#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 5.33 -0.17 1.61 7.64 -1.26 -4.82 113.62 121.95 2yub n SER 2 Ca 0.00 -3.00 -0.10 0.00 1.01 0.00 0.00 58.87 56.78 2yub n SER 2 Cb 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 2yub n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2yub h SER 3 N 6.96 0.87 -4.12 6.43 0.87 -2.13 -3.44 113.55 118.99 2yub h SER 3 Ca 0.27 -0.32 -0.54 0.00 -1.23 0.00 0.00 61.79 59.98 2yub h SER 3 Cb 0.87 -0.24 0.13 0.00 -0.44 0.00 0.00 62.40 62.73 2yub h SER 3 CO 1.17 0.98 0.47 -0.83 -0.53 0.00 0.00 176.83 178.09 2yub s GLY 4 N -3.47 2.68 0.13 5.77 0.00 -1.26 -4.99 107.32 106.18 2yub s GLY 4 Ca -0.12 1.03 -0.21 0.00 0.00 0.00 0.00 44.72 45.41 2yub s GLY 4 CO 0.83 1.43 0.67 -0.56 0.00 0.00 0.00 173.10 175.47 2yub s SER 5 N -1.66 7.18 0.04 1.64 0.01 -1.26 -5.00 113.70 114.65 2yub s SER 5 Ca 0.78 1.42 -0.26 0.00 1.31 0.00 0.00 55.95 59.20 2yub s SER 5 Cb -0.32 -2.42 -0.17 0.00 0.21 0.00 0.00 66.02 63.32 2yub s SER 5 CO 0.38 0.21 1.44 -1.28 0.41 0.00 0.00 173.24 174.40 2yub h SER 6 N 4.28 -0.32 0.00 2.44 0.87 -1.95 -3.47 113.55 115.40 2yub h SER 6 Ca -0.48 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 59.95 2yub h SER 6 Cb 1.21 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2yub h SER 6 CO 0.65 -0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.50 2yub n GLY 7 N -0.68 3.11 1.41 5.77 0.00 -1.26 -3.43 105.19 110.12 2yub n GLY 7 Ca -0.10 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.75 2yub n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yub n VAL 8 N 0.00 0.12 -3.31 1.61 0.24 -1.26 -5.05 118.33 110.68 2yub n VAL 8 Ca 0.00 -1.08 -0.43 0.00 -2.04 0.00 0.00 64.34 60.78 2yub n VAL 8 Cb 0.00 0.91 -0.08 0.00 -1.47 0.00 0.00 33.84 33.20 2yub n VAL 8 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2yub s GLN 9 N -0.17 3.06 0.00 7.34 -1.52 -1.22 -4.99 119.66 122.16 2yub s GLN 9 Ca 0.33 -0.93 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 2yub s GLN 9 Cb 0.37 -4.03 0.00 0.00 -0.22 0.00 0.00 33.01 29.13 2yub s GLN 9 CO -0.16 -0.96 0.00 -0.25 -0.25 0.00 0.00 175.29 173.67 2yub n ASP 10 N 5.60 0.00 -2.52 5.90 8.00 -1.26 -5.01 116.55 127.26 2yub n ASP 10 Ca -0.08 -0.71 -0.15 0.00 0.71 0.00 0.00 54.79 54.55 2yub n ASP 10 Cb 0.46 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.61 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 0.00 -5.10 -1.73 -1.24 6.02 -1.26 -5.00 117.38 109.08 2yub n GLN 11 Ca 0.00 0.54 -0.32 0.00 -0.01 0.00 0.00 57.00 57.20 2yub n GLN 11 Cb 0.00 -4.70 0.05 0.00 1.02 0.00 0.00 30.24 26.61 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 -5.07 3.34 1.19 1.08 0.05 -1.26 -5.04 118.68 112.97 2yub s LEU 12 Ca 0.34 1.90 -0.19 0.00 0.05 0.00 0.00 54.13 56.23 2yub s LEU 12 Cb -0.15 -4.54 0.28 0.00 -2.05 0.00 0.00 46.19 39.73 2yub s LEU 12 CO 0.47 -1.57 1.11 -2.16 -0.55 0.00 0.00 176.35 173.65 2yub s PRO 13 N -4.30 -1.15 0.37 1.48 0.04 -1.26 -4.88 135.00 125.30 2yub s PRO 13 Ca 0.65 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2yub s PRO 13 Cb -0.18 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2yub s PRO 13 CO 0.44 -3.67 0.00 0.98 0.04 0.00 0.00 177.00 174.79 2yub n TYR 14 N -4.73 -4.43 -4.26 0.56 9.36 -1.26 -5.04 117.16 107.35 2yub n TYR 14 Ca 0.13 2.31 -0.20 0.00 3.32 0.00 0.00 57.90 63.46 2yub n TYR 14 Cb 0.59 -3.51 -0.12 0.00 -0.63 