15 Ca 0.36 0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.89 2yub s SER 15 Cb -0.02 -1.63 -0.04 0.00 0.10 0.00 0.00 66.02 64.43 2yub s SER 15 CO 0.23 0.10 0.07 0.68 0.98 0.00 0.00 173.24 175.31 2yub s VAL 16 N -1.63 3.42 -0.01 5.02 -7.23 -1.26 -0.46 120.40 118.24 2yub s VAL 16 Ca 0.32 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 2yub s VAL 16 Cb -0.11 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 33.86 2yub s VAL 16 CO 0.25 -0.30 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.72 2yub s THR 17 N -2.34 0.98 0.09 5.32 2.01 0.11 -4.89 115.64 116.93 2yub s THR 17 Ca 0.34 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.88 2yub s THR 17 Cb -0.05 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 2yub s THR 17 CO 0.21 0.28 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.01 2yub s LEU 18 N -0.27 2.29 -0.21 4.42 2.96 -1.26 -0.82 118.68 125.79 2yub s LEU 18 Ca 0.04 -0.67 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 2yub s LEU 18 Cb -0.05 -0.80 0.08 0.00 0.50 0.00 0.00 46.19 45.92 2yub s LEU 18 CO -0.00 0.03 0.13 0.27 -1.32 0.00 0.00 176.35 175.45 2yub s ILE 19 N -1.18 -0.13 -0.60 6.68 -0.00 -1.00 -4.99 121.20 119.99 2yub s ILE 19 Ca 0.04 -0.34 -0.16 0.00 -0.00 0.00 0.00 60.65 60.20 2yub s ILE 19 Cb -0.10 -0.72 0.14 0.00 -0.00 0.00 0.00 42.46 41.79 2yub s ILE 19 CO 0.04 -0.41 0.57 -0.44 -0.00 0.00 0.00 174.94 174.71 2yub s SER 20 N 2.16 6.30 0.03 4.36 0.01 -1.26 -2.98 113.70 122.32 2yub s SER 20 Ca 0.05 -1.93 0.08 0.00 1.31 0.00 0.00 55.95 55.46 2yub s SER 20 Cb -0.16 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2yub s SER 20 CO -0.18 -0.83 -0.23 0.00 0.41 0.00 0.00 173.24 172.41 2yub s MET 21 N 1.44 1.57 1.00 12.44 0.23 -1.20 -5.01 119.30 129.77 2yub s MET 21 Ca 0.07 -0.97 -0.12 0.00 -1.03 0.00 0.00 55.69 53.64 2yub s MET 21 Cb -0.26 -1.68 0.19 0.00 -1.53 0.00 0.00 34.83 31.55 2yub s MET 21 CO 0.01 0.44 1.09 -1.25 -2.03 0.00 0.00 175.02 173.28 2yub s PRO 22 N -1.09 0.44 0.00 3.16 0.04 -1.26 -0.22 135.00 136.07 2yub s PRO 22 Ca 0.09 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2yub s PRO 22 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2yub s PRO 22 CO 0.01 -2.73 0.00 0.00 0.04 0.00 0.00 177.00 174.33 2yub n ALA 23 N -4.18 0.00 0.00 8.56 0.00 -0.97 -4.54 120.51 119.38 2yub n ALA 23 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2yub n ALA 23 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.78 0.00 -3.83 0.00 -2.24 -0.68 -4.98 114.28 101.77 2yub n THR 24 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2yub n THR 24 Cb 0.00 -0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.00 2yub n THR 24 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2yub s THR 25 N -1.74 0.00 0.57 4.28 2.01 -0.87 -5.00 115.64 114.90 2yub s THR 25 Ca 0.00 -0.80 0.36 0.00 0.31 0.00 0.00 61.69 61.57 2yub s THR 25 Cb 0.00 -2.63 0.53 0.00 0.01 0.00 0.00 72.50 70.41 2yub s THR 25 CO 0.00 0.00 1.66 -0.33 -0.69 0.00 0.00 174.62 175.26 2yub h GLU 26 N 2.00 0.00 -0.01 4.92 5.08 -1.96 -3.21 114.58 121.41 2yub h GLU 26 Ca -0.28 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.37 2yub h GLU 26 Cb 1.24 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.30 2yub h GLU 26 CO 0.34 0.00 0.17 0.00 -1.00 0.00 0.00 179.01 178.52 2yub n ARG 28 N 5.15 0.00 -1.02 0.00 3.00 -1.26 -5.03 116.66 117.49 2yub n ARG 28 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2yub n ARG 28 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 32.46 32.87 2yub n ARG 