#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 -6.87 -4.77 1.61 2.88 -1.26 -4.90 113.62 100.32 2yub n SER 2 Ca 0.00 0.40 -0.40 0.00 -1.33 0.00 0.00 58.87 57.54 2yub n SER 2 Cb 0.00 -3.44 -0.03 0.00 -0.75 0.00 0.00 64.21 59.98 2yub n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yub s SER 3 N -1.80 6.92 0.42 -3.46 0.01 -1.26 -4.98 113.70 109.55 2yub s SER 3 Ca 0.22 2.36 -0.26 0.00 1.31 0.00 0.00 55.95 59.59 2yub s SER 3 Cb -0.04 -2.63 -0.08 0.00 0.21 0.00 0.00 66.02 63.48 2yub s SER 3 CO 0.69 -0.39 1.32 -0.83 0.41 0.00 0.00 173.24 174.44 2yub s GLY 4 N -0.91 2.92 1.25 3.44 0.00 -1.26 -4.99 107.32 107.77 2yub s GLY 4 Ca 0.50 1.27 -0.15 0.00 0.00 0.00 0.00 44.72 46.34 2yub s GLY 4 CO 0.42 1.85 0.99 -0.56 0.00 0.00 0.00 173.10 175.81 2yub s SER 5 N -0.72 0.23 -0.11 1.64 0.01 -1.26 -4.98 113.70 108.52 2yub s SER 5 Ca 0.58 1.38 0.15 0.00 1.31 0.00 0.00 55.95 59.37 2yub s SER 5 Cb -0.39 -2.12 0.33 0.00 0.21 0.00 0.00 66.02 64.05 2yub s SER 5 CO 0.50 -4.64 1.16 -1.20 0.41 0.00 0.00 173.24 169.46 2yub n SER 6 N -5.20 1.43 -2.69 2.44 7.64 -1.26 -4.80 113.62 111.18 2yub n SER 6 Ca 0.04 -2.97 -0.07 0.00 1.01 0.00 0.00 58.87 56.89 2yub n SER 6 Cb 0.55 -0.40 0.07 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.64 1.53 3.13 0.23 0.00 -1.26 -5.07 105.19 103.12 2yub n GLY 7 Ca 0.12 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.32 2yub n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yub n VAL 8 N -0.40 -2.42 -2.42 1.61 0.31 -1.26 -4.90 118.33 108.85 2yub n VAL 8 Ca 0.03 0.48 -0.29 0.00 -0.01 0.00 0.00 64.34 64.55 2yub n VAL 8 Cb 0.83 -3.13 0.00 0.00 -0.91 0.00 0.00 33.84 30.64 2yub n VAL 8 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2yub n GLN 9 N 1.58 3.34 0.00 5.55 7.27 -1.26 -4.70 117.38 129.15 2yub n GLN 9 Ca -0.01 -4.38 0.13 0.00 0.07 0.00 0.00 57.00 52.82 2yub n GLN 9 Cb 0.36 -2.25 0.38 0.00 2.41 0.00 0.00 30.24 31.13 2yub n GLN 9 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2yub n ASP 10 N -0.47 1.11 -1.73 1.69 5.68 -1.26 -4.90 116.55 116.67 2yub n ASP 10 Ca 0.41 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 2yub n ASP 10 Cb 0.58 0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 2yub n ASP 10 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2yub n GLN 11 N -0.54 1.37 -4.21 0.11 0.00 -1.26 -5.13 117.38 107.72 2yub n GLN 11 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 57.00 56.95 2yub n GLN 11 Cb 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.47 2yub n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2yub s LEU 12 N 0.00 2.23 0.23 2.61 1.43 -1.26 -5.13 118.68 118.78 2yub s LEU 12 Ca 0.00 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2yub s LEU 12 Cb 0.00 -0.46 -0.09 0.00 0.03 0.00 0.00 46.19 45.67 2yub s LEU 12 CO 0.00 -0.06 1.28 -2.16 0.23 0.00 0.00 176.35 175.64 2yub s PRO 13 N -1.43 4.41 0.00 1.29 0.04 -1.26 -5.00 135.00 133.05 2yub s PRO 13 Ca -0.02 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2yub s PRO 13 Cb -0.09 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2yub s PRO 13 CO 0.01 -0.19 0.00 2.48 0.04 0.00 0.00 177.00 179.35 2yub n TYR 14 N 2.19 0.00 -4.25 0.56 0.18 -1.26 -4.87 117.16 109.71 2yub n TYR 14 Ca 0.04 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.65 2yub n TYR 14 Cb 0.43 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.28 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 -2.71 1.99 0.00 9.48 0.01 -1.21 -5.09 113.70 116.17 2yub s SER 15 Ca 0.00 -0.88 -0.01 0.00 1.31 0.00 0.00 55.95 56.36 2yub s SER 15 Cb 0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 2yub s SER 15 CO 0.00 -0.20 0.02 -0.69 0.41 0.00 0.00 173.24 172.79 2yub s VAL 16 N -2.52 0.05 -0.13 3.43 1.01 -1.26 -2.72 120.40 118.26 2yub s VAL 16 Ca 0.12 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2yub s VAL 16 Cb -0.03 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.19 