0.00 0.00 39.34 35.67 2yub n TYR 14 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2yub s SER 15 N -2.05 2.20 0.24 2.98 0.01 -0.68 -5.06 113.70 111.34 2yub s SER 15 Ca 0.00 -0.77 0.08 0.00 1.31 0.00 0.00 55.95 56.57 2yub s SER 15 Cb 0.00 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 2yub s SER 15 CO 0.00 -0.07 -0.11 -0.69 0.41 0.00 0.00 173.24 172.77 2yub s VAL 16 N -1.81 1.76 -0.12 3.43 1.01 -1.26 -1.72 120.40 121.69 2yub s VAL 16 Ca 0.08 -2.19 -0.06 0.00 0.00 0.00 0.00 61.98 59.81 2yub s VAL 16 Cb -0.07 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 34.13 2yub s VAL 16 CO 0.04 -0.46 0.29 -0.89 0.00 0.00 0.00 175.10 174.08 2yub s THR 17 N -2.95 -0.04 0.04 3.92 2.01 -1.12 -4.91 115.64 112.59 2yub s THR 17 Ca 0.26 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.46 2yub s THR 17 Cb 0.01 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2yub s THR 17 CO 0.10 0.05 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.67 2yub s LEU 18 N 1.30 2.15 0.01 4.42 1.98 -1.26 -1.06 118.68 126.22 2yub s LEU 18 Ca -0.09 -0.49 0.02 0.00 -2.89 0.00 0.00 54.13 50.67 2yub s LEU 18 Cb -0.10 -0.92 -0.01 0.00 0.66 0.00 0.00 46.19 45.82 2yub s LEU 18 CO -0.10 0.15 -0.05 0.27 -1.89 0.00 0.00 176.35 174.73 2yub s ILE 19 N -0.76 0.39 -0.32 6.68 -0.00 -0.88 -5.01 121.20 121.30 2yub s ILE 19 Ca 0.07 -0.45 -0.02 0.00 -0.00 0.00 0.00 60.65 60.25 2yub s ILE 19 Cb -0.08 -0.38 0.11 0.00 -0.00 0.00 0.00 42.46 42.11 2yub s ILE 19 CO 0.01 -0.05 0.15 -0.55 -0.00 0.00 0.00 174.94 174.51 2yub s SER 20 N -0.53 3.48 0.03 4.36 0.15 -1.26 -2.40 113.70 117.52 2yub s SER 20 Ca -0.02 -1.68 0.08 0.00 0.70 0.00 0.00 55.95 55.03 2yub s SER 20 Cb -0.04 -0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 63.74 2yub s SER 20 CO -0.00 -0.39 -0.23 -0.04 1.20 0.00 0.00 173.24 173.78 2yub s MET 21 N 1.62 1.97 1.03 5.44 1.00 -1.23 -4.96 119.30 124.17 2yub s MET 21 Ca 0.12 -1.02 -0.13 0.00 0.00 0.00 0.00 55.69 54.66 2yub s MET 21 Cb -0.19 -2.08 0.20 0.00 0.00 0.00 0.00 34.83 32.76 2yub s MET 21 CO -0.22 0.53 1.09 -1.25 0.00 0.00 0.00 175.02 175.18 2yub s PRO 22 N -1.20 0.21 0.00 2.03 0.04 -1.26 -0.55 135.00 134.27 2yub s PRO 22 Ca 0.12 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2yub s PRO 22 Cb -0.10 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2yub s PRO 22 CO 0.03 -2.87 0.00 0.00 0.04 0.00 0.00 177.00 174.20 2yub n ALA 23 N -4.26 0.00 -3.53 8.56 0.00 -0.69 -4.69 120.51 115.90 2yub n ALA 23 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 2yub n ALA 23 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.46 -0.01 0.86 0.00 -4.23 -1.22 -4.99 115.64 105.58 2yub s THR 24 Ca 0.00 0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.42 2yub s THR 24 Cb 0.00 -0.67 0.11 0.00 1.34 0.00 0.00 72.50 73.29 2yub s THR 24 CO 0.00 0.02 1.19 0.42 -0.54 0.00 0.00 174.62 175.71 2yub s THR 25 N 0.86 1.99 -2.02 3.99 -4.23 -1.26 -3.89 115.64 111.08 2yub s THR 25 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2yub s THR 25 Cb -0.06 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2yub s THR 25 CO -0.07 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.39 2yub n GLU 26 N -3.51 -1.49 0.00 3.99 1.02 -1.26 -4.71 120.64 114.69 2yub n GLU 26 Ca 0.09 1.12 0.00 0.00 -0.02 0.00 0.00 57.16 58.35 2yub n GLU 26 Cb 0.60 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.48 