#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 -7.78 -2.72 1.61 2.88 -1.26 -4.98 113.62 101.37 2yub n SER 2 Ca 0.00 1.68 -0.08 0.00 -1.33 0.00 0.00 58.87 59.14 2yub n SER 2 Cb 0.00 -4.56 0.10 0.00 -0.75 0.00 0.00 64.21 59.00 2yub n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yub n SER 3 N -2.39 -1.58 -0.96 -3.46 3.41 -1.26 -4.96 113.62 102.42 2yub n SER 3 Ca 0.00 -2.79 0.03 0.00 -0.26 0.00 0.00 58.87 55.85 2yub n SER 3 Cb 0.41 1.02 0.16 0.00 -0.26 0.00 0.00 64.21 65.54 2yub n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yub n GLY 4 N -0.30 1.72 0.28 5.00 0.00 -1.26 -3.95 105.19 106.68 2yub n GLY 4 Ca 0.01 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 0.30 0.83 -3.68 1.61 2.88 -1.26 -4.71 113.62 109.59 2yub n SER 5 Ca 0.11 -1.66 -0.17 0.00 -1.33 0.00 0.00 58.87 55.83 2yub n SER 5 Cb 0.56 -0.06 -0.16 0.00 -0.75 0.00 0.00 64.21 63.79 2yub n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yub s SER 6 N -1.45 0.68 0.00 -3.46 1.04 -1.25 -5.08 113.70 104.17 2yub s SER 6 Ca 0.26 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.00 2yub s SER 6 Cb 0.13 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2yub s SER 6 CO 0.20 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2yub n GLY 7 N 5.19 0.12 3.25 7.32 0.00 -1.26 -5.10 105.19 114.72 2yub n GLY 7 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.03 0.01 0.45 1.61 -7.23 -1.26 -5.17 120.40 108.78 2yub s VAL 8 Ca 0.00 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2yub s VAL 8 Cb 0.00 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 2yub s VAL 8 CO 0.00 -0.03 0.71 -1.10 -0.31 0.00 0.00 175.10 174.37 2yub s GLN 9 N -4.13 3.32 -0.24 4.82 -1.52 -1.26 -5.01 119.66 115.65 2yub s GLN 9 Ca 0.36 -0.14 0.13 0.00 -1.95 0.00 0.00 55.36 53.75 2yub s GLN 9 Cb 0.06 -2.48 0.53 0.00 -0.22 0.00 0.00 33.01 30.89 2yub s GLN 9 CO 0.11 -0.19 1.47 -3.47 -0.25 0.00 0.00 175.29 172.95 2yub n ASP 10 N -2.13 3.35 -4.17 5.90 -0.08 -1.26 -4.97 116.55 113.18 2yub n ASP 10 Ca -0.00 -3.34 -0.27 0.00 -1.51 0.00 0.00 54.79 49.68 2yub n ASP 10 Cb 0.56 -0.60 -0.16 0.00 2.34 0.00 0.00 41.12 43.27 2yub n ASP 10 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2yub s GLN 11 N -3.01 1.75 0.57 -0.67 -0.21 -1.26 -5.12 119.66 111.70 2yub s GLN 11 Ca 0.44 -0.67 -0.20 0.00 0.02 0.00 0.00 55.36 54.94 2yub s GLN 11 Cb 0.37 -1.59 -0.05 0.00 1.00 0.00 0.00 33.01 32.75 2yub s GLN 11 CO 0.06 0.33 1.17 1.28 -2.12 0.00 0.00 175.29 176.01 2yub n LEU 12 N 2.89 4.64 -4.77 2.90 4.77 -1.26 -4.95 117.00 121.22 2yub n LEU 12 Ca -0.17 0.90 -0.37 0.00 -0.03 0.00 0.00 56.01 56.35 2yub n LEU 12 Cb 0.53 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.13 2yub n LEU 12 CO 0.24 -1.18 0.82 -2.16 -1.33 0.00 0.00 177.39 173.79 2yub s PRO 13 N -2.81 3.71 0.22 3.23 0.04 -1.26 -5.06 135.00 133.07 2yub s PRO 13 Ca 0.74 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.56 2yub s PRO 13 Cb -0.43 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 31.79 2yub s PRO 13 CO 0.48 -0.59 0.27 2.48 0.04 0.00 0.00 177.00 179.68 2yub n TYR 14 N -0.59 -2.25 -4.42 0.56 0.18 -1.26 -5.13 117.16 104.25 2yub n TYR 14 Ca 0.08 -0.85 -0.32 0.00 1.88 0.00 0.00 57.90 58.69 2yub n TYR 14 Cb 0.48 -0.20 -0.10 0.00 -0.38 0.00 0.00 39.34 39.14 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 -2.35 4.61 0.35 9.48 0.01 -1.25 -5.00 113.70 119.54 2yub s SER 15 Ca 0.20 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.36 2yub s SER 15 Cb -0.02 -1.