2yub s VAL 16 CO 0.03 -0.24 -0.18 -0.89 0.00 0.00 0.00 175.10 173.82 2yub s THR 17 N -0.71 1.78 -0.09 3.92 2.01 -1.05 -5.00 115.64 116.51 2yub s THR 17 Ca -0.08 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.16 2yub s THR 17 Cb -0.05 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 2yub s THR 17 CO -0.00 0.49 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.98 2yub s LEU 18 N 0.99 2.22 -0.17 4.42 2.96 -1.26 -1.27 118.68 126.56 2yub s LEU 18 Ca -0.05 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 2yub s LEU 18 Cb -0.15 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.14 2yub s LEU 18 CO -0.04 0.20 -0.13 0.27 -1.32 0.00 0.00 176.35 175.34 2yub s ILE 19 N 0.09 1.62 -0.47 6.68 -0.00 -1.02 -5.01 121.20 123.09 2yub s ILE 19 Ca -0.10 -0.80 -0.04 0.00 -0.00 0.00 0.00 60.65 59.71 2yub s ILE 19 Cb -0.16 -1.59 0.12 0.00 -0.00 0.00 0.00 42.46 40.84 2yub s ILE 19 CO 0.06 0.34 0.28 -0.44 -0.00 0.00 0.00 174.94 175.18 2yub s SER 20 N 1.44 5.35 0.08 4.36 0.01 -1.26 -2.26 113.70 121.42 2yub s SER 20 Ca 0.02 -2.18 0.10 0.00 1.31 0.00 0.00 55.95 55.20 2yub s SER 20 Cb -0.14 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 2yub s SER 20 CO -0.10 -0.54 -0.26 0.00 0.41 0.00 0.00 173.24 172.75 2yub s MET 21 N 0.93 1.60 0.91 12.44 0.23 -1.23 -5.01 119.30 129.17 2yub s MET 21 Ca 0.10 -1.19 -0.12 0.00 -1.03 0.00 0.00 55.69 53.45 2yub s MET 21 Cb -0.23 -1.90 0.14 0.00 -1.53 0.00 0.00 34.83 31.31 2yub s MET 21 CO -0.04 0.47 1.09 -1.25 -2.03 0.00 0.00 175.02 173.27 2yub s PRO 22 N -1.55 1.13 0.28 3.16 0.04 -1.26 -0.20 135.00 136.60 2yub s PRO 22 Ca 0.12 0.77 -0.05 0.00 0.04 0.00 0.00 61.00 61.89 2yub s PRO 22 Cb -0.10 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.71 2yub s PRO 22 CO 0.04 -2.32 0.28 0.00 0.04 0.00 0.00 177.00 175.03 2yub n ALA 23 N -3.93 -0.72 -3.46 8.56 0.00 -1.04 -4.49 120.51 115.44 2yub n ALA 23 Ca 0.07 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 2yub n ALA 23 Cb 0.56 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 2yub n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2yub s THR 24 N -1.53 -0.57 -0.93 0.00 -4.23 -1.11 -4.99 115.64 102.28 2yub s THR 24 Ca 0.17 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 2yub s THR 24 Cb -0.01 -0.73 0.33 0.00 1.34 0.00 0.00 72.50 73.43 2yub s THR 24 CO 0.13 -0.07 1.80 0.41 -0.54 0.00 0.00 174.62 176.35 2yub n THR 25 N 5.36 5.10 0.00 3.99 -1.04 -1.26 -4.43 114.28 122.00 2yub n THR 25 Ca -0.05 -5.47 0.00 0.00 -2.04 0.00 0.00 64.05 56.49 2yub n THR 25 Cb 0.50 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 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 -0.22 0.00 0.04 -2.82 1.02 -1.26 -5.06 120.64 112.34 2yub n GLU 26 Ca 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2yub n GLU 26 Cb 0.27 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 2yub n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yub n ARG 28 N -2.70 0.00 -0.57 0.00 1.85 -1.26 -5.09 116.66 108.88 2yub n ARG 28 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 2yub n ARG 28 Cb 0.00 0.00 0.26 0.00 -1.05 0.00 0.00 32.46 31.67 2yub n ARG 28 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2yub s ARG 29 N -1.47 -1.37 0.00 2.89 3.03 -1.26 -4.93 118.95 115.84 2yub s ARG 29 Ca 0.00 0.60 0.07 0.00 2.03 0.00 0.00 55.73 58.43 2yub s ARG 29 Cb 0.00 -1.52 0.16 0.00 -1.03 0.00 0.00 34.95 32.56 2yub s ARG 29 CO 0.00 -3.96 1.04 0.41 -1.13 0.00 0.00 175.30 171.66 2yub n GLY 30 N 0.73 1.78 3.36 3.88 0.00 -1.26 -5.00 105.19 108.67 2yub n GLY 30 Ca 0.05 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.89 -0.43 0.39 1.61 -0.12 -1.26 -0.43 117.98 116.85 2yub s PHE 31 Ca 0.14 0.88 0.08 0.00 -0.05 0.00 0.00 56.93 57.97 2yub s PHE 31 Cb 0.08 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.65 2yub s PHE 31 CO 0.10 -0.39 0.37 -1.54 -0.05 0.00 0.00 175.22 173.71 2yub s SER 32 N -0.66 