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 -1.18 -1.54 -0.04 0.00 0.63 -1.26 -4.98 116.66 108.29 2yub n ARG 28 Ca 0.00 1.46 -0.18 0.00 -0.92 0.00 0.00 57.85 58.21 2yub n ARG 28 Cb 0.00 -1.35 -0.14 0.00 0.45 0.00 0.00 32.46 31.42 2yub n ARG 28 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2yub n ARG 29 N 0.53 0.71 0.00 -0.14 3.00 -1.26 -4.90 116.66 114.59 2yub n ARG 29 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 2yub n ARG 29 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 30.80 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 1.97 3.00 3.29 5.14 0.00 -1.26 -4.83 105.19 112.51 2yub n GLY 30 Ca -0.33 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.97 2.00 0.21 1.61 -0.12 -1.26 -2.70 117.98 116.75 2yub s PHE 31 Ca 0.00 -0.39 0.05 0.00 -0.05 0.00 0.00 56.93 56.54 2yub s PHE 31 Cb 0.00 -1.19 -0.05 0.00 -0.63 0.00 0.00 43.02 41.15 2yub s PHE 31 CO 0.00 0.12 -0.07 -1.54 -0.05 0.00 0.00 175.22 173.68 2yub s SER 32 N -1.27 2.07 0.36 1.98 1.04 -0.76 -4.99 113.70 112.13 2yub s SER 32 Ca 0.09 -1.12 0.06 0.00 0.48 0.00 0.00 55.95 55.47 2yub s SER 32 Cb -0.09 -0.05 -0.07 0.00 0.10 0.00 0.00 66.02 65.91 2yub s SER 32 CO 0.02 -0.37 0.01 0.68 0.98 0.00 0.00 173.24 174.56 2yub s VAL 33 N -3.26 1.67 -0.11 5.02 -7.23 -1.26 -1.24 120.40 113.98 2yub s VAL 33 Ca 0.24 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 2yub s VAL 33 Cb 0.03 -2.83 0.02 0.00 0.56 0.00 0.00 36.38 34.16 2yub s VAL 33 CO 0.06 -0.05 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.76 2yub s THR 34 N -2.96 1.50 -0.16 5.32 2.01 0.24 -4.77 115.64 116.82 2yub s THR 34 Ca 0.35 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 2yub s THR 34 Cb 0.08 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 2yub s THR 34 CO 0.16 0.44 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.80 2yub s VAL 35 N 1.03 3.77 -0.24 3.82 1.01 -1.26 -2.49 120.40 126.04 2yub s VAL 35 Ca -0.06 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2yub s VAL 35 Cb -0.15 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.63 2yub s VAL 35 CO -0.02 0.49 -0.13 -1.61 0.00 0.00 0.00 175.10 173.83 2yub s GLU 36 N 0.47 2.53 0.45 2.72 2.02 -1.14 -5.04 118.70 120.71 2yub s GLU 36 Ca -0.04 -1.16 -0.20 0.00 0.02 0.00 0.00 54.97 53.59 2yub s GLU 36 Cb -0.14 -2.82 -0.10 0.00 0.10 0.00 0.00 34.13 31.17 2yub s GLU 36 CO 0.03 -0.45 0.97 -1.54 0.02 0.00 0.00 175.26 174.29 2yub s SER 37 N 1.18 6.79 -0.06 -0.19 1.04 -1.26 -3.87 113.70 117.34 2yub s SER 37 Ca -0.04 1.73 -0.15 0.00 0.48 0.00 0.00 55.95 57.97 2yub s SER 37 Cb -0.18 -2.54 -0.30 0.00 0.10 0.00 0.00 66.02 63.10 2yub s SER 37 CO -0.07 -0.46 0.70 0.00 0.98 0.00 0.00 173.24 174.39 2yub h ALA 38 N 1.75 0.08 0.00 5.32 0.00 -1.95 -3.48 119.26 120.99 2yub h ALA 38 Ca -0.49 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.40 2yub h ALA 38 Cb 1.19 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2yub h ALA 38 CO 0.61 0.82 0.00 -1.13 0.00 0.00 0.00 179.25 179.54 2yub n SER 39 N -3.80 0.00 -1.80 0.00 3.41 -1.26 -4.97 113.62 105.20 2yub n SER 39 Ca -0.22 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.23 2yub n SER 39 Cb 0.98 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 65.02 2yub n SER 39 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yub n SER 40 N 0.00 4.51 -3.44 4.04 7.64 -1.26 -4.85 