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2yub n ARG 29 N -2.86 -2.20 0.00 -0.14 0.63 -1.26 -4.95 116.66 105.87 2yub n ARG 29 Ca 0.00 1.78 0.07 0.00 -0.92 0.00 0.00 57.85 58.78 2yub n ARG 29 Cb 0.00 -1.69 0.01 0.00 0.45 0.00 0.00 32.46 31.23 2yub n ARG 29 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2yub n GLY 30 N 0.53 -0.09 3.39 5.14 0.00 -1.26 -5.02 105.19 107.88 2yub n GLY 30 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.57 -0.25 0.28 1.61 -0.71 -1.26 -1.58 117.98 114.51 2yub s PHE 31 Ca 0.12 -0.05 0.11 0.00 -1.04 0.00 0.00 56.93 56.06 2yub s PHE 31 Cb 0.11 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.22 2yub s PHE 31 CO 0.31 -0.79 -0.12 -1.12 -1.34 0.00 0.00 175.22 172.16 2yub s SER 32 N -2.81 3.94 0.03 1.98 0.01 -0.54 -5.02 113.70 111.29 2yub s SER 32 Ca 0.04 -0.91 0.02 0.00 1.31 0.00 0.00 55.95 56.41 2yub s SER 32 Cb 0.01 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.73 2yub s SER 32 CO -0.10 -0.00 -0.07 0.68 0.41 0.00 0.00 173.24 174.17 2yub s VAL 33 N -2.46 0.46 -0.19 3.43 -7.23 -1.26 -2.63 120.40 110.52 2yub s VAL 33 Ca 0.31 -0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 59.60 2yub s VAL 33 Cb -0.05 -0.50 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 2yub s VAL 33 CO 0.17 -0.27 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.77 2yub s THR 34 N -1.06 3.72 -0.22 5.32 2.01 -0.39 -4.79 115.64 120.22 2yub s THR 34 Ca -0.08 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.45 2yub s THR 34 Cb -0.08 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 2yub s THR 34 CO 0.00 0.45 0.09 -0.69 -0.69 0.00 0.00 174.62 173.78 2yub s VAL 35 N 0.93 4.76 -0.16 3.82 1.01 -1.26 -1.04 120.40 128.46 2yub s VAL 35 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 2yub s VAL 35 Cb -0.14 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 2yub s VAL 35 CO 0.01 0.39 -0.14 -1.61 0.00 0.00 0.00 175.10 173.75 2yub s GLU 36 N 0.98 3.24 -0.12 2.72 2.02 -0.28 -5.03 118.70 122.23 2yub s GLU 36 Ca 0.05 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 2yub s GLU 36 Cb -0.14 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 2yub s GLU 36 CO 0.03 0.01 -0.06 0.45 0.02 0.00 0.00 175.26 175.71 2yub s SER 37 N 0.85 4.62 0.00 -0.19 0.15 -1.26 -2.51 113.70 115.35 2yub s SER 37 Ca -0.04 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2yub s SER 37 Cb -0.15 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 2yub s SER 37 CO -0.00 0.24 0.40 0.00 1.20 0.00 0.00 173.24 175.08 2yub n ALA 38 N 3.02 0.00 0.00 5.45 0.00 -1.26 -4.81 120.51 122.91 2yub n ALA 38 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2yub n ALA 38 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2yub n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yub n SER 39 N -0.41 3.43 -2.45 0.00 2.88 -1.26 -5.08 113.62 110.72 2yub n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2yub n SER 39 Cb 0.00 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 2yub n SER 39 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yub n SER 40 N -1.73 0.00 -0.10 -3.46 7.64 -1.26 -5.04 113.62 109.67 2yub n SER 40 Ca 0.00 -0.35 -0.12 0.00 1.01 0.00 0.00 58.87 59.41 2yub n SER 40 Cb 0.36 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.43 2yub n SER 40 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2yub n ASN 41 N -1.04 1.35 -4.68 6.43 3.02 -1.26 -4.87 115.26 114.21 2yub n ASN 41 Ca 0.00 -0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 2yub n ASN 41 Cb 0.00 