#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 0.91 -0.16 1.61 7.64 -1.26 -4.31 113.62 118.05 2yub n SER 2 Ca 0.00 -0.88 -0.11 0.00 1.01 0.00 0.00 58.87 58.89 2yub n SER 2 Cb 0.00 0.95 -0.00 0.00 -1.01 0.00 0.00 64.21 64.15 2yub n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2yub h SER 3 N 0.00 0.92 0.00 6.43 4.64 -2.15 -3.49 113.55 119.90 2yub h SER 3 Ca 0.00 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2yub h SER 3 Cb 0.52 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2yub h SER 3 CO 0.00 1.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.64 2yub n GLY 4 N -0.22 0.18 3.63 -0.77 0.00 -1.26 -5.11 105.19 101.63 2yub n GLY 4 Ca 0.00 -1.63 -0.00 0.00 0.00 0.00 0.00 46.02 44.39 2yub n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yub s SER 5 N -4.00 -0.09 0.61 1.61 1.04 -1.26 -5.04 113.70 106.57 2yub s SER 5 Ca 0.00 -0.13 -0.18 0.00 0.48 0.00 0.00 55.95 56.12 2yub s SER 5 Cb 0.00 0.20 -0.13 0.00 0.10 0.00 0.00 66.02 66.18 2yub s SER 5 CO 0.00 -0.36 -0.13 -1.20 0.98 0.00 0.00 173.24 172.53 2yub n SER 6 N -0.40 -3.63 -0.60 7.02 7.64 -1.26 -4.93 113.62 117.46 2yub n SER 6 Ca -0.06 0.58 -0.00 0.00 1.01 0.00 0.00 58.87 60.39 2yub n SER 6 Cb 0.62 -0.89 -0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2yub n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yub n GLY 7 N 2.54 0.77 3.84 0.23 0.00 -1.26 -5.13 105.19 106.18 2yub n GLY 7 Ca 0.07 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2yub n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yub s VAL 8 N 0.00 4.05 -0.05 1.61 -7.23 -1.26 -5.08 120.40 112.44 2yub s VAL 8 Ca 0.02 0.67 -0.03 0.00 -1.81 0.00 0.00 61.98 60.82 2yub s VAL 8 Cb 0.02 -3.51 0.02 0.00 0.56 0.00 0.00 36.38 33.48 2yub s VAL 8 CO -0.01 -0.87 0.12 0.00 -0.31 0.00 0.00 175.10 174.03 2yub s GLN 9 N -5.13 0.11 -0.05 4.82 -2.07 -1.26 -5.03 119.66 111.04 2yub s GLN 9 Ca 0.57 0.23 0.17 0.00 -1.82 0.00 0.00 55.36 54.52 2yub s GLN 9 Cb -0.13 -0.04 0.33 0.00 -1.09 0.00 0.00 33.01 32.09 2yub s GLN 9 CO 0.54 -0.08 1.15 -0.40 -1.32 0.00 0.00 175.29 175.18 2yub n ASP 10 N 3.49 1.05 -3.58 12.60 5.75 -1.26 -4.94 116.55 129.67 2yub n ASP 10 Ca -0.18 -2.47 -0.27 0.00 -0.01 0.00 0.00 54.79 51.86 2yub n ASP 10 Cb 0.56 -0.34 -0.10 0.00 -1.03 0.00 0.00 41.12 40.21 2yub n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2yub n GLN 11 N -0.07 0.96 -4.48 0.11 6.02 -1.26 -5.10 117.38 113.57 2yub n GLN 11 Ca 0.08 -3.75 -0.32 0.00 -0.01 0.00 0.00 57.00 53.00 2yub n GLN 11 Cb 0.93 -1.91 -0.11 0.00 1.02 0.00 0.00 30.24 30.18 2yub n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2yub s LEU 12 N -0.73 3.09 0.38 1.08 0.05 -1.26 -5.11 118.68 116.19 2yub s LEU 12 Ca 0.30 -0.19 -0.26 0.00 0.05 0.00 0.00 54.13 54.03 2yub s LEU 12 Cb 0.02 -1.78 -0.09 0.00 -2.05 0.00 0.00 46.19 42.29 2yub s LEU 12 CO -0.17 0.27 1.20 -2.16 -0.55 0.00 0.00 176.35 174.94 2yub s PRO 13 N -1.45 4.12 0.64 1.48 0.04 -1.26 -5.03 135.00 133.54 2yub s PRO 13 Ca 0.17 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 2yub s PRO 13 Cb -0.11 -2.77 0.17 0.00 0.04 0.00 0.00 34.50 31.83 2yub s PRO 13 CO 0.08 -0.29 0.39 2.48 0.04 0.00 0.00 177.00 179.69 2yub n TYR 14 N 0.25 -2.83 -3.73 0.56 0.18 -1.26 -5.01 117.16 105.32 2yub n TYR 14 Ca 0.03 -0.36 -0.30 0.00 1.88 0.00 0.00 57.90 59.15 2yub n TYR 14 Cb 0.45 -0.55 -0.04 0.00 -0.38 0.00 0.00 39.34 38.83 2yub n TYR 14 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2yub s SER 15 N -2.50 6.43 0.34 9.48 0.01 -1.26 -4.98 113.70 121.22 2yub s SER 15 Ca 0.29 0.46 0.09 0.00 1.31 0.00 0.00 55.95 58.10 2yub s SER 15 Cb -0.05 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 2yub s SER 15 CO 0.25 0.04 0.01 -0.69 0.41 0.00 0.00 173.24 173.26 2yub s VAL 16 N -1.70 2.59 -0.03 3.43 1.01 -1.26 -1.66 120.40 122.78 2yub s VAL 16 Ca 0.39 -1.