113.62 120.26 2yub n SER 40 Ca 0.00 -3.02 -0.22 0.00 1.01 0.00 0.00 58.87 56.64 2yub n SER 40 Cb 0.00 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 62.35 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 -0.27 -1.35 -4.22 6.43 3.02 -1.26 -4.87 115.26 112.73 2yub n ASN 41 Ca 0.35 -0.43 -0.33 0.00 -0.03 0.00 0.00 54.58 54.15 2yub n ASN 41 Cb 0.99 -1.24 -0.16 0.00 -0.61 0.00 0.00 39.78 38.77 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 -2.54 2.74 0.30 3.10 1.13 -1.26 -4.46 117.35 116.37 2yub s TYR 42 Ca 0.43 -1.20 -0.27 0.00 -1.41 0.00 0.00 57.07 54.62 2yub s TYR 42 Cb -0.25 -1.87 -0.14 0.00 -1.10 0.00 0.00 41.96 38.60 2yub s TYR 42 CO 0.53 -0.55 0.92 0.00 -2.51 0.00 0.00 175.55 173.93 2yub n ALA 43 N 4.12 -0.58 0.00 9.51 0.00 -1.25 -4.19 120.51 128.12 2yub n ALA 43 Ca -0.20 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2yub n ALA 43 Cb 0.51 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 0.03 0.00 -4.91 0.00 5.66 -1.26 -4.44 114.28 109.36 2yub n THR 44 Ca 0.11 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.84 2yub n THR 44 Cb 0.33 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.95 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 -1.00 1.55 -0.01 1.09 2.01 -1.25 -4.71 115.64 113.31 2yub s THR 45 Ca 0.00 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2yub s THR 45 Cb 0.00 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.22 2yub s THR 45 CO 0.00 0.40 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.61 2yub s VAL 46 N -0.50 0.34 -0.06 3.82 1.01 -1.26 -2.90 120.40 120.85 2yub s VAL 46 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2yub s VAL 46 Cb -0.08 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.00 2yub s VAL 46 CO -0.00 0.12 0.16 -1.10 0.00 0.00 0.00 175.10 174.27 2yub s GLN 47 N 0.22 0.16 -0.32 2.72 -0.21 -1.04 -3.27 119.66 117.91 2yub s GLN 47 Ca -0.02 0.26 -0.29 0.00 0.02 0.00 0.00 55.36 55.33 2yub s GLN 47 Cb -0.05 0.02 -0.01 0.00 1.00 0.00 0.00 33.01 33.96 2yub s GLN 47 CO -0.00 -0.06 1.54 0.08 -2.12 0.00 0.00 175.29 174.72 2yub s VAL 48 N 0.38 3.79 -0.00 1.09 1.01 -0.92 -0.60 120.40 125.15 2yub s VAL 48 Ca -0.03 0.84 -0.15 0.00 0.00 0.00 0.00 61.98 62.65 2yub s VAL 48 Cb -0.04 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 2yub s VAL 48 CO -0.02 -0.50 0.80 0.50 0.00 0.00 0.00 175.10 175.88 2yub h LYS 49 N 10.97 -0.50 -3.76 2.72 3.64 -1.47 -3.23 116.57 124.93 2yub h LYS 49 Ca -0.30 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 2yub h LYS 49 Cb 1.13 0.11 -0.21 0.00 -0.41 0.00 0.00 32.23 32.85 2yub h LYS 49 CO 1.04 -0.34 -0.61 -1.21 -2.27 0.00 0.00 179.45 176.06 2yub s GLU 50 N -3.46 0.36 -0.03 1.90 2.02 -1.23 -4.80 118.70 113.45 2yub s GLU 50 Ca -0.08 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.50 2yub s GLU 50 Cb 0.01 0.14 -0.00 0.00 0.10 0.00 0.00 34.13 34.37 2yub s GLU 50 CO 0.23 -0.07 -0.15 0.08 0.02 0.00 0.00 175.26 175.37 2yub s VAL 51 N -1.28 1.25 -0.20 2.63 1.01 -1.26 -1.83 120.40 120.71 2yub s VAL 51 Ca -0.14 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2yub s VAL 51 Cb -0.08 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2yub s VAL 51 CO 0.00 0.36 -0.04 0.21 0.00 0.00 0.00 175.10 175.64 2yub s ASN 52 N -0.05 4.46 0.00 3.32 2.47 -1.10 -4.93 114.94 119.11 2yub s ASN 52 Ca -0.01 -0.31 0.28 0.00 0.42 0.00 0.00 52.86 