0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2yub s TYR 42 N -2.45 1.89 0.99 3.10 1.13 -1.26 -4.03 117.35 116.73 2yub s TYR 42 Ca -0.20 -0.14 -0.17 0.00 -1.41 0.00 0.00 57.07 55.16 2yub s TYR 42 Cb 0.07 -4.19 -0.11 0.00 -1.10 0.00 0.00 41.96 36.63 2yub s TYR 42 CO 0.64 -5.02 -0.62 0.00 -2.51 0.00 0.00 175.55 168.04 2yub n ALA 43 N 6.27 -4.97 0.00 9.51 0.00 -1.15 -4.76 120.51 125.40 2yub n ALA 43 Ca 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2yub n ALA 43 Cb 0.39 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2yub n ALA 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yub n THR 44 N -2.81 0.00 -3.82 0.00 -2.24 -1.14 -4.45 114.28 99.83 2yub n THR 44 Ca -0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2yub n THR 44 Cb 0.57 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2yub s THR 45 N -1.00 -0.01 0.11 4.28 2.01 -1.04 -4.61 115.64 115.37 2yub s THR 45 Ca 0.00 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.12 2yub s THR 45 Cb 0.00 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 2yub s THR 45 CO 0.00 0.02 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.10 2yub s VAL 46 N 0.27 3.00 -0.17 3.82 1.01 -1.26 -1.13 120.40 125.94 2yub s VAL 46 Ca -0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 2yub s VAL 46 Cb -0.03 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 34.05 2yub s VAL 46 CO -0.01 0.13 0.16 -1.58 0.00 0.00 0.00 175.10 173.79 2yub s GLN 47 N -2.09 0.11 -0.59 2.72 0.74 -0.20 -3.50 119.66 116.84 2yub s GLN 47 Ca 0.19 0.15 -0.28 0.00 0.05 0.00 0.00 55.36 55.46 2yub s GLN 47 Cb -0.11 -1.30 -0.11 0.00 1.10 0.00 0.00 33.01 32.59 2yub s GLN 47 CO 0.11 -0.60 2.46 0.28 -0.55 0.00 0.00 175.29 176.98 2yub n VAL 48 N 5.30 -0.01 0.08 1.34 0.31 -0.89 -1.26 118.33 123.20 2yub n VAL 48 Ca -0.06 -0.52 -0.04 0.00 -0.01 0.00 0.00 64.34 63.71 2yub n VAL 48 Cb 0.49 -2.08 -0.02 0.00 -0.91 0.00 0.00 33.84 31.33 2yub n VAL 48 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2yub h LYS 49 N 16.68 -0.22 -3.73 5.55 3.64 -1.81 -1.10 116.57 135.59 2yub h LYS 49 Ca -0.20 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.08 2yub h LYS 49 Cb 1.28 0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 32.99 2yub h LYS 49 CO 1.19 -0.15 -0.45 -1.21 -2.27 0.00 0.00 179.45 176.57 2yub s GLU 50 N -3.54 0.68 -0.02 1.90 0.41 -1.23 -4.50 118.70 112.40 2yub s GLU 50 Ca -0.04 -0.76 0.01 0.00 -0.41 0.00 0.00 54.97 53.77 2yub s GLU 50 Cb 0.01 0.27 0.01 0.00 -1.78 0.00 0.00 34.13 32.64 2yub s GLU 50 CO 0.11 -0.19 -0.03 0.08 -0.49 0.00 0.00 175.26 174.74 2yub s VAL 51 N -2.88 0.33 -0.17 2.63 1.01 -1.26 -1.46 120.40 118.60 2yub s VAL 51 Ca -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2yub s VAL 51 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 2yub s VAL 51 CO -0.06 0.14 -0.03 0.20 0.00 0.00 0.00 175.10 175.35 2yub s ASN 52 N 0.44 4.72 0.00 3.32 0.01 -0.62 -4.94 114.94 117.87 2yub s ASN 52 Ca -0.05 -0.18 0.28 0.00 -0.71 0.00 0.00 52.86 52.20 2yub s ASN 52 Cb -0.08 -1.78 1.01 0.00 0.41 0.00 0.00 41.25 40.81 2yub s ASN 52 CO -0.01 0.13 1.73 0.54 -1.51 0.00 0.00 177.10 177.99 2yub n ARG 53 N 3.82 0.54 0.04 -0.60 1.74 -1.26 -3.11 116.66 117.82 2yub n ARG 53 Ca -0.17 -0.23 0.13 0.00 -0.77 0.00 0.00 57.85 56.81 2yub n ARG 53 Cb 0.52 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 30.98 2yub n ARG 53 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2yub n MET 54 N -1.04 0.10 -0.03 5.56 2.81 -1.26 -2.21 117.12 121.05 2yub n MET 54 Ca 0.12 0.12 -0.04 0.00 -1.81 