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 2yub s SER 15 CO 0.13 0.27 0.29 0.68 0.41 0.00 0.00 173.24 175.01 2yub s VAL 16 N -1.03 3.30 -0.08 3.43 -7.23 -1.26 -1.07 120.40 116.45 2yub s VAL 16 Ca 0.18 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2yub s VAL 16 Cb -0.11 -3.12 0.02 0.00 0.56 0.00 0.00 36.38 33.73 2yub s VAL 16 CO 0.09 -0.14 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.79 2yub s THR 17 N -2.35 0.73 0.02 5.32 2.01 0.82 -4.93 115.64 117.25 2yub s THR 17 Ca 0.42 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.31 2yub s THR 17 Cb -0.05 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2yub s THR 17 CO 0.26 0.30 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.21 2yub s LEU 18 N 1.53 3.18 -0.03 4.42 2.96 -1.26 -0.12 118.68 129.37 2yub s LEU 18 Ca -0.00 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 2yub s LEU 18 Cb -0.13 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.73 2yub s LEU 18 CO -0.04 0.27 0.06 0.27 -1.32 0.00 0.00 176.35 175.58 2yub s ILE 19 N -1.03 -0.02 -0.28 6.68 -0.00 -0.99 -4.99 121.20 120.56 2yub s ILE 19 Ca 0.18 0.09 -0.00 0.00 -0.00 0.00 0.00 60.65 60.92 2yub s ILE 19 Cb -0.11 -0.10 0.09 0.00 -0.00 0.00 0.00 42.46 42.33 2yub s ILE 19 CO 0.09 0.04 0.05 -0.44 -0.00 0.00 0.00 174.94 174.68 2yub s SER 20 N 0.50 3.93 0.03 4.36 0.01 -1.26 -2.41 113.70 118.86 2yub s SER 20 Ca -0.04 -1.50 0.05 0.00 1.31 0.00 0.00 55.95 55.77 2yub s SER 20 Cb -0.06 -0.99 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 2yub s SER 20 CO -0.02 -0.36 -0.15 -0.04 0.41 0.00 0.00 173.24 173.08 2yub s MET 21 N 1.51 1.04 1.05 12.44 -1.94 -1.23 -5.01 119.30 127.16 2yub s MET 21 Ca 0.05 -0.72 -0.14 0.00 -1.71 0.00 0.00 55.69 53.18 2yub s MET 21 Cb -0.18 -1.05 0.21 0.00 2.01 0.00 0.00 34.83 35.82 2yub s MET 21 CO -0.17 0.27 1.10 -1.25 -0.01 0.00 0.00 175.02 174.96 2yub s PRO 22 N -0.95 0.03 0.74 2.03 0.04 -1.26 -1.12 135.00 134.50 2yub s PRO 22 Ca 0.03 0.38 0.01 0.00 0.04 0.00 0.00 61.00 61.46 2yub s PRO 22 Cb -0.07 -1.70 0.14 0.00 0.04 0.00 0.00 34.50 32.91 2yub s PRO 22 CO 0.01 -2.97 1.01 0.00 0.04 0.00 0.00 177.00 175.09 2yub s ALA 23 N -2.97 3.83 0.39 8.56 0.00 -1.08 -4.68 121.76 125.82 2yub s ALA 23 Ca 0.67 -1.91 0.04 0.00 0.00 0.00 0.00 51.96 50.76 2yub s ALA 23 Cb -0.17 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 2yub s ALA 23 CO 0.57 -1.53 0.13 0.95 0.00 0.00 0.00 175.76 175.88 2yub s THR 24 N -3.15 0.63 -0.01 0.00 -4.23 -1.11 -4.91 115.64 102.85 2yub s THR 24 Ca 0.68 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.30 2yub s THR 24 Cb -0.04 -2.40 -0.15 0.00 1.34 0.00 0.00 72.50 71.25 2yub s THR 24 CO 0.45 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.62 2yub h THR 25 N 1.84 1.14 -3.29 3.99 1.03 -1.98 -3.40 112.91 112.25 2yub h THR 25 Ca -0.36 -2.78 -0.55 0.00 -0.01 0.00 0.00 66.41 62.71 2yub h THR 25 Cb 1.27 2.53 0.20 0.00 -1.07 0.00 0.00 68.15 71.08 2yub h THR 25 CO 0.57 0.65 -0.46 -0.62 -0.01 0.00 0.00 175.52 175.65 2yub n GLU 26 N -3.18 0.09 -0.93 0.00 -0.58 -1.26 -4.87 120.64 109.91 2yub n GLU 26 Ca -0.05 0.08 -0.18 0.00 -0.42 0.00 0.00 57.16 56.58 2yub n GLU 26 Cb 0.91 -1.84 0.13 0.00 -0.57 0.00 0.00 31.44 30.07 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 -2.48 0.72 0.00 0.00 6.06 -1.26 -5.08 118.95 116.90 2yub s ARG 28 Ca 0.43 0.96 0.00 0.00 -2.50 0.00 0.00 55.73 54.62 2yub s ARG 28 Cb 0.36 0.29 0.00 0.00 0.06 0.00 0.00 34.95 35.66 2yub s ARG 28 CO 0.08 -0.10 0.00 2.89 -2.50 0.00 0.00 175.30 175.67 2yub n ARG 29 N 3.08 0.55 -0.00 5.12 0.00 -1.26 -5.01 116.66 119.14 2yub n ARG 29 Ca -0.16 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.70 2yub n ARG 29 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 33.02 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 3.11 0.86 2.98 2.89 0.00 -1.26 -5.01 105.19 108.77 2yub n GLY 30 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.14 -0.24 0.43 1.61 -0.12 -1.26 -2.44 117.98 114.82 2yub s PHE 31 Ca 0.01 0.62 0.04 0.00 -0.05 0.00 0.00 56.93 57.54 2yub s PHE 31 Cb 0.01 -0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.38 2yub s PHE 31 CO 0.06 -0.19 0.61 -1.12 -0.05 0.00 0.00 175.22 174.53 2yub s SER 32 N 1.19 5.75 0.02 1.98 0.01 -1.12 -4.94 