53.24 2yub s ASN 52 Cb -0.09 -1.75 1.14 0.00 -1.45 0.00 0.00 41.25 39.09 2yub s ASN 52 CO 0.01 0.03 1.80 0.54 -3.72 0.00 0.00 177.10 175.76 2yub n ARG 53 N 4.43 0.94 0.23 0.43 1.74 -1.26 -3.19 116.66 119.99 2yub n ARG 53 Ca -0.18 -0.41 0.13 0.00 -0.77 0.00 0.00 57.85 56.62 2yub n ARG 53 Cb 0.51 -1.49 0.34 0.00 -1.02 0.00 0.00 32.46 30.80 2yub n ARG 53 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2yub h MET 54 N 1.01 0.00 -0.00 5.56 2.86 -1.98 -3.23 114.93 119.15 2yub h MET 54 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2yub h MET 54 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2yub h MET 54 CO 0.00 0.05 -0.09 0.72 1.06 0.00 0.00 176.91 178.65 2yub n HIS 55 N -3.12 0.00 -4.40 -0.22 8.25 -1.24 -4.97 115.22 109.52 2yub n HIS 55 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 2yub n HIS 55 Cb 0.47 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.95 2.24 1.06 1.59 1.01 -1.19 -5.05 121.20 119.90 2yub s ILE 56 Ca 0.02 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 2yub s ILE 56 Cb 0.02 -1.93 0.20 0.00 0.01 0.00 0.00 42.46 40.76 2yub s ILE 56 CO 0.09 0.53 0.91 -1.20 0.00 0.00 0.00 174.94 175.28 2yub n SER 57 N 4.32 -1.07 0.18 3.58 7.64 -1.26 -4.63 113.62 122.38 2yub n SER 57 Ca -0.20 0.10 0.03 0.00 1.01 0.00 0.00 58.87 59.82 2yub n SER 57 Cb 0.51 -1.31 0.34 0.00 -1.01 0.00 0.00 64.21 62.74 2yub n SER 57 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2yub h PRO 58 N -2.24 0.00 0.00 1.43 0.13 -1.97 -0.99 132.00 128.36 2yub h PRO 58 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2yub h PRO 58 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2yub h PRO 58 CO 0.44 0.41 0.00 -1.71 -0.23 0.00 0.00 178.00 176.90 2yub n ASN 59 N -3.82 0.00 -0.00 1.44 4.05 -1.26 -2.67 115.26 112.99 2yub n ASN 59 Ca -0.01 0.43 0.00 0.00 0.45 0.00 0.00 54.58 55.45 2yub n ASN 59 Cb 0.47 -0.46 -0.00 0.00 1.23 0.00 0.00 39.78 41.01 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2yub n ASN 60 N -1.46 4.93 0.00 1.20 3.02 -1.00 -4.59 115.26 117.36 2yub n ASN 60 Ca 0.04 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.68 2yub n ASN 60 Cb 0.14 0.88 0.47 0.00 -0.61 0.00 0.00 39.78 40.67 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 -1.64 0.21 -0.00 3.52 1.85 -0.41 -2.43 116.66 117.76 2yub n ARG 61 Ca -0.00 0.12 -0.01 0.00 -1.00 0.00 0.00 57.85 56.95 2yub n ARG 61 Cb 0.14 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.94 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 -1.34 0.57 0.07 2.89 0.23 -1.19 -4.31 115.26 112.19 2yub n ASN 62 Ca 0.08 0.25 -0.23 0.00 -0.53 0.00 0.00 54.58 54.16 2yub n ASN 62 Cb 0.17 0.56 -0.15 0.00 -2.08 0.00 0.00 39.78 38.29 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yub h ALA 63 N 1.39 0.16 -2.04 -2.53 0.00 -1.75 -3.47 119.26 111.02 2yub h ALA 63 Ca -0.23 -1.14 -0.52 0.00 0.00 0.00 0.00 54.91 53.01 2yub h ALA 63 Cb 1.67 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.84 2yub h ALA 63 CO 0.04 1.03 -0.54 -1.50 0.00 0.00 0.00 179.25 178.29 2yub s ILE 64 N -2.58 3.66 0.00 0.00 2.07 -1.02 -4.87 121.20 118.47 2yub s ILE 64 Ca -0.15 -1.58 0.00 0.00 -1.41 0.00 0.00 60.65 57.51 2yub s ILE 64 Cb 0.05 -3.12 0.00 0.00 0.13 0.00 0.00 42.46 39.52 2yub s ILE 64 CO 0.85 -0.27 0.00 0.00 -1.91 0.00 0.00 174.94 173.61 2yub n HIS 65 N -1.16 0.00 -2.16 3.50 1.44 -1.26 -4.68 115.22 