0.00 0.00 57.70 56.09 2yub n MET 54 Cb 0.31 -1.62 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 2yub n MET 54 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2yub n HIS 55 N -1.79 0.00 0.12 2.03 8.25 -1.23 -4.65 115.22 117.95 2yub n HIS 55 Ca 0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.50 2yub n HIS 55 Cb 0.34 -0.25 0.17 0.00 1.12 0.00 0.00 29.99 31.38 2yub n HIS 55 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2yub h ILE 56 N 0.00 1.40 -0.24 1.59 2.04 -1.64 -3.49 117.51 117.17 2yub h ILE 56 Ca -0.14 -1.97 0.01 0.00 1.00 0.00 0.00 64.86 63.76 2yub h ILE 56 Cb 1.25 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 2yub h ILE 56 CO -0.01 0.57 -0.07 -1.20 0.00 0.00 0.00 178.15 177.43 2yub n SER 57 N -3.86 -0.53 -4.57 1.72 7.64 -0.94 -4.48 113.62 108.60 2yub n SER 57 Ca -0.02 0.11 -0.27 0.00 1.01 0.00 0.00 58.87 59.70 2yub n SER 57 Cb 0.59 0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.83 2yub n SER 57 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2yub s PRO 58 N -3.54 2.52 0.00 1.43 0.04 -1.26 -3.41 135.00 130.78 2yub s PRO 58 Ca 0.00 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.32 2yub s PRO 58 Cb 0.00 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2yub s PRO 58 CO 0.00 -3.69 0.00 0.27 0.04 0.00 0.00 177.00 173.62 2yub n ASN 59 N 14.21 0.00 -1.01 6.66 0.23 -1.26 -4.94 115.26 129.15 2yub n ASN 59 Ca 0.42 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.58 2yub n ASN 59 Cb 0.47 0.05 0.19 0.00 -2.08 0.00 0.00 39.78 38.42 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2yub n ASN 60 N -1.62 3.25 -0.31 0.53 3.02 -1.22 -4.25 115.26 114.67 2yub n ASN 60 Ca 0.00 -1.93 0.13 0.00 -0.03 0.00 0.00 54.58 52.75 2yub n ASN 60 Cb 0.00 -0.24 0.62 0.00 -0.61 0.00 0.00 39.78 39.55 2yub n ASN 60 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2yub n ARG 61 N 1.25 1.42 -0.12 3.52 1.85 -1.25 -3.32 116.66 120.00 2yub n ARG 61 Ca 0.17 -0.61 0.08 0.00 -1.00 0.00 0.00 57.85 56.49 2yub n ARG 61 Cb 0.54 -1.45 0.14 0.00 -1.05 0.00 0.00 32.46 30.64 2yub n ARG 61 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2yub n ASN 62 N -0.23 2.81 -0.00 2.89 2.85 -1.26 -4.38 115.26 117.94 2yub n ASN 62 Ca 0.19 -1.82 0.02 0.00 -0.11 0.00 0.00 54.58 52.85 2yub n ASN 62 Cb 0.25 -0.16 -0.02 0.00 1.24 0.00 0.00 39.78 41.09 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yub n ALA 63 N 0.92 2.13 -2.48 5.20 0.00 -1.21 -5.06 120.51 120.01 2yub n ALA 63 Ca 0.13 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 2yub n ALA 63 Cb 0.45 -0.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 2yub n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2yub s ILE 64 N -2.17 1.47 0.00 0.00 2.07 -1.24 -4.85 121.20 116.48 2yub s ILE 64 Ca -0.01 -2.02 0.00 0.00 -1.41 0.00 0.00 60.65 57.20 2yub s ILE 64 Cb 0.02 -2.77 0.00 0.00 0.13 0.00 0.00 42.46 39.84 2yub s ILE 64 CO 0.13 -0.06 0.00 0.00 -1.91 0.00 0.00 174.94 173.10 2yub n HIS 65 N -0.73 0.00 -2.26 3.50 1.44 -1.26 -4.85 115.22 111.06 2yub n HIS 65 Ca -0.03 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.31 2yub n HIS 65 Cb 0.66 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.76 2yub n HIS 65 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 2yub s PRO 66 N -1.80 3.68 0.00 -1.40 0.04 -1.26 -3.61 135.00 130.66 2yub s PRO 66 Ca 0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2yub s PRO 66 Cb 0.00 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2yub s PRO 66 CO 0.00 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2yub