113.70 116.59 2yub s SER 32 Ca -0.09 -0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.10 2yub s SER 32 Cb -0.11 -1.20 -0.01 0.00 0.21 0.00 0.00 66.02 64.92 2yub s SER 32 CO -0.07 -0.70 0.11 0.68 0.41 0.00 0.00 173.24 173.66 2yub s VAL 33 N -2.44 0.11 0.00 3.43 -7.23 -1.26 -3.15 120.40 109.86 2yub s VAL 33 Ca 0.50 -0.90 -0.06 0.00 -1.81 0.00 0.00 61.98 59.71 2yub s VAL 33 Cb -0.10 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 2yub s VAL 33 CO 0.35 -0.49 0.25 -0.89 -0.31 0.00 0.00 175.10 174.01 2yub s THR 34 N -1.98 5.33 -0.11 5.32 2.01 0.03 -4.84 115.64 121.42 2yub s THR 34 Ca -0.10 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2yub s THR 34 Cb -0.05 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2yub s THR 34 CO -0.02 0.36 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.46 2yub s VAL 35 N -1.30 3.10 -0.11 3.82 1.01 -1.26 -2.73 120.40 122.92 2yub s VAL 35 Ca 0.27 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 2yub s VAL 35 Cb -0.13 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 34.00 2yub s VAL 35 CO 0.16 0.54 -0.03 -1.61 0.00 0.00 0.00 175.10 174.17 2yub s GLU 36 N 0.04 1.03 0.45 2.72 0.41 -0.77 -5.04 118.70 117.54 2yub s GLU 36 Ca -0.04 -0.15 0.07 0.00 -0.41 0.00 0.00 54.97 54.44 2yub s GLU 36 Cb -0.14 -1.43 -0.00 0.00 -1.78 0.00 0.00 34.13 30.78 2yub s GLU 36 CO 0.04 -0.34 0.42 0.45 -0.49 0.00 0.00 175.26 175.34 2yub s SER 37 N 1.83 5.00 -0.37 -0.19 0.15 -1.26 -0.81 113.70 118.05 2yub s SER 37 Ca 0.04 -0.83 -0.02 0.00 0.70 0.00 0.00 55.95 55.84 2yub s SER 37 Cb -0.13 -0.33 0.24 0.00 -1.71 0.00 0.00 66.02 64.09 2yub s SER 37 CO -0.07 -0.79 1.11 0.00 1.20 0.00 0.00 173.24 174.68 2yub n ALA 38 N -1.65 -3.19 0.00 5.45 0.00 -1.26 -4.90 120.51 114.95 2yub n ALA 38 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2yub n ALA 38 Cb 0.62 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 1.97 0.00 -2.65 0.00 2.88 -1.26 -5.01 113.62 109.55 2yub n SER 39 Ca 0.07 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2yub n SER 39 Cb 0.67 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.00 -1.07 -2.24 -3.46 7.64 -1.26 -4.94 113.62 108.28 2yub n SER 40 Ca 0.00 -0.94 -0.01 0.00 1.01 0.00 0.00 58.87 58.93 2yub n SER 40 Cb 0.00 0.54 -0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 2.14 -1.02 -4.23 6.43 5.03 -1.26 -4.83 115.26 117.51 2yub n ASN 41 Ca 0.07 0.40 -0.42 0.00 0.87 0.00 0.00 54.58 55.50 2yub n ASN 41 Cb 0.69 -1.07 -0.07 0.00 -1.02 0.00 0.00 39.78 38.30 2yub n ASN 41 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2yub s TYR 42 N -1.87 3.45 0.16 3.10 1.51 -1.26 -2.84 117.35 119.60 2yub s TYR 42 Ca 0.00 -1.92 -0.20 0.00 -1.01 0.00 0.00 57.07 53.94 2yub s TYR 42 Cb 0.00 -3.56 -0.13 0.00 -0.11 0.00 0.00 41.96 38.16 2yub s TYR 42 CO 0.00 -0.98 0.35 0.00 -1.11 0.00 0.00 175.55 173.81 2yub n ALA 43 N 4.62 -2.41 0.00 3.71 0.00 -1.11 -4.13 120.51 121.19 2yub n ALA 43 Ca -0.03 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2yub n ALA 43 Cb 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.08 0.00 -4.41 0.00 -2.24 0.01 -4.24 114.28 103.32 2yub n THR 44 Ca 0.13 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 2yub n THR 44 Cb 0.20 -0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.26 0.87 -0.06 4.28 2.01 -0.85 -4.51 115.64 116.12 2yub s THR 45 Ca 0.00 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.44 2yub s THR 45 Cb 0.00 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.77 2yub s THR 45 CO 0.00 0.16 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.26 2yub s VAL 46 N -0.42 1.21 -0.12 3.82 1.01 -1.26 -1.85 120.40 122.79 2yub s VAL 46 Ca 0.03 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2yub s VAL 46 Cb -0.05 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.26 2yub s VAL 46 CO -0.00 0.37 -0.13 -1.10 0.00 0.00 0.00 175.10 174.24 