5.17 0.05 1.98 1.04 -1.01 -5.01 113.70 115.26 2yub s SER 32 Ca -0.08 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 55.66 2yub s SER 32 Cb -0.03 -0.70 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 2yub s SER 32 CO 0.04 -0.57 0.08 0.68 0.98 0.00 0.00 173.24 174.46 2yub s VAL 33 N -2.41 0.15 -0.18 5.02 -7.23 -1.26 -3.19 120.40 111.29 2yub s VAL 33 Ca 0.46 -1.22 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 2yub s VAL 33 Cb -0.04 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 2yub s VAL 33 CO 0.28 -0.67 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.46 2yub s THR 34 N -2.96 3.52 -0.29 5.32 2.01 0.04 -4.82 115.64 118.47 2yub s THR 34 Ca -0.02 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 2yub s THR 34 Cb 0.01 -2.56 -0.00 0.00 0.01 0.00 0.00 72.50 69.96 2yub s THR 34 CO -0.06 0.46 0.08 -0.69 -0.69 0.00 0.00 174.62 173.72 2yub s VAL 35 N 0.92 4.09 -0.09 3.82 1.01 -1.26 -2.33 120.40 126.56 2yub s VAL 35 Ca -0.01 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 2yub s VAL 35 Cb -0.15 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2yub s VAL 35 CO 0.01 0.14 0.38 -1.61 0.00 0.00 0.00 175.10 174.01 2yub s GLU 36 N 1.54 4.11 -0.34 2.72 0.41 -0.58 -5.00 118.70 121.55 2yub s GLU 36 Ca 0.04 0.29 0.16 0.00 -0.41 0.00 0.00 54.97 55.05 2yub s GLU 36 Cb -0.17 -3.34 0.42 0.00 -1.78 0.00 0.00 34.13 29.26 2yub s GLU 36 CO 0.03 0.41 0.89 0.45 -0.49 0.00 0.00 175.26 176.54 2yub n SER 37 N 2.88 1.37 -0.03 -0.19 2.88 -1.26 -1.14 113.62 118.14 2yub n SER 37 Ca -0.12 -2.84 -0.01 0.00 -1.33 0.00 0.00 58.87 54.57 2yub n SER 37 Cb 0.52 -0.56 -0.01 0.00 -0.75 0.00 0.00 64.21 63.42 2yub n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yub n ALA 38 N 0.03 -0.05 -2.63 -1.46 0.00 -1.26 -4.50 120.51 110.64 2yub n ALA 38 Ca 0.15 0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.40 2yub n ALA 38 Cb 0.76 0.40 -0.02 0.00 0.00 0.00 0.00 19.45 20.59 2yub n ALA 38 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2yub s SER 39 N -3.21 6.36 0.00 0.00 0.01 -1.26 -4.98 113.70 110.62 2yub s SER 39 Ca -0.01 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2yub s SER 39 Cb 0.01 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2yub s SER 39 CO 0.05 -0.22 0.00 -0.24 0.41 0.00 0.00 173.24 173.24 2yub n SER 40 N -1.30 0.00 -2.38 2.44 2.88 -1.26 -3.96 113.62 110.03 2yub n SER 40 Ca -0.04 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.34 2yub n SER 40 Cb 0.55 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.04 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 -3.94 3.61 -4.09 -3.46 4.13 -1.26 -4.93 115.26 105.33 2yub n ASN 41 Ca 0.00 -3.15 -0.32 0.00 1.68 0.00 0.00 54.58 52.79 2yub n ASN 41 Cb 0.00 -0.42 -0.16 0.00 -1.54 0.00 0.00 39.78 37.66 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2yub s TYR 42 N -3.61 2.52 0.22 3.10 1.13 -1.25 -4.00 117.35 115.46 2yub s TYR 42 Ca 0.41 -1.44 -0.19 0.00 -1.41 0.00 0.00 57.07 54.44 2yub s TYR 42 Cb 0.39 -1.77 -0.12 0.00 -1.10 0.00 0.00 41.96 39.35 2yub s TYR 42 CO -0.02 -0.73 0.25 0.00 -2.51 0.00 0.00 175.55 172.55 2yub n ALA 43 N 4.61 -2.50 0.00 9.51 0.00 -1.24 -4.74 120.51 126.15 2yub n ALA 43 Ca -0.19 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2yub n ALA 43 Cb 0.50 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2yub n ALA 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2yub n THR 44 N -0.33 0.00 -3.65 0.00 5.66 -0.29 -4.61 114.28 111.05 2yub n THR 44 Ca 0.11 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.05 2yub n THR 44 Cb 0.24 -0.33 -0.07 0.00 -1.55 0.00 0.00 70.33 68.61 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 -1.38 -0.30 0.06 1.09 2.01 -1.24 -4.98 115.64 110.90 2yub s THR 45 Ca 0.00 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.11 2yub s THR 45 Cb 0.00 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 2yub s THR 45 CO 0.00 