n GLY 67 N 0.39 3.15 0.00 0.56 0.00 -0.42 -5.01 105.19 103.86 2yub n GLY 67 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2yub n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yub n ASP 68 N 0.00 0.00 -4.04 1.61 9.92 -1.24 -4.83 116.55 117.98 2yub n ASP 68 Ca 0.00 -0.74 -0.15 0.00 -0.53 0.00 0.00 54.79 53.38 2yub n ASP 68 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 2yub n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yub s ARG 69 N -1.75 0.54 -0.12 -1.24 1.04 -1.26 -2.09 118.95 114.08 2yub s ARG 69 Ca 0.00 -0.59 -0.05 0.00 -1.04 0.00 0.00 55.73 54.04 2yub s ARG 69 Cb 0.00 -0.40 -0.04 0.00 -2.04 0.00 0.00 34.95 32.47 2yub s ARG 69 CO 0.00 0.09 0.07 0.42 -0.04 0.00 0.00 175.30 175.84 2yub s ILE 70 N -0.96 4.94 -0.22 4.99 1.01 -1.23 -3.29 121.20 126.45 2yub s ILE 70 Ca -0.05 -0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.67 2yub s ILE 70 Cb -0.07 -3.14 -0.21 0.00 0.01 0.00 0.00 42.46 39.05 2yub s ILE 70 CO 0.00 0.59 -0.03 0.18 0.00 0.00 0.00 174.94 175.69 2yub n LEU 71 N 2.28 1.81 -3.89 2.97 4.77 -0.85 -4.30 117.00 119.79 2yub n LEU 71 Ca -0.19 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.67 2yub n LEU 71 Cb 0.54 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2yub n LEU 71 CO 0.31 0.75 -0.15 -1.61 -1.33 0.00 0.00 177.39 175.36 2yub s GLU 72 N -2.52 0.72 -0.03 3.23 2.02 -1.26 -3.30 118.70 117.56 2yub s GLU 72 Ca -0.24 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 53.92 2yub s GLU 72 Cb 0.08 0.29 0.02 0.00 0.10 0.00 0.00 34.13 34.61 2yub s GLU 72 CO 0.71 -0.21 -0.04 0.42 0.02 0.00 0.00 175.26 176.16 2yub s ILE 73 N -3.21 0.49 -0.67 -1.63 1.01 -0.35 -2.30 121.20 114.54 2yub s ILE 73 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.52 2yub s ILE 73 Cb 0.02 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.99 2yub s ILE 73 CO -0.07 0.20 0.00 0.59 0.00 0.00 0.00 174.94 175.65 2yub n ASN 74 N 3.79 -4.93 -0.32 3.58 3.02 0.31 -1.57 115.26 119.14 2yub n ASN 74 Ca -0.23 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2yub n ASN 74 Cb 0.52 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 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 0.43 0.79 3.32 7.41 0.00 -1.26 -4.90 105.19 110.98 2yub n GLY 75 Ca -0.06 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 2yub n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yub s THR 76 N -2.26 0.03 0.09 2.61 2.01 -0.61 -5.14 115.64 112.37 2yub s THR 76 Ca 0.00 -0.21 -0.31 0.00 0.31 0.00 0.00 61.69 61.48 2yub s THR 76 Cb 0.00 -0.67 -0.07 0.00 0.01 0.00 0.00 72.50 71.77 2yub s THR 76 CO 0.00 -0.12 1.38 -2.16 -0.69 0.00 0.00 174.62 173.03 2yub s PRO 77 N -0.67 4.32 0.07 4.92 0.04 -1.26 -1.21 135.00 141.21 2yub s PRO 77 Ca -0.08 2.03 0.15 0.00 0.04 0.00 0.00 61.00 63.14 2yub s PRO 77 Cb -0.04 -3.30 -0.14 0.00 0.04 0.00 0.00 34.50 31.07 2yub s PRO 77 CO 0.04 -0.44 0.92 -0.39 0.04 0.00 0.00 177.00 177.16 2yub h VAL 78 N 4.37 0.74 0.00 -0.36 -1.51 -1.91 -2.81 116.25 114.77 2yub h VAL 78 Ca -0.42 -2.32 0.00 0.00 -1.23 0.00 0.00 66.70 62.74 2yub h VAL 78 Cb 1.21 2.25 0.00 0.00 -2.13 0.00 0.00 31.29 32.62 2yub h VAL 78 CO 0.86 0.42 0.00 0.08 -1.23 0.00 0.00 177.57 177.71 2yub h ARG 79 N 0.00 0.00 0.00 5.19 0.11 -1.81 -3.10 114.38 114.78 2yub h ARG 79 Ca -0.15 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.69 2yub h ARG 79 Cb 1.67 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.71 2yub h ARG 79 CO 0.06 0.00 -1.89 0.25 0.10 0.00 0.00 179.97 178.50 2yub n THR 