2yub s GLN 47 N 0.51 2.08 -0.52 2.72 -0.21 -1.11 -1.52 119.66 121.61 2yub s GLN 47 Ca -0.12 -0.49 -0.27 0.00 0.02 0.00 0.00 55.36 54.50 2yub s GLN 47 Cb -0.15 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 2yub s GLN 47 CO 0.04 -0.16 2.11 0.08 -2.12 0.00 0.00 175.29 175.23 2yub s VAL 48 N 1.30 3.20 0.00 1.09 1.01 -0.96 -0.79 120.40 125.26 2yub s VAL 48 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2yub s VAL 48 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2yub s VAL 48 CO -0.06 -0.45 1.00 1.17 0.00 0.00 0.00 175.10 176.76 2yub n LYS 49 N 9.04 0.00 -4.07 2.72 4.81 -1.19 -3.42 118.16 126.05 2yub n LYS 49 Ca 0.28 0.61 -0.08 0.00 -0.87 0.00 0.00 58.31 58.25 2yub n LYS 49 Cb 0.53 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.98 2yub n LYS 49 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2yub s GLU 50 N -2.99 0.55 -0.03 1.64 2.02 -1.25 -4.65 118.70 114.00 2yub s GLU 50 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.92 2yub s GLU 50 Cb 0.00 0.15 0.03 0.00 0.10 0.00 0.00 34.13 34.41 2yub s GLU 50 CO 0.00 -0.09 0.00 0.08 0.02 0.00 0.00 175.26 175.28 2yub s VAL 51 N -3.28 0.16 -0.19 2.63 1.01 -1.26 -2.81 120.40 116.66 2yub s VAL 51 Ca 0.02 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.89 2yub s VAL 51 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2yub s VAL 51 CO -0.07 0.14 0.59 0.21 0.00 0.00 0.00 175.10 175.97 2yub s ASN 52 N 1.03 6.65 0.00 3.32 3.84 -1.02 -4.91 114.94 123.85 2yub s ASN 52 Ca -0.10 0.79 0.28 0.00 0.21 0.00 0.00 52.86 54.04 2yub s ASN 52 Cb -0.13 -2.33 1.02 0.00 -0.55 0.00 0.00 41.25 39.26 2yub s ASN 52 CO -0.02 -0.23 1.75 0.54 -2.79 0.00 0.00 177.10 176.35 2yub n ARG 53 N 4.91 0.37 0.01 0.43 3.00 -1.26 -3.36 116.66 120.76 2yub n ARG 53 Ca -0.03 -0.14 0.11 0.00 -0.01 0.00 0.00 57.85 57.78 2yub n ARG 53 Cb 0.50 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.45 2yub n ARG 53 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2yub n MET 54 N -1.20 0.11 -0.42 5.56 2.81 -1.26 -4.05 117.12 118.68 2yub n MET 54 Ca 0.10 -0.02 0.08 0.00 -1.81 0.00 0.00 57.70 56.06 2yub n MET 54 Cb 0.31 -1.52 0.25 0.00 -0.71 0.00 0.00 33.22 31.55 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 -1.66 0.95 -3.65 2.03 8.25 -1.21 -4.89 115.22 115.03 2yub n HIS 55 Ca 0.03 -0.71 -0.24 0.00 -0.26 0.00 0.00 57.72 56.54 2yub n HIS 55 Cb 0.37 -0.23 -0.17 0.00 1.12 0.00 0.00 29.99 31.08 2yub n HIS 55 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2yub s ILE 56 N -2.12 -0.00 0.68 1.59 1.01 -1.25 -4.81 121.20 116.30 2yub s ILE 56 Ca 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.87 2yub s ILE 56 Cb 0.28 -0.48 -0.11 0.00 0.01 0.00 0.00 42.46 42.16 2yub s ILE 56 CO 0.14 -0.09 0.03 -1.20 0.00 0.00 0.00 174.94 173.81 2yub n SER 57 N 5.25 -3.05 -3.44 3.58 7.64 -1.26 -4.61 113.62 117.74 2yub n SER 57 Ca -0.06 0.55 -0.34 0.00 1.01 0.00 0.00 58.87 60.03 2yub n SER 57 Cb 0.49 -0.99 -0.04 0.00 -1.01 0.00 0.00 64.21 62.66 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 0.79 1.54 0.00 1.43 -0.04 -1.26 -3.13 135.00 134.33 2yub n PRO 58 Ca 0.07 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 2yub n PRO 58 Cb 0.50 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2yub n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2yub n ASN 59 N 6.36 0.00 -0.53 3.54 4.13 -1.26 -4.92 115.26 122.58 2yub n ASN 59 Ca 0.45 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.83 2yub n ASN 59 Cb 0.30 0.35 0.05 0.00 -1.54 0.00 0.00 39.78 38.93 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2yub n ASN 60 N -2.20 2.04 -0.01 6.41 3.02 -1.18 -4.08 115.26 119.26 2yub n ASN 60 Ca 0.00 -1.51 0.13 0.00 -0.03 0.00 0.00 54.58 53.17 2yub n ASN 60 Cb 0.00 0.39 0.51 0.00 -0.61 0.00 0.00 39.78 40.07 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 0.08 0.06 0.00 3.52 1.85 -1.22 -3.20 116.66 