0.01 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.07 2yub s VAL 46 N 1.99 2.77 -0.15 3.82 1.01 -1.26 -1.53 120.40 127.05 2yub s VAL 46 Ca -0.08 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.51 2yub s VAL 46 Cb -0.08 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.15 2yub s VAL 46 CO -0.18 0.28 0.37 -1.10 0.00 0.00 0.00 175.10 174.47 2yub s GLN 47 N -1.62 0.40 -0.55 2.72 -0.21 -0.98 -3.78 119.66 115.63 2yub s GLN 47 Ca 0.15 0.61 -0.27 0.00 0.02 0.00 0.00 55.36 55.87 2yub s GLN 47 Cb -0.10 0.09 -0.00 0.00 1.00 0.00 0.00 33.01 33.99 2yub s GLN 47 CO 0.06 -0.10 1.64 0.08 -2.12 0.00 0.00 175.29 174.85 2yub s VAL 48 N 0.73 3.57 0.00 1.09 1.01 -0.84 -0.78 120.40 125.17 2yub s VAL 48 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2yub s VAL 48 Cb -0.05 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2yub s VAL 48 CO -0.05 -0.98 0.86 1.17 0.00 0.00 0.00 175.10 176.10 2yub n LYS 49 N 8.86 0.00 -4.25 2.72 3.00 -1.19 0.14 118.16 127.45 2yub n LYS 49 Ca 0.17 0.43 -0.15 0.00 -0.00 0.00 0.00 58.31 58.75 2yub n LYS 49 Cb 0.50 -1.36 -0.10 0.00 0.00 0.00 0.00 35.03 34.06 2yub n LYS 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2yub s GLU 50 N -2.46 1.05 -0.05 1.64 2.02 -1.26 -4.32 118.70 115.33 2yub s GLU 50 Ca 0.00 -1.39 -0.00 0.00 0.02 0.00 0.00 54.97 53.59 2yub s GLU 50 Cb 0.00 -0.70 0.03 0.00 0.10 0.00 0.00 34.13 33.55 2yub s GLU 50 CO 0.00 0.10 -0.00 0.08 0.02 0.00 0.00 175.26 175.46 2yub s VAL 51 N -3.00 0.30 -0.19 2.63 1.01 -1.26 -2.42 120.40 117.48 2yub s VAL 51 Ca 0.15 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 2yub s VAL 51 Cb 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 2yub s VAL 51 CO 0.01 0.21 0.68 0.21 0.00 0.00 0.00 175.10 176.21 2yub s ASN 52 N 1.46 6.76 0.13 3.32 3.84 0.43 -4.93 114.94 125.94 2yub s ASN 52 Ca -0.03 0.93 0.25 0.00 0.21 0.00 0.00 52.86 54.22 2yub s ASN 52 Cb -0.13 -2.38 0.55 0.00 -0.55 0.00 0.00 41.25 38.74 2yub s ASN 52 CO -0.03 -0.30 1.50 0.54 -2.79 0.00 0.00 177.10 176.02 2yub n ARG 53 N 5.05 0.24 -0.13 0.43 1.74 -1.26 -3.44 116.66 119.29 2yub n ARG 53 Ca 0.00 0.11 0.06 0.00 -0.77 0.00 0.00 57.85 57.25 2yub n ARG 53 Cb 0.49 -1.69 0.20 0.00 -1.02 0.00 0.00 32.46 30.44 2yub n ARG 53 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2yub n MET 54 N -2.06 1.65 0.00 5.56 1.56 -1.26 -1.85 117.12 120.73 2yub n MET 54 Ca 0.04 -1.01 0.00 0.00 -0.27 0.00 0.00 57.70 56.46 2yub n MET 54 Cb 0.42 -1.26 0.00 0.00 2.15 0.00 0.00 33.22 34.53 2yub n MET 54 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 2yub n HIS 55 N 0.29 0.00 0.00 1.12 8.25 -1.22 -4.82 115.22 118.85 2yub n HIS 55 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2yub n HIS 55 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2yub n HIS 55 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2yub n ILE 56 N -0.29 0.00 -0.12 1.59 5.41 -1.23 -4.83 119.36 119.89 2yub n ILE 56 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2yub n ILE 56 Cb 0.05 -0.72 -0.00 0.00 -0.71 0.00 0.00 39.64 38.27 2yub n ILE 56 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2yub n SER 57 N -2.22 -0.62 -4.58 4.38 3.41 -0.77 -4.65 113.62 108.57 2yub n SER 57 Ca 0.00 0.13 -0.28 0.00 -0.26 0.00 0.00 58.87 58.46 2yub n SER 57 Cb 0.48 0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 2yub n SER 57 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2yub s PRO 58 N -3.83 2.50 0.00 4.33 0.04 -1.26 -3.60 135.00 133.18 2yub s PRO 58 Ca 0.00 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 59.96 2yub s PRO 58 Cb 0.00 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2yub s PRO 58 CO 0.00 -3.92 0.00 0.09 0.04 0.00 0.00 177.00 173.21 2yub n ASN 59 N 14.35 0.00 0.00 6.66 3.02 -1.26 -4.94 115.26 133.09 2yub n ASN 59 Ca 0.44 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 2yub n ASN 59 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.09 