110.91 2yub n HIS 65 Ca -0.05 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.24 2yub n HIS 65 Cb 0.59 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.68 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 -2.00 4.22 0.00 -1.40 0.04 -1.26 -3.28 135.00 131.31 2yub s PRO 66 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2yub s PRO 66 Cb 0.00 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2yub s PRO 66 CO 0.00 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2yub n GLY 67 N 3.88 0.82 3.94 0.56 0.00 -1.22 -5.06 105.19 108.11 2yub n GLY 67 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.12 5.27 -0.13 1.61 1.01 -1.21 -4.96 116.67 118.15 2yub s ASP 68 Ca 0.00 -0.65 0.00 0.00 0.71 0.00 0.00 52.55 52.61 2yub s ASP 68 Cb 0.00 -0.48 0.02 0.00 1.01 0.00 0.00 42.92 43.48 2yub s ASP 68 CO 0.00 -0.78 -0.13 0.00 0.21 0.00 0.00 175.17 174.47 2yub s ARG 69 N -4.27 2.06 0.13 8.23 1.70 -1.26 -2.17 118.95 123.37 2yub s ARG 69 Ca 0.51 -0.47 -0.30 0.00 -0.47 0.00 0.00 55.73 55.00 2yub s ARG 69 Cb -0.06 -1.91 -0.07 0.00 -0.57 0.00 0.00 34.95 32.34 2yub s ARG 69 CO 0.31 -0.21 1.18 0.42 -1.08 0.00 0.00 175.30 175.92 2yub s ILE 70 N 1.43 3.82 -0.22 4.99 1.01 -1.20 -3.84 121.20 127.19 2yub s ILE 70 Ca 0.02 1.44 -0.09 0.00 0.00 0.00 0.00 60.65 62.02 2yub s ILE 70 Cb -0.13 -3.92 -0.18 0.00 0.01 0.00 0.00 42.46 38.24 2yub s ILE 70 CO -0.08 0.18 -0.04 0.18 0.00 0.00 0.00 174.94 175.18 2yub n LEU 71 N 3.08 2.41 -3.89 2.97 4.77 -1.03 -4.56 117.00 120.75 2yub n LEU 71 Ca 0.06 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2yub n LEU 71 Cb 0.46 -0.95 -0.14 0.00 -2.33 0.00 0.00 43.42 40.46 2yub n LEU 71 CO 0.55 0.70 -0.36 -1.61 -1.33 0.00 0.00 177.39 175.34 2yub s GLU 72 N -2.50 0.06 -0.19 3.23 2.02 -1.26 -2.87 118.70 117.20 2yub s GLU 72 Ca -0.32 -0.10 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 2yub s GLU 72 Cb 0.09 0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.34 2yub s GLU 72 CO 0.61 -0.00 -0.14 0.42 0.02 0.00 0.00 175.26 176.16 2yub s ILE 73 N -0.24 2.59 -1.33 -1.63 1.01 -0.28 -2.57 121.20 118.76 2yub s ILE 73 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2yub s ILE 73 Cb -0.02 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.33 2yub s ILE 73 CO -0.00 0.50 0.00 0.59 0.00 0.00 0.00 174.94 176.03 2yub n ASN 74 N 4.53 -4.85 -0.04 3.58 3.02 0.71 -2.25 115.26 119.96 2yub n ASN 74 Ca -0.20 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2yub n ASN 74 Cb 0.51 -3.45 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 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 -0.99 1.02 3.01 7.41 0.00 -1.26 -4.93 105.19 109.45 2yub n GLY 75 Ca -0.12 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 2yub n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yub s THR 76 N -2.09 0.45 -0.06 2.61 -4.23 -0.95 -5.12 115.64 106.25 2yub s THR 76 Ca 0.00 -0.71 -0.30 0.00 -1.18 0.00 0.00 61.69 59.51 2yub s THR 76 Cb 0.00 -0.47 -0.05 0.00 1.34 0.00 0.00 72.50 73.32 2yub s THR 76 CO 0.00 -0.19 1.50 -2.16 -0.54 0.00 0.00 174.62 173.23 2yub s PRO 77 N -0.96 4.22 0.15 3.99 0.04 -1.26 -1.12 135.00 140.05 2yub s PRO 77 Ca -0.05 2.01 0.23 0.00 0.04 0.00 0.00 61.00 63.23 2yub s PRO 77 Cb -0.07 -3.81 0.89 0.00 0.04 0.00 0.00 34.50 31.56 2yub s PRO 77 CO 0.00 -0.74 1.70 1.33 0.04 0.00 0.00 177.00 179.33 2yub n VAL 78 N 5.21 