117.74 2yub n ARG 61 Ca 0.10 -0.02 0.12 0.00 -1.00 0.00 0.00 57.85 57.05 2yub n ARG 61 Cb 0.47 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.49 2yub n ARG 61 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2yub n ASN 62 N -1.46 1.80 -0.09 2.89 4.13 -1.26 -4.17 115.26 117.10 2yub n ASN 62 Ca 0.07 -1.37 -0.07 0.00 1.68 0.00 0.00 54.58 54.89 2yub n ASN 62 Cb 0.33 0.37 -0.16 0.00 -1.54 0.00 0.00 39.78 38.78 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yub n ALA 63 N -0.14 1.69 -2.62 5.41 0.00 -1.20 -4.99 120.51 118.67 2yub n ALA 63 Ca 0.10 -1.21 -0.23 0.00 0.00 0.00 0.00 53.44 52.11 2yub n ALA 63 Cb 0.44 -0.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.62 3.51 -0.25 0.00 2.07 -1.23 -4.92 121.20 117.76 2yub s ILE 64 Ca -0.10 -1.67 -0.31 0.00 -1.41 0.00 0.00 60.65 57.17 2yub s ILE 64 Cb 0.07 -3.05 0.17 0.00 0.13 0.00 0.00 42.46 39.78 2yub s ILE 64 CO 0.83 -0.28 1.27 -1.38 -1.91 0.00 0.00 174.94 173.47 2yub s HIS 65 N -2.32 -0.11 0.05 3.50 -3.43 -1.26 -4.88 115.29 106.84 2yub s HIS 65 Ca 0.35 0.17 -0.31 0.00 -0.80 0.00 0.00 55.06 54.48 2yub s HIS 65 Cb -0.05 0.49 -0.07 0.00 -1.43 0.00 0.00 32.58 31.52 2yub s HIS 65 CO 0.23 -0.12 1.41 -1.25 -2.00 0.00 0.00 174.74 173.01 2yub s PRO 66 N -1.29 4.30 0.00 -0.38 0.04 -1.26 -3.49 135.00 132.91 2yub s PRO 66 Ca 0.07 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2yub s PRO 66 Cb -0.01 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2yub s PRO 66 CO -0.05 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2yub n GLY 67 N 3.60 1.27 2.33 0.56 0.00 -1.22 -5.06 105.19 106.67 2yub n GLY 67 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 1.30 -4.18 1.61 9.92 -1.23 -4.97 116.55 119.01 2yub n ASP 68 Ca 0.00 -1.93 -0.17 0.00 -0.53 0.00 0.00 54.79 52.16 2yub n ASP 68 Cb 0.00 -0.24 -0.11 0.00 -0.64 0.00 0.00 41.12 40.12 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 -3.56 0.84 -0.15 -1.24 3.03 -1.26 -2.25 118.95 114.35 2yub s ARG 69 Ca 0.36 -1.04 -0.05 0.00 2.03 0.00 0.00 55.73 57.03 2yub s ARG 69 Cb -0.03 -0.73 -0.03 0.00 -1.03 0.00 0.00 34.95 33.12 2yub s ARG 69 CO 0.23 0.15 0.01 0.42 -1.13 0.00 0.00 175.30 174.97 2yub s ILE 70 N -1.70 4.34 -0.18 4.99 1.01 -0.58 -3.19 121.20 125.89 2yub s ILE 70 Ca 0.01 -0.20 0.18 0.00 0.00 0.00 0.00 60.65 60.64 2yub s ILE 70 Cb -0.07 -2.91 -0.26 0.00 0.01 0.00 0.00 42.46 39.23 2yub s ILE 70 CO 0.02 0.50 0.11 0.18 0.00 0.00 0.00 174.94 175.75 2yub n LEU 71 N 3.24 0.01 -3.87 2.97 4.77 -0.80 -3.98 117.00 119.33 2yub n LEU 71 Ca -0.17 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 2yub n LEU 71 Cb 0.53 0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 41.98 2yub n LEU 71 CO 0.33 0.46 -0.15 -1.61 -1.33 0.00 0.00 177.39 175.09 2yub s GLU 72 N -2.58 0.61 -0.04 3.23 2.02 -1.26 -2.63 118.70 118.06 2yub s GLU 72 Ca -0.10 -0.60 -0.00 0.00 0.02 0.00 0.00 54.97 54.29 2yub s GLU 72 Cb 0.07 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.57 2yub s GLU 72 CO 0.84 -0.16 0.01 0.42 0.02 0.00 0.00 175.26 176.39 2yub s ILE 73 N -2.25 0.15 0.00 -1.63 1.01 -0.97 -2.10 121.20 115.41 2yub s ILE 73 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2yub s ILE 73 Cb -0.03 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.15 2yub s ILE 73 CO -0.02 0.17 0.00 0.59 0.00 0.00 0.00 174.94 175.68 2yub n ASN 74 N 4.55 -4.41 -0.28 3.58 3.02 0.02 -2.73 115.26 119.01 2yub n ASN 74 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2yub n ASN 74 Cb 0.50 -2.38 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 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 -0.55 0.74 3.22 7.41 0.00 -1.26 -4.82 105.19 109.94 2yub n GLY 75 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.09 0.05 -0.02 2.61 2.01 -1.10 -5.13 115.64 111.96 2yub s THR 76 Ca 0.00 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 2yub s THR 76 Cb 0.00 