0.63 0.00 6.41 3.02 -1.24 -4.70 115.26 118.30 2yub n ASN 60 Ca 0.00 -1.06 0.11 0.00 -0.03 0.00 0.00 54.58 53.61 2yub n ASN 60 Cb 0.00 0.00 0.62 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.03 0.47 0.02 3.52 1.85 -1.25 -2.79 116.66 118.45 2yub n ARG 61 Ca 0.00 0.05 -0.11 0.00 -1.00 0.00 0.00 57.85 56.79 2yub n ARG 61 Cb 0.13 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.91 2yub n ARG 61 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 2yub h ASN 62 N 0.00 0.12 0.90 2.89 2.35 -1.91 -3.33 115.58 116.60 2yub h ASN 62 Ca 0.00 -0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.43 2yub h ASN 62 Cb 0.14 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2yub h ASN 62 CO 0.00 1.16 -0.63 0.00 -1.65 0.00 0.00 177.43 176.31 2yub h ALA 63 N 0.82 0.79 -1.74 -0.83 0.00 -1.87 -3.45 119.26 112.97 2yub h ALA 63 Ca -0.20 -0.57 -0.55 0.00 0.00 0.00 0.00 54.91 53.58 2yub h ALA 63 Cb 1.95 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.56 2yub h ALA 63 CO 0.12 0.79 -0.52 -1.50 0.00 0.00 0.00 179.25 178.14 2yub s ILE 64 N -3.30 2.68 -0.28 0.00 2.07 -1.24 -4.86 121.20 116.28 2yub s ILE 64 Ca 0.00 -1.69 -0.35 0.00 -1.41 0.00 0.00 60.65 57.20 2yub s ILE 64 Cb 0.11 -2.97 0.17 0.00 0.13 0.00 0.00 42.46 39.90 2yub s ILE 64 CO 0.75 -0.10 1.37 -1.00 -1.91 0.00 0.00 174.94 174.05 2yub s HIS 65 N -2.50 -0.03 -0.36 3.50 3.76 -1.26 -4.84 115.29 113.56 2yub s HIS 65 Ca 0.40 0.03 -0.28 0.00 -0.15 0.00 0.00 55.06 55.05 2yub s HIS 65 Cb 0.00 0.50 -0.01 0.00 1.11 0.00 0.00 32.58 34.18 2yub s HIS 65 CO 0.23 -0.03 1.71 -1.25 -0.85 0.00 0.00 174.74 174.55 2yub s PRO 66 N -1.70 3.36 0.00 8.40 0.04 -1.26 -2.68 135.00 141.16 2yub s PRO 66 Ca 0.11 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2yub s PRO 66 Cb -0.01 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2yub s PRO 66 CO -0.04 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.57 2yub n GLY 67 N 5.36 1.41 3.76 0.56 0.00 0.38 -4.96 105.19 111.70 2yub n GLY 67 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2yub n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yub s ASP 68 N -1.15 5.60 -0.22 1.61 1.01 -1.09 -4.56 116.67 117.87 2yub s ASP 68 Ca 0.00 2.56 -0.17 0.00 0.71 0.00 0.00 52.55 55.65 2yub s ASP 68 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2yub s ASP 68 CO 0.00 -1.33 0.46 -0.60 0.21 0.00 0.00 175.17 173.91 2yub s ARG 69 N -2.87 4.14 0.12 8.23 3.52 -1.26 -1.99 118.95 128.84 2yub s ARG 69 Ca 0.69 0.28 -0.28 0.00 -0.13 0.00 0.00 55.73 56.29 2yub s ARG 69 Cb -0.35 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.40 2yub s ARG 69 CO 0.41 -0.16 0.90 0.42 -0.81 0.00 0.00 175.30 176.06 2yub s ILE 70 N 1.68 4.49 -0.23 4.11 1.01 -1.25 -3.49 121.20 127.52 2yub s ILE 70 Ca 0.21 1.94 -0.08 0.00 0.00 0.00 0.00 60.65 62.72 2yub s ILE 70 Cb -0.15 -4.26 -0.18 0.00 0.01 0.00 0.00 42.46 37.88 2yub s ILE 70 CO 0.09 0.37 -0.07 0.18 0.00 0.00 0.00 174.94 175.51 2yub n LEU 71 N 2.52 2.47 -3.66 2.97 4.77 -0.08 -4.74 117.00 121.25 2yub n LEU 71 Ca -0.00 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 2yub n LEU 71 Cb 0.49 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2yub n LEU 71 CO 0.50 0.73 0.17 -1.61 -1.33 0.00 0.00 177.39 175.84 2yub s GLU 72 N -2.50 0.92 -0.24 3.23 2.02 -1.25 -3.32 118.70 117.57 2yub s GLU 72 Ca -0.32 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 54.36 2yub s GLU 72 Cb 0.10 0.41 0.06 0.00 0.10 0.00 0.00 34.13 34.80 2yub s GLU 72 CO 0.61 -0.31 -0.08 0.42 0.02 0.00 0.00 175.26 175.91 2yub s ILE 73 N -2.36 1.76 0.00 -1.63 1.01 -1.20 -1.22 121.20 117.56 2yub s ILE 73 Ca -0.06 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.26 2yub s ILE 73 Cb -0.01 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.51 2yub s ILE 73 CO -0.02 -0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.48 2yub n ASN 74 N 4.59 0.00 0.00 3.58 3.02 0.10 -3.45 115.26 123.11 