80 N -2.34 0.89 -0.65 0.08 -2.24 -1.24 -4.65 114.28 104.13 2yub n THR 80 Ca 0.01 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 2yub n THR 80 Cb 0.18 -0.98 0.23 0.00 -2.10 0.00 0.00 70.33 67.66 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 -5.72 1.27 0.32 3.22 1.43 -1.06 -4.84 118.68 113.30 2yub s LEU 81 Ca -0.18 1.59 -0.02 0.00 -1.03 0.00 0.00 54.13 54.49 2yub s LEU 81 Cb 0.05 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2yub s LEU 81 CO 0.39 -3.88 0.55 -0.13 0.23 0.00 0.00 176.35 173.52 2yub s ARG 82 N -4.56 3.55 0.13 1.70 0.52 -1.26 -2.93 118.95 116.10 2yub s ARG 82 Ca 0.68 -0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 55.42 2yub s ARG 82 Cb -0.24 -2.65 -0.07 0.00 0.52 0.00 0.00 34.95 32.51 2yub s ARG 82 CO 0.63 0.17 1.57 0.28 0.02 0.00 0.00 175.30 177.97 2yub h VAL 83 N 1.02 0.09 -1.27 3.52 2.07 -1.91 0.20 116.25 119.97 2yub h VAL 83 Ca -0.49 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.40 2yub h VAL 83 Cb 1.20 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 2yub h VAL 83 CO 0.64 0.00 0.90 1.05 0.02 0.00 0.00 177.57 180.18 2yub h GLU 84 N -0.51 0.05 0.02 1.57 4.11 -1.95 0.22 114.58 118.09 2yub h GLU 84 Ca 0.07 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 2yub h GLU 84 Cb 0.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2yub h GLU 84 CO -0.42 0.04 -0.01 0.93 0.07 0.00 0.00 179.01 179.61 2yub h GLU 85 N 0.06 -0.03 -0.01 1.06 3.07 -1.10 0.18 114.58 117.81 2yub h GLU 85 Ca 0.63 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 2yub h GLU 85 Cb 2.37 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 30.29 2yub h GLU 85 CO -0.07 0.70 0.02 0.28 -1.40 0.00 0.00 179.01 178.54 2yub h VAL 86 N -0.93 0.44 0.11 3.13 2.07 0.10 -0.28 116.25 120.88 2yub h VAL 86 Ca -0.00 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.15 2yub h VAL 86 Cb 0.74 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2yub h VAL 86 CO 0.00 0.00 -2.03 -0.62 0.02 0.00 0.00 177.57 174.94 2yub n GLU 87 N -3.72 0.74 -0.18 1.57 -0.58 0.57 -4.21 120.64 114.84 2yub n GLU 87 Ca -0.03 0.25 -0.08 0.00 -0.42 0.00 0.00 57.16 56.88 2yub n GLU 87 Cb 0.10 -1.69 0.01 0.00 -0.57 0.00 0.00 31.44 29.29 2yub n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2yub h ASP 88 N 0.06 0.72 -0.90 1.62 3.32 -0.38 -2.79 116.42 118.06 2yub h ASP 88 Ca -0.43 -0.18 0.21 0.00 0.02 0.00 0.00 57.03 56.64 2yub h ASP 88 Cb 2.02 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 41.27 2yub h ASP 88 CO 0.07 0.71 0.43 0.00 -1.72 0.00 0.00 179.24 178.73 2yub h ALA 89 N 1.04 1.46 -0.21 3.45 0.00 -1.25 0.37 119.26 124.11 2yub h ALA 89 Ca 0.17 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2yub h ALA 89 Cb 0.23 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2yub h ALA 89 CO -0.01 -0.29 -0.32 0.82 0.00 0.00 0.00 179.25 179.45 2yub h ILE 90 N 0.46 1.28 -0.08 0.00 1.08 -1.67 -2.91 117.51 115.68 2yub h ILE 90 Ca 0.55 -1.38 -0.16 0.00 -0.39 0.00 0.00 64.86 63.49 2yub h ILE 90 Cb 1.01 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 2yub h ILE 90 CO -0.49 0.43 -0.65 0.11 -0.69 0.00 0.00 178.15 176.86 2yub h LYS 91 N 0.37 0.32 -5.60 2.37 1.57 -0.25 -3.41 116.57 111.95 2yub h LYS 91 Ca 0.05 -0.24 -0.21 0.00 -1.87 0.00 0.00 60.65 58.38 2yub h LYS 91 Cb 0.74 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 2yub h LYS 91 CO 0.06 0.86 0.52 -0.65 -0.57 0.00 0.00 179.45 179.67 2yub s GLN 92 N -3.72 2.26 -0.37 3.15 -1.52 0.43 -4.63 119.66 115.27 2yub s GLN 92 Ca -0.05 -0.07 0.06 0.00 -1.95 