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 2yub s THR 76 CO 0.00 -0.23 1.47 -2.16 -0.69 0.00 0.00 174.62 173.01 2yub s PRO 77 N -1.10 4.25 0.27 4.92 0.04 -1.26 -2.28 135.00 139.83 2yub s PRO 77 Ca -0.12 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.07 2yub s PRO 77 Cb -0.05 -3.68 0.28 0.00 0.04 0.00 0.00 34.50 31.09 2yub s PRO 77 CO 0.03 -0.66 1.55 -0.39 0.04 0.00 0.00 177.00 177.57 2yub h VAL 78 N 5.11 1.28 -0.25 -0.36 -1.51 -1.87 -2.58 116.25 116.07 2yub h VAL 78 Ca -0.37 -2.26 0.07 0.00 -1.23 0.00 0.00 66.70 62.91 2yub h VAL 78 Cb 1.17 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 32.60 2yub h VAL 78 CO 0.92 0.61 0.21 0.08 -1.23 0.00 0.00 177.57 178.17 2yub h ARG 79 N 0.00 0.00 0.02 5.19 -0.00 -1.79 -2.50 114.38 115.30 2yub h ARG 79 Ca -0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 59.98 59.60 2yub h ARG 79 Cb 1.23 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.14 2yub h ARG 79 CO 0.08 0.00 -2.36 0.25 -0.00 0.00 0.00 179.97 177.94 2yub n THR 80 N -4.11 1.52 -1.52 0.08 -2.24 -1.17 -4.66 114.28 102.18 2yub n THR 80 Ca 0.03 -0.65 -0.40 0.00 -2.27 0.00 0.00 64.05 60.77 2yub n THR 80 Cb 0.36 -1.27 0.02 0.00 -2.10 0.00 0.00 70.33 67.34 2yub n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yub n LEU 81 N -3.19 1.39 -4.92 3.22 4.77 -0.94 -4.80 117.00 112.52 2yub n LEU 81 Ca -0.40 0.87 -0.26 0.00 -0.03 0.00 0.00 56.01 56.18 2yub n LEU 81 Cb 1.03 -1.23 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2yub n LEU 81 CO 0.32 -2.47 0.53 -0.13 -1.33 0.00 0.00 177.39 174.32 2yub s ARG 82 N -2.02 2.82 0.09 3.23 0.52 -1.26 -2.74 118.95 119.60 2yub s ARG 82 Ca 0.67 -0.08 -0.35 0.00 -0.52 0.00 0.00 55.73 55.45 2yub s ARG 82 Cb -0.51 -2.28 -0.16 0.00 0.52 0.00 0.00 34.95 32.52 2yub s ARG 82 CO 0.55 -0.75 1.57 0.28 0.02 0.00 0.00 175.30 176.97 2yub h VAL 83 N -0.20 0.05 0.00 3.52 2.07 -1.88 -0.13 116.25 119.68 2yub h VAL 83 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2yub h VAL 83 Cb 1.26 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2yub h VAL 83 CO 0.60 0.00 0.05 1.05 0.02 0.00 0.00 177.57 179.29 2yub h GLU 84 N -0.91 0.00 0.07 1.57 4.11 -1.95 -2.65 114.58 114.81 2yub h GLU 84 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 2yub h GLU 84 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2yub h GLU 84 CO -0.12 0.00 -0.03 0.93 0.07 0.00 0.00 179.01 179.86 2yub h GLU 85 N 0.00 -0.09 -0.56 1.06 4.39 -1.45 -3.06 114.58 114.88 2yub h GLU 85 Ca 0.00 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.80 2yub h GLU 85 Cb 0.09 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.65 2yub h GLU 85 CO 0.00 -0.06 -0.35 0.28 -1.16 0.00 0.00 179.01 177.72 2yub h VAL 86 N -0.35 0.17 -0.17 3.13 2.07 -1.05 -0.83 116.25 119.22 2yub h VAL 86 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2yub h VAL 86 Cb 0.07 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 2yub h VAL 86 CO 0.02 0.00 -0.35 1.05 0.02 0.00 0.00 177.57 178.31 2yub h GLU 87 N -0.19 -0.30 -0.49 1.57 -0.00 -1.64 -2.21 114.58 111.32 2yub h GLU 87 Ca 0.22 0.02 0.09 0.00 -0.00 0.00 0.00 59.36 59.68 2yub h GLU 87 Cb 0.55 0.07 -0.10 0.00 -0.00 0.00 0.00 28.75 29.27 2yub h GLU 87 CO -0.66 -0.20 -0.35 0.22 -0.00 0.00 0.00 179.01 178.02 2yub h ASP 88 N -0.32 -1.19 -0.78 3.06 1.82 -1.30 0.65 116.42 118.36 2yub h ASP 88 Ca 0.03 0.21 0.32 0.00 -0.39 0.00 0.00 57.03 57.21 2yub h ASP 88 Cb 0.41 0.56 -0.14 0.00 0.68 0.00 0.00 39.33 40.84 2yub h ASP 88 CO -0.32 -0.32 0.42 0.00 -1.61 0.00 0.00 179.24 177.41 2yub n ALA 89 N -3.08 0.80 -0.02 -0.78 0.00 -0.37 0.13 120.51 117.19 2yub n ALA 89 Ca 0.02 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 54.11 2yub n ALA 89 Cb 0.35 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 2yub n ALA 89 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2yub h ILE 90 N 0.00 1.42 0.00 0.00 