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.29 2yub s VAL 16 Cb -0.12 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.48 2yub s VAL 16 CO 0.27 -0.19 0.20 -0.89 0.00 0.00 0.00 175.10 174.48 2yub s THR 17 N -2.53 0.05 -0.04 3.92 2.01 -0.74 -4.96 115.64 113.35 2yub s THR 17 Ca 0.35 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 2yub s THR 17 Cb 0.00 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.11 2yub s THR 17 CO 0.19 -0.24 0.01 -0.22 -0.69 0.00 0.00 174.62 173.68 2yub s LEU 18 N -0.91 0.86 -0.09 4.42 1.98 -1.26 -1.38 118.68 122.29 2yub s LEU 18 Ca -0.10 -0.02 0.02 0.00 -2.89 0.00 0.00 54.13 51.14 2yub s LEU 18 Cb -0.05 -0.25 -0.02 0.00 0.66 0.00 0.00 46.19 46.53 2yub s LEU 18 CO 0.02 -0.15 -0.15 0.27 -1.89 0.00 0.00 176.35 174.45 2yub s ILE 19 N 1.43 2.88 -0.30 6.68 -0.00 -0.56 -5.01 121.20 126.32 2yub s ILE 19 Ca -0.04 -0.75 0.02 0.00 -0.00 0.00 0.00 60.65 59.88 2yub s ILE 19 Cb -0.13 -2.16 0.09 0.00 -0.00 0.00 0.00 42.46 40.25 2yub s ILE 19 CO -0.03 0.55 0.01 -0.44 -0.00 0.00 0.00 174.94 175.04 2yub s SER 20 N -0.06 4.34 0.03 4.36 0.01 -1.26 -1.95 113.70 119.17 2yub s SER 20 Ca -0.03 -1.71 0.06 0.00 1.31 0.00 0.00 55.95 55.58 2yub s SER 20 Cb -0.14 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 2yub s SER 20 CO 0.04 -0.33 -0.19 -0.04 0.41 0.00 0.00 173.24 173.14 2yub s MET 21 N 1.20 1.30 0.99 12.44 -1.94 -1.16 -5.03 119.30 127.10 2yub s MET 21 Ca 0.04 -0.83 -0.12 0.00 -1.71 0.00 0.00 55.69 53.07 2yub s MET 21 Cb -0.19 -1.36 0.18 0.00 2.01 0.00 0.00 34.83 35.48 2yub s MET 21 CO -0.11 0.35 1.09 -1.25 -0.01 0.00 0.00 175.02 175.10 2yub s PRO 22 N -0.99 0.52 0.00 2.03 0.04 -1.26 -0.89 135.00 134.45 2yub s PRO 22 Ca 0.06 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2yub s PRO 22 Cb -0.08 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2yub s PRO 22 CO 0.01 -2.68 0.00 0.00 0.04 0.00 0.00 177.00 174.37 2yub n ALA 23 N -4.15 0.00 -1.64 8.56 0.00 -0.98 -4.57 120.51 117.74 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 -2.01 0.00 -2.66 0.00 -2.24 -1.17 -4.96 114.28 101.24 2yub n THR 24 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2yub n THR 24 Cb 0.00 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.00 -7.78 0.00 4.28 -1.04 0.26 -4.19 114.28 105.81 2yub n THR 25 Ca 0.00 1.66 0.00 0.00 -2.04 0.00 0.00 64.05 63.67 2yub n THR 25 Cb 0.54 -4.64 0.00 0.00 -1.82 0.00 0.00 70.33 64.41 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 2.04 0.00 0.00 -2.82 -0.58 -0.56 -4.78 120.64 113.95 2yub n GLU 26 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2yub n GLU 26 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.16 2yub n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yub s ARG 28 N 0.00 1.72 0.31 0.00 1.70 -1.26 -5.07 118.95 116.35 2yub s ARG 28 Ca 0.00 -0.37 -0.25 0.00 -0.47 0.00 0.00 55.73 54.64 2yub s ARG 28 Cb 0.00 -1.60 -0.15 0.00 -0.57 0.00 0.00 34.95 32.63 2yub s ARG 28 CO 0.00 -0.15 0.55 2.89 -1.08 0.00 0.00 175.30 177.51 2yub n ARG 29 N 4.47 0.41 0.02 3.89 0.00 -1.26 -4.87 116.66 119.31 2yub n ARG 29 Ca -0.17 0.15 0.12 0.00 -0.00 0.00 0.00 57.85 57.94 2yub n ARG 29 Cb 0.51 -1.29 0.17 0.00 -0.00 0.00 0.00 32.46 31.84 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 1.85 -1.25 3.14 2.89 0.00 -1.26 -4.88 105.19 105.68 2yub n GLY 30 Ca 0.14 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.07 -0.35 0.41 1.61 -0.12 -1.26 0.97 117.98 116.17 2yub s PHE 31 Ca 0.08 0.83 0.08 0.00 -0.05 0.00 0.00 56.93 57.88 2yub s PHE 31 Cb 0.16 0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.66 2yub s PHE 31 CO 0.74 -0.20 0.56 0.45 -0.05 0.00 0.00 175.22 176.71 2yub s SER 32 N 0.68 5.67 0.07 1.98 0.15 -1.03 -4.99 113.70 116.23 2yub s SER 32 Ca -0.04 -0.41 -0.08 0.00 0.70 0.00 0.00 55.95 56.12 2yub s SER 32 Cb -0.06 -0.70 -0.01 0.00 -1.71 0.00 0.00 66.02 63.55 2yub s SER 32 CO -0.04 -0.73 0.16 0.68 1.20 0.00 0.00 173.24 174.50 2yub s VAL 33 N -2.34 0.14 -0.07 4.45 -7.23 -1.26 -3.18 