2yub n ASN 74 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2yub n ASN 74 Cb 0.44 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.00 0.85 2.93 7.41 0.00 -1.26 -4.92 105.19 108.19 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 -1.02 0.05 -0.25 2.61 -4.23 -1.22 -5.12 115.64 106.46 2yub s THR 76 Ca 0.00 -0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 59.78 2yub s THR 76 Cb 0.00 -0.13 -0.02 0.00 1.34 0.00 0.00 72.50 73.68 2yub s THR 76 CO 0.00 -0.24 1.63 -2.16 -0.54 0.00 0.00 174.62 173.30 2yub s PRO 77 N -0.71 3.72 0.04 3.99 0.04 -1.26 -3.24 135.00 137.58 2yub s PRO 77 Ca -0.08 1.59 0.27 0.00 0.04 0.00 0.00 61.00 62.82 2yub s PRO 77 Cb -0.05 -4.06 0.86 0.00 0.04 0.00 0.00 34.50 31.29 2yub s PRO 77 CO -0.00 -1.38 1.68 1.33 0.04 0.00 0.00 177.00 178.66 2yub n VAL 78 N 6.58 0.10 0.77 -0.36 0.24 -1.21 -1.11 118.33 123.34 2yub n VAL 78 Ca 0.19 -0.06 0.13 0.00 -2.04 0.00 0.00 64.34 62.56 2yub n VAL 78 Cb 0.46 -0.22 0.37 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.65 0.16 0.00 7.34 0.00 -1.26 -4.26 116.66 116.99 2yub n ARG 79 Ca 0.06 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2yub n ARG 79 Cb 0.36 -1.64 0.00 0.00 -0.00 0.00 0.00 32.46 31.18 2yub n ARG 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2yub n THR 80 N -1.89 0.00 -1.02 8.89 -2.24 -1.21 -4.77 114.28 112.04 2yub n THR 80 Ca 0.05 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 2yub n THR 80 Cb 0.39 -0.47 0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.38 -3.64 -4.82 3.22 4.77 -0.27 -4.71 117.00 109.17 2yub n LEU 81 Ca 0.00 0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 55.97 2yub n LEU 81 Cb 0.45 -0.92 -0.07 0.00 -2.33 0.00 0.00 43.42 40.55 2yub n LEU 81 CO 0.00 -5.01 0.65 -0.13 -1.33 0.00 0.00 177.39 171.57 2yub s ARG 82 N -2.32 4.23 0.34 3.23 1.81 -1.26 -3.61 118.95 121.37 2yub s ARG 82 Ca 0.49 1.12 0.13 0.00 -1.72 0.00 0.00 55.73 55.76 2yub s ARG 82 Cb -0.25 -2.18 1.05 0.00 -0.45 0.00 0.00 34.95 33.12 2yub s ARG 82 CO 0.74 -0.03 1.68 0.28 -0.68 0.00 0.00 175.30 177.29 2yub h VAL 83 N 1.91 0.35 -0.28 3.52 2.07 -1.92 0.41 116.25 122.31 2yub h VAL 83 Ca -0.49 -0.13 -0.18 0.00 0.82 0.00 0.00 66.70 66.72 2yub h VAL 83 Cb 1.18 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2yub h VAL 83 CO 0.61 0.07 -0.52 1.05 0.02 0.00 0.00 177.57 178.80 2yub h GLU 84 N 0.38 0.85 0.00 1.57 4.11 -1.92 -2.56 114.58 117.02 2yub h GLU 84 Ca 0.72 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2yub h GLU 84 Cb 1.58 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2yub h GLU 84 CO -0.58 1.17 0.00 0.93 0.07 0.00 0.00 179.01 180.61 2yub h GLU 85 N 0.63 0.00 0.09 1.06 3.07 -0.60 0.20 114.58 119.03 2yub h GLU 85 Ca 0.01 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.54 2yub h GLU 85 Cb 1.13 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.02 2yub h GLU 85 CO 0.12 0.00 -1.85 0.28 -1.40 0.00 0.00 179.01 176.15 2yub h VAL 86 N 0.00 0.75 0.05 3.13 2.07 -1.01 -3.32 116.25 117.92 2yub h VAL 86 Ca 0.00 -2.50 -0.08 0.00 0.82 0.00 0.00 66.70 64.94 2yub h VAL 86 Cb 0.16 2.51 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2yub h VAL 86 CO 0.00 0.76 -0.33 -0.33 0.02 0.00 0.00 177.57 177.70 2yub h GLU 87 N 0.05 0.13 -0.95 1.57 4.39 -1.00 -3.30 114.58 115.47 2yub h GLU 87 Ca -0.36 -0.21 0.23 0.00 0.34 0.00 0.00 59.36 59.36 2yub h GLU 87 Cb 2.03 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 30.69 2yub h GLU 87 CO 0.10 1.07 0.63 -0.44 -1.16 0.00 0.00 179.01 179.21 2yub h ASP 88 N -0.70 0.38 0.35 1.42 3.32 -0.83 0.58 116.42 120.94 2yub h ASP 88 Ca -0.06 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2yub h ASP 88 Cb 1.23 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2yub h ASP 88 CO 0.06 0.13 -0.17 0.00 -1.72 0.00 0.00 179.24 177.54 2yub h ALA 89 N 1.60 1.37 0.00 3.45 0.00 -1.66 -0.29 119.26 123.73 2yub h ALA 89 Ca 