1.08 -0.72 -3.03 117.51 116.27 2yub h ILE 90 Ca 0.65 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 2yub h ILE 90 Cb 1.74 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 37.80 2yub h ILE 90 CO -0.58 0.34 0.00 0.29 -0.69 0.00 0.00 178.15 177.50 2yub n LYS 91 N -4.83 0.81 -1.21 2.37 5.02 0.35 -4.24 118.16 116.42 2yub n LYS 91 Ca -0.09 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.89 2yub n LYS 91 Cb 0.28 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 2yub n LYS 91 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2yub n GLN 92 N -0.94 3.21 -1.05 1.97 6.02 0.25 -4.75 117.38 122.09 2yub n GLN 92 Ca 0.17 -1.86 -0.22 0.00 -0.01 0.00 0.00 57.00 55.07 2yub n GLN 92 Cb 0.08 -2.58 -0.10 0.00 1.02 0.00 0.00 30.24 28.66 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 3.31 3.32 -0.01 5.09 -2.24 -1.26 -3.77 114.28 118.71 2yub n THR 93 Ca 0.69 -1.83 -0.01 0.00 -2.27 0.00 0.00 64.05 60.62 2yub n THR 93 Cb 0.41 -2.22 -0.02 0.00 -2.10 0.00 0.00 70.33 66.39 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 3.08 4.29 -2.07 3.42 2.88 -1.26 -2.76 113.62 121.19 2yub n SER 94 Ca 0.55 -0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 58.00 2yub n SER 94 Cb 0.55 0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 64.55 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 -2.11 0.33 -1.91 -1.46 6.02 -1.25 -4.63 117.38 112.38 2yub n GLN 95 Ca -0.05 -1.41 -0.42 0.00 -0.01 0.00 0.00 57.00 55.11 2yub n GLN 95 Cb 0.59 1.05 -0.03 0.00 1.02 0.00 0.00 30.24 32.88 2yub n GLN 95 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2yub s THR 96 N -2.47 3.41 -0.28 5.09 -4.23 -1.26 -2.63 115.64 113.27 2yub s THR 96 Ca 0.15 0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 61.04 2yub s THR 96 Cb 0.01 -3.37 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 2yub s THR 96 CO 0.10 -0.11 0.15 -0.22 -0.54 0.00 0.00 174.62 174.00 2yub s LEU 97 N 5.08 3.89 0.16 4.79 2.96 -0.27 -4.93 118.68 130.36 2yub s LEU 97 Ca 0.80 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 2yub s LEU 97 Cb -0.33 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 2yub s LEU 97 CO 0.33 -0.09 0.36 -1.10 -1.32 0.00 0.00 176.35 174.52 2yub s GLN 98 N 1.68 3.54 -0.02 1.98 -0.21 -1.26 -3.56 119.66 121.81 2yub s GLN 98 Ca 0.06 -0.26 -0.01 0.00 0.02 0.00 0.00 55.36 55.17 2yub s GLN 98 Cb -0.16 -2.87 0.02 0.00 1.00 0.00 0.00 33.01 31.00 2yub s GLN 98 CO 0.07 0.46 0.04 -0.51 -2.12 0.00 0.00 175.29 173.23 2yub s LEU 99 N -2.95 1.37 -0.40 2.90 1.43 -1.01 -0.80 118.68 119.22 2yub s LEU 99 Ca 0.39 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2yub s LEU 99 Cb -0.12 0.04 0.10 0.00 0.03 0.00 0.00 46.19 46.24 2yub s LEU 99 CO 0.27 -0.08 0.19 -0.22 0.23 0.00 0.00 176.35 176.74 2yub s LEU 100 N 0.66 5.09 0.27 1.79 2.96 -0.89 -2.33 118.68 126.23 2yub s LEU 100 Ca -0.05 -1.89 -0.03 0.00 -0.22 0.00 0.00 54.13 51.94 2yub s LEU 100 Cb -0.08 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 2yub s LEU 100 CO -0.02 -0.51 0.51 -0.63 -1.32 0.00 0.00 176.35 174.37 2yub s ILE 101 N 1.18 5.09 -0.06 6.68 -1.09 0.83 -1.91 121.20 131.92 2yub s ILE 101 Ca 0.06 -0.13 0.05 0.00 -2.23 0.00 0.00 60.65 58.40 2yub s ILE 101 Cb -0.22 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 2yub s ILE 101 CO -0.03 -0.31 -0.21 -0.70 -1.23 0.00 0.00 174.94 172.45 2yub s GLU 102 N -3.59 2.27 -0.42 2.79 -6.30 -1.19 -0.13 118.70 112.12 2yub s GLU 102 Ca 0.42 -0.76 -0.15 0.00 -2.50 0.00 0.00 54.97 51.98 2yub s GLU 102 Cb -0.11 -1.90 0.04 0.00 0.00 0.00 0.00 34.13 32.16 2yub s GLU 102 CO 0.30 0.28 0.32 -1.01 0.02 0.00 0.00 175.26 175.17 2yub s HIS 103 N 0.03 3.24 0.42 5.30 3.76 -0.24 -4.57 115.29 123.24 2yub s HIS 103 Ca -0.06 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.13 2yub s HIS 103 Cb -0.14 -2.74 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 2yub s HIS 