120.40 110.91 2yub s VAL 33 Ca 0.54 -1.16 0.05 0.00 -1.81 0.00 0.00 61.98 59.60 2yub s VAL 33 Cb -0.10 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.63 2yub s VAL 33 CO 0.33 -0.64 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.36 2yub s THR 34 N -3.41 2.26 -0.23 5.32 2.01 -0.63 -4.91 115.64 116.05 2yub s THR 34 Ca 0.02 -0.99 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 2yub s THR 34 Cb 0.03 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2yub s THR 34 CO -0.08 0.57 0.04 -0.69 -0.69 0.00 0.00 174.62 173.77 2yub s VAL 35 N -0.11 4.18 -0.10 3.82 1.01 -1.26 -2.53 120.40 125.40 2yub s VAL 35 Ca -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2yub s VAL 35 Cb -0.14 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 2yub s VAL 35 CO 0.04 0.37 -0.04 -1.61 0.00 0.00 0.00 175.10 173.86 2yub s GLU 36 N 1.39 3.15 -0.11 2.72 2.02 -0.68 -5.04 118.70 122.15 2yub s GLU 36 Ca 0.05 -0.50 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 2yub s GLU 36 Cb -0.15 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.36 2yub s GLU 36 CO 0.02 0.52 0.00 0.45 0.02 0.00 0.00 175.26 176.28 2yub s SER 37 N -0.40 2.03 -0.10 -0.19 0.15 -1.26 -2.15 113.70 111.78 2yub s SER 37 Ca 0.06 -0.32 -0.14 0.00 0.70 0.00 0.00 55.95 56.25 2yub s SER 37 Cb -0.12 -0.53 -0.27 0.00 -1.71 0.00 0.00 66.02 63.39 2yub s SER 37 CO 0.02 -0.22 0.52 0.00 1.20 0.00 0.00 173.24 174.77 2yub h ALA 38 N 8.29 0.22 -2.22 5.45 0.00 -1.95 -3.48 119.26 125.56 2yub h ALA 38 Ca -0.20 -1.15 -0.33 0.00 0.00 0.00 0.00 54.91 53.23 2yub h ALA 38 Cb 1.12 0.53 -0.15 0.00 0.00 0.00 0.00 17.79 19.29 2yub h ALA 38 CO 0.30 0.92 -0.70 0.45 0.00 0.00 0.00 179.25 180.22 2yub s SER 39 N -7.06 1.78 0.54 0.00 0.15 -1.26 -5.09 113.70 102.75 2yub s SER 39 Ca -0.20 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.39 2yub s SER 39 Cb 0.05 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2yub s SER 39 CO 0.77 -0.37 0.00 -1.20 1.20 0.00 0.00 173.24 173.64 2yub n SER 40 N -0.24 -0.56 -0.05 5.45 7.64 -1.26 -4.60 113.62 120.01 2yub n SER 40 Ca -0.09 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.68 2yub n SER 40 Cb 0.61 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 2yub n SER 40 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2yub n ASN 41 N -3.46 1.28 -4.16 6.43 2.85 -1.26 -5.01 115.26 111.92 2yub n ASN 41 Ca 0.00 0.21 -0.55 0.00 -0.11 0.00 0.00 54.58 54.13 2yub n ASN 41 Cb 0.00 -0.49 -0.08 0.00 1.24 0.00 0.00 39.78 40.45 2yub n ASN 41 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yub n TYR 42 N -3.82 0.74 -0.86 1.20 4.11 -1.26 -4.48 117.16 112.79 2yub n TYR 42 Ca -0.20 0.99 -0.34 0.00 -0.00 0.00 0.00 57.90 58.34 2yub n TYR 42 Cb 0.52 -1.94 0.10 0.00 -0.00 0.00 0.00 39.34 38.02 2yub n TYR 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2yub n ALA 43 N 1.71 -4.00 0.00 -3.48 0.00 -0.90 -4.87 120.51 108.97 2yub n ALA 43 Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2yub n ALA 43 Cb 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2yub n ALA 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2yub n THR 44 N -3.38 0.00 -3.78 0.00 -1.04 -0.91 -4.24 114.28 100.93 2yub n THR 44 Ca 0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.90 2yub n THR 44 Cb 0.58 -0.35 -0.09 0.00 -1.82 0.00 0.00 70.33 68.64 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2yub s THR 45 N -1.60 0.05 0.06 12.58 2.01 -1.12 -4.44 115.64 123.18 2yub s THR 45 Ca 0.00 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 61.66 2yub s THR 45 Cb 0.00 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 2yub s THR 45 CO 0.00 -0.22 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.86 2yub s VAL 46 N -1.00 1.32 0.01 3.82 1.01 -1.26 -1.69 120.40 122.61 2yub s VAL 46 Ca -0.11 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 2yub s VAL 46 Cb -0.05 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2yub