0.70 0.93 -0.36 0.24 -1.14 -1.84 118.33 122.07 2yub n VAL 78 Ca 0.15 0.09 0.14 0.00 -2.04 0.00 0.00 64.34 62.68 2yub n VAL 78 Cb 0.43 -0.90 0.58 0.00 -1.47 0.00 0.00 33.84 32.48 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 -1.95 0.05 -0.02 7.34 1.85 -1.26 -3.81 116.66 118.86 2yub n ARG 79 Ca 0.04 0.04 -0.02 0.00 -1.00 0.00 0.00 57.85 56.92 2yub n ARG 79 Cb 0.27 -1.56 -0.02 0.00 -1.05 0.00 0.00 32.46 30.10 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 -1.64 0.21 -1.77 8.89 -2.24 -1.01 -4.76 114.28 111.95 2yub n THR 80 Ca 0.07 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 2yub n THR 80 Cb 0.36 -0.87 0.02 0.00 -2.10 0.00 0.00 70.33 67.73 2yub n THR 80 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2yub s LEU 81 N -4.39 4.13 0.78 3.22 1.43 -0.76 -4.92 118.68 118.16 2yub s LEU 81 Ca -0.02 2.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.94 2yub s LEU 81 Cb 0.01 -3.90 0.06 0.00 0.03 0.00 0.00 46.19 42.39 2yub s LEU 81 CO 0.12 -1.17 1.10 -0.13 0.23 0.00 0.00 176.35 176.49 2yub s ARG 82 N -2.43 2.17 0.04 1.70 1.81 -1.26 -3.92 118.95 117.06 2yub s ARG 82 Ca 0.60 1.26 -0.14 0.00 -1.72 0.00 0.00 55.73 55.73 2yub s ARG 82 Cb -0.45 -1.88 -0.06 0.00 -0.45 0.00 0.00 34.95 32.11 2yub s ARG 82 CO 0.58 -1.72 1.23 0.28 -0.68 0.00 0.00 175.30 174.98 2yub h VAL 83 N -1.06 0.00 -0.83 3.52 2.07 -1.94 0.06 116.25 118.08 2yub h VAL 83 Ca -0.44 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.32 2yub h VAL 83 Cb 1.24 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2yub h VAL 83 CO 0.50 0.00 0.76 1.05 0.02 0.00 0.00 177.57 179.90 2yub h GLU 84 N -0.31 0.00 0.03 1.57 4.11 -1.94 0.94 114.58 118.98 2yub h GLU 84 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2yub h GLU 84 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2yub h GLU 84 CO -0.12 0.00 -0.01 1.49 0.07 0.00 0.00 179.01 180.44 2yub h GLU 85 N 0.00 -0.04 -0.10 1.06 4.22 -1.42 0.11 114.58 118.41 2yub h GLU 85 Ca 0.40 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.85 2yub h GLU 85 Cb 1.90 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 2yub h GLU 85 CO -0.00 0.53 0.07 0.28 -2.18 0.00 0.00 179.01 177.70 2yub h VAL 86 N -0.64 1.00 0.06 0.32 2.07 0.90 -1.23 116.25 118.73 2yub h VAL 86 Ca -0.00 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2yub h VAL 86 Cb 0.59 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2yub h VAL 86 CO 0.01 0.01 -0.41 -0.33 0.02 0.00 0.00 177.57 176.87 2yub h GLU 87 N 0.08 0.14 -0.22 1.57 5.08 -1.33 -3.36 114.58 116.54 2yub h GLU 87 Ca 0.04 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2yub h GLU 87 Cb 0.06 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2yub h GLU 87 CO -0.01 1.11 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.60 2yub h ASP 88 N -0.71 -0.26 -0.96 1.42 3.32 -0.64 -0.45 116.42 118.13 2yub h ASP 88 Ca -0.08 0.07 0.28 0.00 0.02 0.00 0.00 57.03 57.33 2yub h ASP 88 Cb 1.30 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.97 2yub h ASP 88 CO 0.06 -0.10 1.05 0.00 -1.72 0.00 0.00 179.24 178.53 2yub h ALA 89 N 1.17 2.84 0.03 3.45 0.00 -1.38 1.07 119.26 126.45 2yub h ALA 89 Ca 0.11 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.63 2yub h ALA 89 Cb 0.20 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2yub h ALA 89 CO -0.24 -1.54 -2.14 -0.89 0.00 0.00 0.00 179.25 174.43 2yub