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2yub h ALA 89 Cb 1.32 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2yub h ALA 89 CO -0.19 0.21 -0.40 0.82 0.00 0.00 0.00 179.25 179.69 2yub h ILE 90 N 0.00 0.14 -0.83 0.00 1.08 0.00 -3.37 117.51 114.53 2yub h ILE 90 Ca -0.00 -1.14 0.13 0.00 -0.39 0.00 0.00 64.86 63.45 2yub h ILE 90 Cb 0.39 0.30 -0.06 0.00 -3.07 0.00 0.00 36.82 34.38 2yub h ILE 90 CO 0.02 0.05 0.54 0.07 -0.69 0.00 0.00 178.15 178.14 2yub h LYS 91 N -1.00 0.63 -6.34 2.37 2.10 -1.27 -3.41 116.57 109.65 2yub h LYS 91 Ca -0.03 -0.04 -0.55 0.00 -2.00 0.00 0.00 60.65 58.04 2yub h LYS 91 Cb 0.44 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2yub h LYS 91 CO -0.02 0.42 0.89 1.14 -2.00 0.00 0.00 179.45 179.88 2yub s GLN 92 N -5.62 4.26 -0.41 0.07 1.03 -0.12 -4.63 119.66 114.24 2yub s GLN 92 Ca -0.09 2.00 0.11 0.00 0.04 0.00 0.00 55.36 57.41 2yub s GLN 92 Cb 0.21 -3.65 0.36 0.00 0.03 0.00 0.00 33.01 29.97 2yub s GLN 92 CO 0.78 -0.64 0.82 0.25 -2.54 0.00 0.00 175.29 173.96 2yub n THR 93 N 4.84 0.77 -0.09 3.63 -2.24 -1.26 -4.85 114.28 115.08 2yub n THR 93 Ca 0.14 -4.63 -0.11 0.00 -2.27 0.00 0.00 64.05 57.18 2yub n THR 93 Cb 0.43 -0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.10 2.32 -3.66 3.42 3.41 -1.26 -2.75 113.62 115.19 2yub n SER 94 Ca 0.25 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.58 2yub n SER 94 Cb 0.62 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yub n GLN 95 N -2.90 1.22 -1.83 4.33 6.02 -1.26 -4.64 117.38 118.31 2yub n GLN 95 Ca -0.30 -2.32 -0.42 0.00 -0.01 0.00 0.00 57.00 53.95 2yub n GLN 95 Cb 0.87 0.63 -0.03 0.00 1.02 0.00 0.00 30.24 32.73 2yub n GLN 95 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2yub s THR 96 N -2.16 2.66 -0.41 5.09 2.01 -1.26 -2.49 115.64 119.08 2yub s THR 96 Ca 0.00 0.27 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 2yub s THR 96 Cb 0.00 -3.18 0.05 0.00 0.01 0.00 0.00 72.50 69.38 2yub s THR 96 CO 0.00 0.01 0.28 -0.22 -0.69 0.00 0.00 174.62 174.00 2yub s LEU 97 N 2.19 5.09 0.06 4.42 2.96 0.72 -4.88 118.68 129.25 2yub s LEU 97 Ca 0.76 -1.15 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2yub s LEU 97 Cb -0.44 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 2yub s LEU 97 CO 0.33 -0.49 0.33 -1.10 -1.32 0.00 0.00 176.35 174.11 2yub s GLN 98 N 1.57 3.65 -0.04 1.98 -0.21 -1.26 -3.52 119.66 121.83 2yub s GLN 98 Ca 0.03 -0.00 0.01 0.00 0.02 0.00 0.00 55.36 55.42 2yub s GLN 98 Cb -0.21 -3.01 0.02 0.00 1.00 0.00 0.00 33.01 30.81 2yub s GLN 98 CO 0.06 0.58 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.27 2yub s LEU 99 N -2.00 1.34 -0.35 2.90 1.43 -0.96 -0.72 118.68 120.32 2yub s LEU 99 Ca 0.32 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 2yub s LEU 99 Cb -0.13 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.68 2yub s LEU 99 CO 0.19 -0.05 0.17 -0.22 0.23 0.00 0.00 176.35 176.67 2yub s LEU 100 N 0.89 4.50 0.10 1.79 2.96 -0.36 -2.44 118.68 126.12 2yub s LEU 100 Ca -0.12 -0.91 0.01 0.00 -0.22 0.00 0.00 54.13 52.90 2yub s LEU 100 Cb -0.14 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2yub s LEU 100 CO 0.00 -0.33 0.24 -0.63 -1.32 0.00 0.00 176.35 174.31 2yub s ILE 101 N 1.54 5.34 0.06 6.68 -1.09 -0.40 -0.91 121.20 132.42 2yub s ILE 101 Ca 0.02 -0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 57.88 2yub s ILE 101 Cb -0.19 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2yub s ILE 101 CO 0.06 0.03 0.25 -0.70 -1.23 0.00 0.00 174.94 173.35 2yub s GLU 102 N -2.84 3.50 -0.27 2.79 2.12 -1.23 -2.53 118.70 120.23 2yub s GLU 102 Ca 0.35 -0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.38 2yub s GLU 102 Cb -0.12 -3.02 0.08 0.00 0.26 0.00 0.00 34.13 31.33 2yub s GLU 102 CO 0.28 0.60 0.03 -1.01 -0.54 0.00 0.00 175.26 174.62 2yub s HIS 103 N -1.48 2.08 -0.70 5.30 3.76 -1.10 -4.88 115.29 118.28 2yub s HIS 103 Ca 0.34 -1.76 0.04 0.00 -0.15 0.00 0.00 55.06 