s VAL 46 CO 0.03 -0.06 0.02 -1.10 0.00 0.00 0.00 175.10 173.99 2yub s GLN 47 N -1.51 0.28 -0.25 2.72 -0.21 -1.05 -2.56 119.66 117.07 2yub s GLN 47 Ca 0.02 -0.40 -0.23 0.00 0.02 0.00 0.00 55.36 54.77 2yub s GLN 47 Cb -0.09 0.11 -0.01 0.00 1.00 0.00 0.00 33.01 34.01 2yub s GLN 47 CO 0.02 -0.05 0.74 0.08 -2.12 0.00 0.00 175.29 173.96 2yub s VAL 48 N -1.08 4.90 -0.03 1.09 1.01 -0.82 -1.60 120.40 123.87 2yub s VAL 48 Ca -0.12 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.20 2yub s VAL 48 Cb -0.07 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2yub s VAL 48 CO -0.00 -0.04 -0.01 0.50 0.00 0.00 0.00 175.10 175.55 2yub h LYS 49 N 7.81 0.00 -5.09 2.72 3.64 -1.90 -3.21 116.57 120.55 2yub h LYS 49 Ca -0.25 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.77 2yub h LYS 49 Cb 1.11 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.78 2yub h LYS 49 CO 0.83 0.00 -0.68 -1.83 -2.27 0.00 0.00 179.45 175.50 2yub s GLU 50 N -1.18 1.24 -0.13 1.90 -1.05 -1.26 -4.66 118.70 113.56 2yub s GLU 50 Ca -0.01 -1.60 -0.13 0.00 -0.15 0.00 0.00 54.97 53.09 2yub s GLU 50 Cb 0.00 -0.63 0.03 0.00 -0.44 0.00 0.00 34.13 33.10 2yub s GLU 50 CO 0.01 -0.03 0.36 0.08 0.95 0.00 0.00 175.26 176.63 2yub s VAL 51 N -3.38 0.00 -0.18 1.83 1.01 -1.26 -2.46 120.40 115.96 2yub s VAL 51 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 2yub s VAL 51 Cb 0.04 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 2yub s VAL 51 CO 0.06 -0.01 -0.02 0.20 0.00 0.00 0.00 175.10 175.33 2yub s ASN 52 N 0.12 4.82 0.25 3.32 -0.87 0.27 -4.95 114.94 117.90 2yub s ASN 52 Ca -0.01 -0.16 0.24 0.00 -1.57 0.00 0.00 52.86 51.36 2yub s ASN 52 Cb -0.03 -1.81 0.30 0.00 -0.02 0.00 0.00 41.25 39.70 2yub s ASN 52 CO 0.01 0.11 1.38 0.03 -2.57 0.00 0.00 177.10 176.06 2yub h ARG 53 N 7.12 0.00 0.00 -0.60 3.08 -1.96 -3.14 114.38 118.88 2yub h ARG 53 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2yub h ARG 53 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2yub h ARG 53 CO 0.62 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 178.19 2yub n MET 54 N -2.58 0.86 -0.02 0.04 2.81 -1.26 -1.42 117.12 115.55 2yub n MET 54 Ca 0.03 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.89 2yub n MET 54 Cb 0.50 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.49 2yub n MET 54 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 2yub n HIS 55 N -1.01 0.00 0.30 2.03 -0.00 -1.22 -4.67 115.22 110.64 2yub n HIS 55 Ca 0.21 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.05 2yub n HIS 55 Cb 0.10 -0.14 0.19 0.00 -0.00 0.00 0.00 29.99 30.14 2yub n HIS 55 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2yub h ILE 56 N -0.00 0.00 -3.10 3.57 2.04 -1.59 -3.50 117.51 114.92 2yub h ILE 56 Ca -0.08 -0.87 0.24 0.00 1.00 0.00 0.00 64.86 65.15 2yub h ILE 56 Cb 1.12 1.76 -0.13 0.00 -0.74 0.00 0.00 36.82 38.83 2yub h ILE 56 CO -0.01 0.00 -1.07 -1.20 0.00 0.00 0.00 178.15 175.87 2yub n SER 57 N -2.81 -6.93 -4.56 1.72 7.64 -0.51 -4.50 113.62 103.67 2yub n SER 57 Ca 0.04 1.35 -0.27 0.00 1.01 0.00 0.00 58.87 61.00 2yub n SER 57 Cb 0.51 -4.33 -0.05 0.00 -1.01 0.00 0.00 64.21 59.33 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 -4.37 2.55 0.29 1.43 0.04 -1.26 -4.04 135.00 129.63 2yub s PRO 58 Ca 0.00 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.62 2yub s PRO 58 Cb 0.00 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2yub s PRO 58 CO 0.00 -3.46 0.00 0.09 0.04 0.00 0.00 177.00 173.67 2yub n ASN 59 N 14.02 -2.62 -0.87 6.66 3.02 -1.26 -4.95 115.26 129.25 2yub n ASN 59 Ca 0.41 0.60 0.06 0.00 -0.03 0.00 0.00 54.58 55.62 2yub n ASN 59 Cb 0.47 2.61 0.23 0.00 -0.61 0.00 0.00 39.78 42.48 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2yub n ASN 60 N -3.08 3.43 -0.30 6.41 3.02 -1.26 -4.50 115.26 118.98 2yub n ASN 60 Ca 0.00 -3.19 0.13 0.00 -0.03 0.00 0.00 54.58 51.49 2yub n ASN 60 Cb 0.00 -0.55 0.45 