0.00 0.00 55.36 53.35 2yub s GLN 92 Cb 0.11 -4.98 0.55 0.00 -0.22 0.00 0.00 33.01 28.47 2yub s GLN 92 CO 0.82 -3.71 1.63 0.25 -0.25 0.00 0.00 175.29 174.02 2yub n THR 93 N 8.15 2.83 0.64 -0.19 -2.24 -1.26 -4.40 114.28 117.81 2yub n THR 93 Ca 0.42 -2.61 0.08 0.00 -2.27 0.00 0.00 64.05 59.67 2yub n THR 93 Cb 0.46 -0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 2yub n THR 93 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2yub n SER 94 N -1.10 0.84 -3.09 3.42 2.88 -1.21 -1.69 113.62 113.67 2yub n SER 94 Ca 0.44 -0.71 -0.18 0.00 -1.33 0.00 0.00 58.87 57.09 2yub n SER 94 Cb 1.20 1.17 -0.05 0.00 -0.75 0.00 0.00 64.21 65.78 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yub n GLN 95 N -1.56 0.56 -1.86 -1.46 1.13 -1.26 -4.68 117.38 108.25 2yub n GLN 95 Ca 0.02 -2.55 -0.42 0.00 -1.94 0.00 0.00 57.00 52.11 2yub n GLN 95 Cb 0.31 1.58 -0.03 0.00 0.11 0.00 0.00 30.24 32.21 2yub n GLN 95 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2yub s THR 96 N -2.78 2.68 -0.30 5.09 -4.23 -1.26 -2.28 115.64 112.55 2yub s THR 96 Ca 0.20 0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.97 2yub s THR 96 Cb 0.01 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.65 2yub s THR 96 CO 0.14 0.01 0.09 -0.22 -0.54 0.00 0.00 174.62 174.10 2yub s LEU 97 N 2.02 3.95 -0.10 4.79 2.96 0.70 -4.91 118.68 128.09 2yub s LEU 97 Ca 0.74 -0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 2yub s LEU 97 Cb -0.43 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 2yub s LEU 97 CO 0.33 -0.22 0.06 -1.10 -1.32 0.00 0.00 176.35 174.09 2yub s GLN 98 N 1.48 3.20 -0.02 1.98 -0.21 -1.26 -3.26 119.66 121.58 2yub s GLN 98 Ca 0.02 -0.30 0.03 0.00 0.02 0.00 0.00 55.36 55.13 2yub s GLN 98 Cb -0.18 -2.96 -0.00 0.00 1.00 0.00 0.00 33.01 30.87 2yub s GLN 98 CO 0.03 0.71 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.29 2yub s LEU 99 N -0.88 1.87 -0.32 2.90 1.43 -1.16 -0.53 118.68 121.99 2yub s LEU 99 Ca 0.13 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2yub s LEU 99 Cb -0.12 -0.62 0.06 0.00 0.03 0.00 0.00 46.19 45.54 2yub s LEU 99 CO 0.03 0.10 0.04 -0.22 0.23 0.00 0.00 176.35 176.52 2yub s LEU 100 N 0.04 4.15 0.02 1.79 2.96 -0.97 -2.38 118.68 124.29 2yub s LEU 100 Ca -0.01 -1.41 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 2yub s LEU 100 Cb -0.08 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2yub s LEU 100 CO 0.00 -0.31 0.10 -0.63 -1.32 0.00 0.00 176.35 174.20 2yub s ILE 101 N 1.23 4.80 -0.19 6.68 -1.09 -0.00 -2.00 121.20 130.63 2yub s ILE 101 Ca -0.02 -0.48 -0.10 0.00 -2.23 0.00 0.00 60.65 57.82 2yub s ILE 101 Cb -0.20 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.38 2yub s ILE 101 CO -0.02 0.27 0.14 -0.70 -1.23 0.00 0.00 174.94 173.40 2yub s GLU 102 N -2.00 4.11 -0.72 2.79 2.12 -1.21 0.06 118.70 123.86 2yub s GLU 102 Ca 0.26 -0.20 -0.17 0.00 0.36 0.00 0.00 54.97 55.22 2yub s GLU 102 Cb -0.12 -3.40 0.14 0.00 0.26 0.00 0.00 34.13 31.01 2yub s GLU 102 CO 0.18 0.35 0.79 -1.58 -0.54 0.00 0.00 175.26 174.46 2yub s HIS 103 N 0.22 3.24 0.05 5.30 5.65 0.39 -4.79 115.29 125.35 2yub s HIS 103 Ca 0.09 -1.35 -0.10 0.00 0.25 0.00 0.00 55.06 53.95 2yub s HIS 103 Cb -0.11 -4.00 -0.06 0.00 -1.18 0.00 0.00 32.58 27.23 2yub s HIS 103 CO -0.01 -1.23 0.38 0.16 -0.65 0.00 0.00 174.74 173.38 2yub s ASP 104 N 3.24 6.64 0.23 9.88 -4.77 -1.26 -3.69 116.67 126.94 2yub s ASP 104 Ca 0.17 0.77 0.00 0.00 -3.30 0.00 0.00 52.55 50.19 2yub s ASP 104 Cb -0.17 -2.17 0.25 0.00 -1.09 0.00 0.00 42.92 39.74 2yub s ASP 104 CO -0.01 0.21 1.60 1.55 0.70 0.00 0.00 175.17 179.22 2yub h PRO 105 N 3.91 0.47 -6.26 2.11 0.13 -1.99 -3.44 132.00 126.93 2yub h PRO 105 Ca -0.50 -0.25 -0.57 0.00 -0.87 0.00 0.00 66.00 63.82 2yub h PRO 105 Cb 1.20 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2yub h PRO 105 CO 0.66 0.82 -0.06 0.08 -0.23 0.00 0.00 178.00 179.26 2yub s VAL 106 N -4.16 4.80 1.00 1.56 1.01 -1.26 -5.08 120.40 118.27 2yub s VAL 106 Ca -0.07 1.