53.53 2yub s HIS 103 Cb -0.13 -1.72 0.27 0.00 1.11 0.00 0.00 32.58 32.12 2yub s HIS 103 CO 0.24 -0.81 0.89 -0.40 -0.85 0.00 0.00 174.74 173.81 2yub n ASP 104 N 4.75 4.29 0.00 1.40 5.68 -1.26 -3.28 116.55 128.13 2yub n ASP 104 Ca -0.06 -3.48 -0.07 0.00 -0.50 0.00 0.00 54.79 50.68 2yub n ASP 104 Cb 0.44 -0.74 0.11 0.00 -1.14 0.00 0.00 41.12 39.78 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 4.18 0.53 -4.12 0.11 0.13 -1.96 -3.46 132.00 127.41 2yub h PRO 105 Ca 0.20 -0.28 -0.44 0.00 -0.87 0.00 0.00 66.00 64.60 2yub h PRO 105 Cb 0.63 0.01 0.09 0.00 0.13 0.00 0.00 31.00 31.86 2yub h PRO 105 CO 0.91 0.86 -0.51 1.55 -0.23 0.00 0.00 178.00 180.59 2yub n VAL 106 N -4.02 0.91 -2.21 1.56 3.14 -1.26 -4.80 118.33 111.65 2yub n VAL 106 Ca -0.02 -0.34 -0.42 0.00 -2.96 0.00 0.00 64.34 60.60 2yub n VAL 106 Cb 0.53 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.28 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 4.36 -0.21 1.45 0.04 -1.26 -5.02 135.00 133.67 2yub s PRO 107 Ca 0.42 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.52 2yub s PRO 107 Cb -0.54 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 30.80 2yub s PRO 107 CO 0.41 -0.34 -0.16 -0.65 0.04 0.00 0.00 177.00 176.30 2yub s GLN 108 N 0.59 2.64 0.13 4.56 -0.21 -1.26 -5.11 119.66 121.00 2yub s GLN 108 Ca 0.61 -1.02 0.09 0.00 0.02 0.00 0.00 55.36 55.06 2yub s GLN 108 Cb -0.36 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 2yub s GLN 108 CO 0.33 -0.36 -0.22 -0.98 -2.12 0.00 0.00 175.29 171.95 2yub s ARG 109 N 1.23 1.26 -0.43 2.91 1.70 -1.26 -5.11 118.95 119.26 2yub s ARG 109 Ca -0.01 -1.31 0.07 0.00 -0.47 0.00 0.00 55.73 54.02 2yub s ARG 109 Cb -0.16 -1.53 0.18 0.00 -0.57 0.00 0.00 34.95 32.87 2yub s ARG 109 CO -0.10 0.34 0.61 -1.17 -1.08 0.00 0.00 175.30 173.91 2yub s LEU 110 N -2.22 -1.24 -0.81 -1.89 2.96 -1.26 -5.10 118.68 109.11 2yub s LEU 110 Ca 0.12 -1.19 -0.25 0.00 -0.22 0.00 0.00 54.13 52.59 2yub s LEU 110 Cb -0.09 1.70 0.02 0.00 0.50 0.00 0.00 46.19 48.32 2yub s LEU 110 CO 0.06 -0.15 1.53 1.51 -1.32 0.00 0.00 176.35 177.98 2yub s ASP 111 N 1.50 5.94 0.00 3.68 1.47 -1.26 -4.18 116.67 123.82 2yub s ASP 111 Ca 0.20 -0.60 0.00 0.00 1.18 0.00 0.00 52.55 53.33 2yub s ASP 111 Cb -0.04 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.98 2yub s ASP 111 CO -0.06 -1.98 0.00 1.67 0.68 0.00 0.00 175.17 175.48 2yub n GLN 112 N 9.14 0.00 0.02 2.11 0.00 -1.26 -5.02 117.38 122.37 2yub n GLN 112 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.20 2yub n GLN 112 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 2yub n GLN 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2yub n SER 113 N -1.21 0.12 0.00 1.69 2.88 -1.26 -5.17 113.62 110.67 2yub n SER 113 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2yub n SER 113 Cb 0.00 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 2.55 3.03 3.67 0.46 0.00 -1.26 -5.09 105.19 108.54 2yub n GLY 114 Ca 0.00 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 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 -4.01 0.32 0.34 1.61 0.04 -1.26 -4.95 135.00 127.09 2yub s PRO 115 Ca 0.00 0.49 0.12 0.00 0.04 0.00 0.00 61.00 61.64 2yub s PRO 115 Cb 0.00 -1.73 0.61 0.00 0.04 0.00 0.00 34.50 33.42 2yub s PRO 115 CO 0.00 -2.80 1.76 0.66 0.04 0.00 0.00 177.00 176.67 2yub h SER 116 N -1.94 0.02 -4.09 6.66 4.64 -2.05 -3.37 113.55 113.43 2yub h SER 116 Ca -0.55 -0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.11 2yub h SER 116 Cb 1.33 -0.01 -0.40 0.00 -0.31 0.00 0.00 62.40 63.01 2yub h SER 116 CO 0.58 0.46 -0.65 -0.44 -0.87 0.00 0.00 176.83 175.90 2yub s SER 117 N -6.91 4.54 0.00 4.97 0.01 -1.26 -5.34 113.70 109.71 2yub s SER 117 Ca -0.03 -2.66 0.00 0.00 1.31 0.00 0.00 55.95 54.57 2yub s SER 117 Cb 0.14 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.72 2yub s SER 117 CO 0.74 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.70