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.75 1.08 0.04 3.52 1.85 -1.26 -3.63 116.66 117.51 2yub n ARG 61 Ca 0.24 -0.61 0.12 0.00 -1.00 0.00 0.00 57.85 56.59 2yub n ARG 61 Cb 0.90 -1.49 0.13 0.00 -1.05 0.00 0.00 32.46 30.95 2yub n ARG 61 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2yub n ASN 62 N -0.43 0.64 -0.03 2.89 6.94 -1.26 -4.03 115.26 119.99 2yub n ASN 62 Ca 0.15 -0.06 -0.12 0.00 -0.02 0.00 0.00 54.58 54.53 2yub n ASN 62 Cb 0.34 0.41 -0.14 0.00 -2.36 0.00 0.00 39.78 38.03 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2yub n ALA 63 N -1.78 1.36 -2.45 -2.53 0.00 -1.24 -4.96 120.51 108.92 2yub n ALA 63 Ca 0.03 -0.80 -0.23 0.00 0.00 0.00 0.00 53.44 52.45 2yub n ALA 63 Cb 0.42 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.58 2.95 0.00 0.00 2.07 -1.25 -4.82 121.20 117.58 2yub s ILE 64 Ca -0.10 -1.57 0.00 0.00 -1.41 0.00 0.00 60.65 57.57 2yub s ILE 64 Cb 0.07 -3.02 0.00 0.00 0.13 0.00 0.00 42.46 39.64 2yub s ILE 64 CO 0.81 -0.12 0.00 1.41 -1.91 0.00 0.00 174.94 175.12 2yub n HIS 65 N -1.27 0.00 -1.94 3.50 8.25 -1.26 -4.85 115.22 117.64 2yub n HIS 65 Ca -0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 2yub n HIS 65 Cb 0.62 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.66 2yub n HIS 65 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2yub n PRO 66 N -0.23 1.58 0.00 -0.41 -0.04 -1.26 -3.62 135.00 131.01 2yub n PRO 66 Ca 0.00 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 2yub n PRO 66 Cb 0.00 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 29.84 2yub n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yub n GLY 67 N 5.62 0.00 3.34 0.55 0.00 -1.21 -4.95 105.19 108.53 2yub n GLY 67 Ca 0.46 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 2yub n GLY 67 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2yub s ASP 68 N 0.00 1.51 -0.17 1.61 -4.77 -1.24 -5.02 116.67 108.59 2yub s ASP 68 Ca 0.00 -1.70 -0.01 0.00 -3.30 0.00 0.00 52.55 47.54 2yub s ASP 68 Cb 0.00 0.59 0.05 0.00 -1.09 0.00 0.00 42.92 42.47 2yub s ASP 68 CO 0.00 -1.13 -0.02 0.00 0.70 0.00 0.00 175.17 174.71 2yub s ARG 69 N -3.32 1.17 0.45 2.11 1.70 -1.26 -1.95 118.95 117.85 2yub s ARG 69 Ca 0.38 -0.49 -0.24 0.00 -0.47 0.00 0.00 55.73 54.91 2yub s ARG 69 Cb 0.02 -2.00 -0.08 0.00 -0.57 0.00 0.00 34.95 32.32 2yub s ARG 69 CO 0.26 -0.49 1.26 0.42 -1.08 0.00 0.00 175.30 175.67 2yub s ILE 70 N 1.70 2.70 -0.17 4.99 1.01 -1.06 -4.04 121.20 126.33 2yub s ILE 70 Ca -0.00 0.57 0.08 0.00 0.00 0.00 0.00 60.65 61.30 2yub s ILE 70 Cb -0.16 -3.32 -0.16 0.00 0.01 0.00 0.00 42.46 38.84 2yub s ILE 70 CO -0.07 0.04 -0.05 0.18 0.00 0.00 0.00 174.94 175.04 2yub n LEU 71 N -0.25 1.33 -3.97 2.97 4.77 -0.94 -4.28 117.00 116.63 2yub n LEU 71 Ca 0.06 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2yub n LEU 71 Cb 0.45 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 2yub n LEU 71 CO 0.53 0.57 0.03 -1.61 -1.33 0.00 0.00 177.39 175.57 2yub s GLU 72 N -2.37 1.26 -0.08 3.23 2.02 -1.26 -3.14 118.70 118.36 2yub s GLU 72 Ca -0.16 -1.20 -0.03 0.00 0.02 0.00 0.00 54.97 53.60 2yub s GLU 72 Cb 0.05 0.40 0.04 0.00 0.10 0.00 0.00 34.13 34.73 2yub s GLU 72 CO 0.54 -0.48 0.16 0.42 0.02 0.00 0.00 175.26 175.92 2yub s ILE 73 N -3.99 -0.16 0.00 -1.63 1.01 -0.42 -3.25 121.20 112.77 2yub s ILE 73 Ca 0.19 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.10 2yub s ILE 73 Cb 0.02 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2yub s ILE 73 CO 0.03 0.11 0.00 0.59 0.00 0.00 0.00 174.94 175.66 2yub n ASN 74 N 4.75 -3.58 -0.00 3.58 3.02 -0.20 -2.02 115.26 120.80 2yub n ASN 74 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2yub n ASN 74 Cb 0.51 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.20 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 -0.63 1.70 2.94 7.41 0.00 -1.26 -4.92 105.19 110.43 2yub n GLY 75 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.01 