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 2yub s VAL 106 Cb 0.12 -3.82 0.19 0.00 0.00 0.00 0.00 36.38 32.87 2yub s VAL 106 CO 0.81 0.43 1.09 -2.16 0.00 0.00 0.00 175.10 175.28 2yub s PRO 107 N -1.44 0.41 -0.08 2.72 0.04 -1.26 -4.98 135.00 130.41 2yub s PRO 107 Ca 0.32 0.51 0.14 0.00 0.04 0.00 0.00 61.00 62.01 2yub s PRO 107 Cb -0.18 -1.74 0.45 0.00 0.04 0.00 0.00 34.50 33.08 2yub s PRO 107 CO 0.19 -2.74 1.38 1.04 0.04 0.00 0.00 177.00 176.90 2yub n GLN 108 N -4.18 3.03 -2.54 4.56 3.00 -1.26 -4.49 117.38 115.50 2yub n GLN 108 Ca 0.05 -2.46 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 2yub n GLN 108 Cb 0.57 -1.57 0.05 0.00 0.00 0.00 0.00 30.24 29.29 2yub n GLN 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2yub n ARG 109 N 0.27 1.35 0.00 -1.09 3.00 -1.26 -5.07 116.66 113.86 2yub n ARG 109 Ca 0.17 -2.86 0.00 0.00 -0.00 0.00 0.00 57.85 55.16 2yub n ARG 109 Cb 0.66 -0.99 0.00 0.00 0.00 0.00 0.00 32.46 32.13 2yub n ARG 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2yub n LEU 110 N -0.54 0.00 -4.95 6.15 4.32 -1.26 -4.48 117.00 116.23 2yub n LEU 110 Ca 0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.78 2yub n LEU 110 Cb 0.86 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.65 2yub n LEU 110 CO 0.01 0.00 0.10 -0.62 -1.22 0.00 0.00 177.39 175.66 2yub s ASP 111 N -4.00 6.27 -0.08 -1.43 -1.08 -1.26 -4.80 116.67 110.29 2yub s ASP 111 Ca 0.00 0.29 0.12 0.00 -0.52 0.00 0.00 52.55 52.44 2yub s ASP 111 Cb 0.00 -1.92 -0.18 0.00 -1.46 0.00 0.00 42.92 39.36 2yub s ASP 111 CO 0.00 -0.24 0.14 1.67 0.52 0.00 0.00 175.17 177.26 2yub n GLN 112 N -1.67 1.35 -2.33 4.34 7.27 -1.26 -5.04 117.38 120.04 2yub n GLN 112 Ca -0.06 -0.05 -0.03 0.00 0.07 0.00 0.00 57.00 56.93 2yub n GLN 112 Cb 0.57 -1.32 -0.01 0.00 2.41 0.00 0.00 30.24 31.89 2yub n GLN 112 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2yub n SER 113 N -2.26 0.84 0.00 1.69 2.88 -1.26 -5.18 113.62 110.32 2yub n SER 113 Ca -0.13 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.11 2yub n SER 113 Cb 0.68 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 2yub n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yub n GLY 114 N 1.65 2.91 3.56 0.46 0.00 -1.26 -5.09 105.19 107.41 2yub n GLY 114 Ca -0.01 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 1.10 2.59 -0.30 1.61 0.04 -1.26 -4.86 135.00 133.93 2yub s PRO 115 Ca 0.00 0.10 -0.16 0.00 0.04 0.00 0.00 61.00 60.98 2yub s PRO 115 Cb 0.00 -4.77 0.16 0.00 0.04 0.00 0.00 34.50 29.93 2yub s PRO 115 CO 0.00 -3.09 1.02 0.45 0.04 0.00 0.00 177.00 175.42 2yub s SER 116 N 8.06 -0.48 0.72 6.66 0.15 -1.26 -5.15 113.70 122.40 2yub s SER 116 Ca 0.69 0.70 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2yub s SER 116 Cb -0.09 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 2yub s SER 116 CO 0.09 -0.10 0.00 -0.24 1.20 0.00 0.00 173.24 174.18 2yub n SER 117 N 4.36 -2.39 0.00 5.45 2.88 -1.26 -5.21 113.62 117.46 2yub n SER 117 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2yub n SER 117 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42