103 CO 0.04 -0.66 0.63 0.16 -0.85 0.00 0.00 174.74 174.06 2yub s ASP 104 N 1.93 5.93 0.19 1.40 1.47 -1.26 -3.95 116.67 122.39 2yub s ASP 104 Ca 0.04 0.28 -0.05 0.00 1.18 0.00 0.00 52.55 54.01 2yub s ASP 104 Cb -0.21 -1.60 0.12 0.00 -0.34 0.00 0.00 42.92 40.89 2yub s ASP 104 CO 0.09 -0.60 1.55 1.55 0.68 0.00 0.00 175.17 178.43 2yub h PRO 105 N 0.51 0.69 -4.09 2.11 0.13 -1.99 -3.46 132.00 125.90 2yub h PRO 105 Ca -0.47 -0.36 -0.44 0.00 -0.87 0.00 0.00 66.00 63.86 2yub h PRO 105 Cb 1.25 0.01 0.09 0.00 0.13 0.00 0.00 31.00 32.48 2yub h PRO 105 CO 0.58 0.97 -0.48 1.55 -0.23 0.00 0.00 178.00 180.39 2yub n VAL 106 N -4.03 0.97 -1.81 1.56 3.14 -1.26 -4.86 118.33 112.04 2yub n VAL 106 Ca -0.02 -0.34 -0.33 0.00 -2.96 0.00 0.00 64.34 60.69 2yub n VAL 106 Cb 0.53 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.36 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 -0.68 2.86 0.00 1.45 0.04 -1.26 -5.07 135.00 132.34 2yub s PRO 107 Ca 0.42 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2yub s PRO 107 Cb -0.55 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2yub s PRO 107 CO 0.40 -1.21 0.00 0.94 0.04 0.00 0.00 177.00 177.17 2yub n GLN 108 N -2.29 2.40 -2.92 4.56 7.27 -1.26 -4.91 117.38 120.22 2yub n GLN 108 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.17 2yub n GLN 108 Cb 0.52 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.17 2yub n GLN 108 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2yub n ARG 109 N -0.11 -2.16 -0.64 3.69 5.12 -1.26 -4.95 116.66 116.36 2yub n ARG 109 Ca 0.00 1.95 -0.29 0.00 -1.93 0.00 0.00 57.85 57.57 2yub n ARG 109 Cb 0.00 -3.39 0.26 0.00 -1.16 0.00 0.00 32.46 28.17 2yub n ARG 109 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2yub s LEU 110 N -1.26 0.18 -0.12 0.55 1.02 -1.26 -4.85 118.68 112.94 2yub s LEU 110 Ca -0.02 1.10 -0.02 0.00 0.02 0.00 0.00 54.13 55.21 2yub s LEU 110 Cb 0.00 -2.83 -0.02 0.00 0.02 0.00 0.00 46.19 43.36 2yub s LEU 110 CO 0.43 -4.50 2.52 0.47 0.02 0.00 0.00 176.35 175.29 2yub n ASP 111 N -5.08 5.68 -3.38 2.29 8.00 -1.26 -4.84 116.55 117.96 2yub n ASP 111 Ca 0.08 -2.65 -0.16 0.00 0.71 0.00 0.00 54.79 52.77 2yub n ASP 111 Cb 0.57 -1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 2yub n ASP 111 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2yub n GLN 112 N 1.46 1.32 0.04 -1.24 -0.06 -1.26 -5.08 117.38 112.56 2yub n GLN 112 Ca 0.23 -1.86 0.00 0.00 -2.00 0.00 0.00 57.00 53.37 2yub n GLN 112 Cb 0.63 0.45 0.00 0.00 -4.06 0.00 0.00 30.24 27.26 2yub n GLN 112 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2yub n SER 113 N -1.29 -0.70 -2.66 1.69 3.41 -1.26 -5.08 113.62 107.73 2yub n SER 113 Ca -0.09 0.18 -0.04 0.00 -0.26 0.00 0.00 58.87 58.65 2yub n SER 113 Cb 0.33 0.96 0.08 0.00 -0.26 0.00 0.00 64.21 65.31 2yub n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yub n GLY 114 N -1.47 -1.83 3.57 5.00 0.00 -1.26 -5.11 105.19 104.08 2yub n GLY 114 Ca 0.00 1.05 -0.40 0.00 0.00 0.00 0.00 46.02 46.66 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 0.09 2.94 0.20 1.61 0.04 -1.26 -4.93 135.00 133.69 2yub s PRO 115 Ca 0.26 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 61.97 2yub s PRO 115 Cb 0.20 -4.29 -0.14 0.00 0.04 0.00 0.00 34.50 30.31 2yub s PRO 115 CO -0.07 -2.35 0.35 0.45 0.04 0.00 0.00 177.00 175.41 2yub n SER 116 N 11.60 -1.31 -0.30 6.66 2.88 -1.26 0.10 113.62 132.00 2yub n SER 116 Ca 0.21 0.86 -0.04 0.00 -1.33 0.00 0.00 58.87 58.57 2yub n SER 116 Cb 0.50 -0.76 -0.02 0.00 -0.75 0.00 0.00 64.21 63.18 2yub n SER 116 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yub n SER 117 N 1.69 -5.16 0.00 -3.46 7.64 -1.26 -5.29 113.62 107.78 2yub n SER 117 Ca 0.13 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2yub n SER 117 Cb 0.23 -3.00 0.00 0.00 -1.01 0.00 0.00 64.21 60.43 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64