0.11 0.18 2.61 2.01 -0.86 -5.14 115.64 112.54 2yub s THR 76 Ca 0.00 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 2yub s THR 76 Cb 0.00 -0.19 -0.08 0.00 0.01 0.00 0.00 72.50 72.23 2yub s THR 76 CO 0.00 -0.28 1.32 -2.16 -0.69 0.00 0.00 174.62 172.81 2yub s PRO 77 N -0.86 4.38 0.07 4.92 0.04 -1.26 -1.30 135.00 140.99 2yub s PRO 77 Ca -0.09 2.04 0.25 0.00 0.04 0.00 0.00 61.00 63.25 2yub s PRO 77 Cb -0.06 -3.21 0.56 0.00 0.04 0.00 0.00 34.50 31.83 2yub s PRO 77 CO -0.00 -0.28 1.47 1.33 0.04 0.00 0.00 177.00 179.55 2yub n VAL 78 N 2.89 0.19 1.15 -0.36 0.24 -1.19 -2.07 118.33 119.20 2yub n VAL 78 Ca 0.07 -0.14 0.14 0.00 -2.04 0.00 0.00 64.34 62.37 2yub n VAL 78 Cb 0.43 -0.07 0.60 0.00 -1.47 0.00 0.00 33.84 33.33 2yub n VAL 78 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2yub n ARG 79 N -1.82 0.18 0.00 7.34 1.85 -1.26 -3.86 116.66 119.09 2yub n ARG 79 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2yub n ARG 79 Cb 0.39 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 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 -1.38 0.00 -0.64 8.89 -2.24 -1.23 -4.71 114.28 112.96 2yub n THR 80 Ca 0.09 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 2yub n THR 80 Cb 0.31 -0.76 0.20 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.81 1.97 0.19 3.22 1.43 -0.88 -4.77 118.68 116.03 2yub s LEU 81 Ca 0.00 1.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.85 2yub s LEU 81 Cb 0.00 -4.07 -0.07 0.00 0.03 0.00 0.00 46.19 42.07 2yub s LEU 81 CO 0.00 -3.57 0.60 -0.13 0.23 0.00 0.00 176.35 173.48 2yub s ARG 82 N -4.57 4.01 0.20 1.70 1.81 -1.26 -2.12 118.95 118.72 2yub s ARG 82 Ca 0.67 0.56 -0.19 0.00 -1.72 0.00 0.00 55.73 55.05 2yub s ARG 82 Cb -0.24 -2.84 0.16 0.00 -0.45 0.00 0.00 34.95 31.59 2yub s ARG 82 CO 0.61 0.41 1.59 0.28 -0.68 0.00 0.00 175.30 177.51 2yub h VAL 83 N 2.61 0.18 -0.85 3.52 2.07 -1.90 0.52 116.25 122.40 2yub h VAL 83 Ca -0.48 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.22 2yub h VAL 83 Cb 1.19 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 2yub h VAL 83 CO 0.66 0.00 0.56 1.05 0.02 0.00 0.00 177.57 179.86 2yub h GLU 84 N -0.12 0.42 -0.02 1.57 4.11 -1.96 0.24 114.58 118.82 2yub h GLU 84 Ca 0.26 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.52 2yub h GLU 84 Cb 0.55 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2yub h GLU 84 CO -0.71 0.28 -0.66 0.93 0.07 0.00 0.00 179.01 178.92 2yub h GLU 85 N 0.43 0.09 -0.02 1.06 4.39 -0.42 -0.36 114.58 119.75 2yub h GLU 85 Ca 0.43 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.89 2yub h GLU 85 Cb 1.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2yub h GLU 85 CO -0.16 0.71 -0.75 0.28 -1.16 0.00 0.00 179.01 177.93 2yub h VAL 86 N 0.06 1.46 0.22 3.13 2.07 0.93 -2.70 116.25 121.43 2yub h VAL 86 Ca -0.01 -2.36 -0.35 0.00 0.82 0.00 0.00 66.70 64.81 2yub h VAL 86 Cb 1.17 2.27 0.02 0.00 -1.52 0.00 0.00 31.29 33.23 2yub h VAL 86 CO 0.09 0.69 -1.62 -0.33 0.02 0.00 0.00 177.57 176.42 2yub h GLU 87 N 0.12 0.47 -0.23 1.57 4.39 -1.10 -3.32 114.58 116.48 2yub h GLU 87 Ca -0.02 -0.80 -0.03 0.00 0.34 0.00 0.00 59.36 58.84 2yub h GLU 87 Cb 1.32 0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 2yub h GLU 87 CO 0.11 1.38 0.01 -0.44 -1.16 0.00 0.00 179.01 178.91 2yub h ASP 88 N 0.13 0.31 -0.29 1.42 3.32 -1.12 -2.03 116.42 118.15 2yub h ASP 88 Ca -0.30 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2yub h ASP 88 Cb 2.14 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 41.59 2yub h ASP 88 CO 0.23 0.36 0.07 0.00 -1.72 0.00 0.00 179.24 178.18 2yub h ALA 89 N 1.69 1.43 0.03 3.45 0.00 -1.57 0.85 119.26 125.14 2yub h ALA 89 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2yub h ALA 89 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2yub h ALA 89 CO 0.00 0.41 -0.02 0.82 0.00 0.00 0.00 179.25 180.47 2yub h ILE 90 N 0.54 1.39 0.00 0.00 1.08 -1.49 -3.19 117.51 115.84 2yub h ILE 90 Ca 0.12 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 2yub h ILE 90 Cb 0.24 2.42 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 2yub h ILE 90 CO -0.00 0.39 0.00 2.29 -0.69 0.00 0.00 178.15 180.14 2yub n LYS 91 N -4.77 0.09 -1.32 2.37 2.85 -0.94 -4.42 118.16 112.02 2yub n LYS 91 Ca -0.09 0.37 -0.31 0.00 -1.05 0.00 0.00 58.31 57.23 2yub n LYS 91 Cb 0.33 -1.69 -0.09 0.00 -0.65 0.00 0.00 35.03 32.93 2yub n LYS 91 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2yub n GLN 92 N -1.87 0.70 -1.08 -1.58 6.02 0.28 -4.68 117.38 115.16 2yub n GLN 92 Ca 0.02 -1.72 -0.25 0.00 -0.01 0.00 0.00 57.00 55.04 2yub n GLN 92 Cb 0.17 -3.31 0.06 0.00 1.02 0.00 0.00 30.24 28.18 2yub n GLN 92 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2yub n THR 93 N 7.64 3.15 0.00 5.09 -2.24 -1.26 -4.07 114.28 122.59 2yub n THR 93 Ca 0.45 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 2yub n THR 93 Cb 0.44 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.19 3.95 -4.81 3.42 2.88 -1.26 0.89 113.62 118.50 2yub n SER 94 Ca 0.44 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.66 2yub n SER 94 Cb 0.61 0.10 -0.06 0.00 -0.75 0.00 0.00 64.21 64.12 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yub s GLN 95 N -1.94 2.23 0.36 -1.46 1.03 -1.26 -4.62 119.66 114.01 2yub s GLN 95 Ca 0.00 -2.37 -0.28 0.00 0.04 0.00 0.00 55.36 52.75 2yub s GLN 95 Cb 0.00 -1.63 -0.10 0.00 0.03 0.00 0.00 33.01 31.31 2yub s GLN 95 CO 0.00 -0.46 1.32 0.99 -2.54 0.00 0.00 175.29 174.60 2yub s THR 96 N -2.88 2.62 -0.15 3.63 2.01 -1.26 -2.31 115.64 117.30 2yub s THR 96 Ca 0.08 0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2yub s THR 96 Cb -0.00 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 69.16 2yub s THR 96 CO 0.05 0.12 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.72 2yub s LEU 97 N -2.05 1.80 -0.15 4.42 2.96 -0.07 -4.85 118.68 120.75 2yub s LEU 97 Ca 0.52 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2yub s LEU 97 Cb -0.40 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2yub s LEU 97 CO 0.52 -0.03 -0.01 -1.10 -1.32 0.00 0.00 176.35 174.41 2yub s GLN 98 N 1.37 3.61 0.06 1.98 -0.21 -1.26 -2.99 119.66 122.22 2yub s GLN 98 Ca 0.04 -0.47 0.09 0.00 0.02 0.00 0.00 55.36 55.04 2yub s GLN 98 Cb -0.13 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 2yub s GLN 98 CO -0.10 0.33 -0.25 -0.51 -2.12 0.00 0.00 175.29 172.63 2yub s LEU 99 N 0.15 2.19 -0.24 2.90 1.43 -0.82 -1.04 118.68 123.26 2yub s LEU 99 Ca 0.00 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2yub s LEU 99 Cb -0.13 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 44.92 2yub s LEU 99 CO 0.02 0.22 -0.13 -0.22 0.23 0.00 0.00 176.35 176.48 2yub s LEU 100 N -1.34 3.04 0.20 1.79 2.96 -1.20 -1.49 118.68 122.62 2yub s LEU 100 Ca 0.11 -1.10 0.03 0.00 -0.22 0.00 0.00 54.13 52.95 2yub s LEU 100 Cb -0.10 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2yub s LEU 100 CO 0.03 -0.13 0.34 -0.63 -1.32 0.00 0.00 176.35 174.64 2yub s ILE 101 N 1.19 5.27 -0.04 6.68 -1.09 -0.48 -2.22 121.20 130.52 2yub s ILE 101 Ca -0.03 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.70 2yub s ILE 101 Cb -0.17 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.93 2yub s ILE 101 CO -0.07 -0.20 -0.10 -0.70 -1.23 0.00 0.00 174.94 172.64 2yub s GLU 102 N -3.53 1.14 0.17 2.79 2.12 -1.26 -1.80 118.70 118.34 2yub s GLU 102 Ca 0.35 -0.33 -0.15 0.00 0.36 0.00 0.00 54.97 55.20 2yub s GLU 102 Cb -0.10 -1.04 -0.07 0.00 0.26 0.00 0.00 34.13 33.18 2yub s GLU 102 CO 0.29 0.09 0.59 -1.58 -0.54 0.00 0.00 175.26 174.11 2yub s HIS 103 N 0.34 3.60 -0.50 5.30 5.65 -0.66 -4.61 115.29 124.41 2yub s HIS 103 Ca -0.06 1.13 0.06 0.00 0.25 0.00 0.00 55.06 56.44 2yub s HIS 103 Cb -0.11 -2.43 0.21 0.00 -1.18 0.00 0.00 32.58 29.08 2yub s HIS 103 CO 0.01 0.39 0.83 -0.40 -0.65 0.00 0.00 174.74 174.92 2yub n ASP 104 N 0.71 -3.10 -0.08 9.88 5.68 -1.26 -4.43 116.55 123.95 2yub n ASP 104 Ca -0.04 -2.99 -0.13 0.00 -0.50 0.00 0.00 54.79 51.13 2yub n ASP 104 Cb 0.52 1.73 -0.05 0.00 -1.14 0.00 0.00 41.12 42.17 2yub n ASP 104 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2yub h PRO 105 N 4.49 0.56 -6.30 0.11 0.13 -2.01 -3.44 132.00 125.54 2yub h PRO 105 Ca -0.04 -0.29 -0.56 0.00 -0.87 0.00 0.00 66.00 64.23 2yub h PRO 105 Cb 1.08 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 2yub h PRO 105 CO 0.14 0.88 -0.03 0.08 -0.23 0.00 0.00 178.00 178.84 2yub s VAL 106 N -4.35 4.75 0.20 1.56 1.01 -1.26 -5.05 120.40 117.26 2yub s VAL 106 Ca -0.13 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 2yub s VAL 106 Cb 0.07 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2yub s VAL 106 CO 0.80 0.42 1.30 -2.16 0.00 0.00 0.00 175.10 175.46 2yub s PRO 107 N -1.46 4.39 -0.15 2.72 0.04 -1.26 -4.91 135.00 134.37 2yub s PRO 107 Ca 0.33 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.44 2yub s PRO 107 Cb -0.18 -3.20 0.27 0.00 0.04 0.00 0.00 34.50 31.44 2yub s PRO 107 CO 0.19 -0.24 1.26 1.04 0.04 0.00 0.00 177.00 179.29 2yub n GLN 108 N 2.61 1.74 -4.21 4.56 1.13 -1.26 -4.79 117.38 117.16 2yub n GLN 108 Ca 0.06 -1.17 -0.28 0.00 -1.94 0.00 0.00 57.00 53.67 2yub n GLN 108 Cb 0.43 -1.54 -0.17 0.00 0.11 0.00 0.00 30.24 29.07 2yub n GLN 108 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2yub s ARG 109 N -1.37 1.95 0.22 -1.09 0.52 -1.26 -5.14 118.95 112.79 2yub s ARG 109 Ca 0.22 -0.44 0.08 0.00 -0.52 0.00 0.00 55.73 55.07 2yub s ARG 109 Cb 0.18 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.83 2yub s ARG 109 CO 0.05 -0.15 0.00 -0.51 0.02 0.00 0.00 175.30 174.71 2yub s LEU 110 N 1.27 3.27 -0.68 2.53 1.02 -1.26 -4.79 118.68 120.04 2yub s LEU 110 Ca -0.02 -0.52 -0.14 0.00 0.02 0.00 0.00 54.13 53.48 2yub s LEU 110 Cb -0.14 -1.85 0.02 0.00 0.02 0.00 0.00 46.19 44.24 2yub s LEU 110 CO -0.05 0.04 0.63 -0.67 0.02 0.00 0.00 176.35 176.32 2yub n ASP 111 N -0.55 -5.28 -3.79 2.29 2.03 -1.26 -4.93 116.55 105.06 2yub n ASP 111 Ca -0.08 -0.61 -0.30 0.00 0.52 0.00 0.00 54.79 54.32 2yub n ASP 111 Cb 0.57 -1.92 0.24 0.00 -0.72 0.00 0.00 41.12 39.29 2yub n ASP 111 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2yub s GLN 112 N -3.92 -1.18 -0.96 -0.67 -0.21 -1.26 -4.91 119.66 106.54 2yub s GLN 112 Ca 0.14 -0.12 -0.23 0.00 0.02 0.00 0.00 55.36 55.17 2yub s GLN 112 Cb -0.02 -1.61 0.06 0.00 1.00 0.00 0.00 33.01 32.44 2yub s GLN 112 CO 0.88 -3.67 1.38 0.45 -2.12 0.00 0.00 175.29 172.21 2yub s SER 113 N -3.99 6.46 0.00 5.90 0.15 -1.26 -4.44 113.70 116.52 2yub s SER 113 Ca 0.71 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2yub s SER 113 Cb -0.09 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2yub s SER 113 CO 0.56 -1.50 0.00 0.61 1.20 0.00 0.00 173.24 174.11 2yub n GLY 114 N 6.49 0.69 0.00 9.45 0.00 -1.26 -5.00 105.19 115.57 2yub n GLY 114 Ca 0.27 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 46.07 2yub n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yub n PRO 115 N 0.00 0.33 0.00 1.61 -0.04 -1.26 -4.98 135.00 130.66 2yub n PRO 115 Ca 0.00 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2yub n PRO 115 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2yub n PRO 115 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yub n SER 116 N -1.16 -1.45 -3.53 3.54 7.64 -1.26 -4.95 113.62 112.45 2yub n SER 116 Ca 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.96 2yub n SER 116 Cb 0.09 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 2yub n SER 116 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yub s SER 117 N -4.00 -0.65 0.00 6.43 1.04 -1.26 -5.29 113.70 109.97 2yub s SER 117 Ca 0.00 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2yub s SER 117 Cb 0.00 1.59 0.00 0.00 0.10 0.00 0.00 66.02 67.71 2yub s SER 117 CO 0.00 -0.14 0.42 0.61 0.98 0.00 0.00 173.24 175.11