n ILE 90 N -3.42 1.55 1.75 0.00 2.08 -0.27 -4.10 119.36 116.96 2yub n ILE 90 Ca 0.21 -0.74 0.15 0.00 0.56 0.00 0.00 62.75 62.94 2yub n ILE 90 Cb 1.35 -1.09 0.83 0.00 -0.75 0.00 0.00 39.64 39.98 2yub n ILE 90 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2yub n LYS 91 N -3.09 0.88 -2.84 0.38 5.02 0.32 -4.74 118.16 114.09 2yub n LYS 91 Ca -0.31 -0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 55.44 2yub n LYS 91 Cb 1.07 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.54 2yub n LYS 91 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2yub s GLN 92 N -2.19 3.61 -0.38 1.97 1.03 0.16 -4.91 119.66 118.94 2yub s GLN 92 Ca 0.40 0.24 0.08 0.00 0.04 0.00 0.00 55.36 56.12 2yub s GLN 92 Cb 0.21 -3.89 0.44 0.00 0.03 0.00 0.00 33.01 29.80 2yub s GLN 92 CO 0.40 -1.12 1.12 0.25 -2.54 0.00 0.00 175.29 173.40 2yub n THR 93 N 6.24 2.25 -0.04 3.63 -2.24 -1.26 -4.71 114.28 118.15 2yub n THR 93 Ca 0.06 -4.47 -0.06 0.00 -2.27 0.00 0.00 64.05 57.31 2yub n THR 93 Cb 0.48 -0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 67.71 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 -0.52 3.19 -1.26 3.42 2.88 -1.26 -3.46 113.62 116.61 2yub n SER 94 Ca 0.36 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2yub n SER 94 Cb 0.77 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 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 -2.60 0.99 -2.25 -1.46 6.02 -1.26 -4.63 117.38 112.18 2yub n GLN 95 Ca -0.16 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.48 2yub n GLN 95 Cb 0.71 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.97 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 -1.38 3.14 -0.20 5.09 2.01 -1.26 -1.70 115.64 121.33 2yub s THR 96 Ca 0.00 0.73 0.01 0.00 0.31 0.00 0.00 61.69 62.73 2yub s THR 96 Cb 0.00 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.25 2yub s THR 96 CO 0.00 -0.14 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.49 2yub s LEU 97 N -3.71 2.27 -0.08 4.42 2.96 0.28 -4.89 118.68 119.94 2yub s LEU 97 Ca 0.72 -0.94 -0.18 0.00 -0.22 0.00 0.00 54.13 53.50 2yub s LEU 97 Cb -0.25 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.23 2yub s LEU 97 CO 0.28 -0.18 0.50 -1.58 -1.32 0.00 0.00 176.35 174.05 2yub s GLN 98 N 1.43 4.30 -0.02 1.98 0.74 -1.26 -3.51 119.66 123.31 2yub s GLN 98 Ca -0.02 0.51 0.04 0.00 0.05 0.00 0.00 55.36 55.94 2yub s GLN 98 Cb -0.17 -3.40 -0.01 0.00 1.10 0.00 0.00 33.01 30.54 2yub s GLN 98 CO -0.07 0.25 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.28 2yub s LEU 99 N 0.31 1.95 -0.18 3.68 1.43 -1.01 -0.21 118.68 124.66 2yub s LEU 99 Ca 0.27 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2yub s LEU 99 Cb -0.16 -0.66 -0.00 0.00 0.03 0.00 0.00 46.19 45.39 2yub s LEU 99 CO 0.12 0.13 -0.12 -0.22 0.23 0.00 0.00 176.35 176.49 2yub s LEU 100 N -0.13 2.59 0.13 1.79 2.96 -1.06 -2.08 118.68 122.87 2yub s LEU 100 Ca 0.02 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 2yub s LEU 100 Cb -0.07 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2yub s LEU 100 CO 0.00 0.04 0.12 -0.63 -1.32 0.00 0.00 176.35 174.56 2yub s ILE 101 N 1.06 4.51 -0.19 6.68 -1.09 -0.22 -2.45 121.20 129.50 2yub s ILE 101 Ca -0.00 -0.96 -0.06 0.00 -2.23 0.00 0.00 60.65 57.40 2yub s ILE 101 Cb -0.15 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 2yub s ILE 101 CO -0.03 -0.02 0.02 -0.70 -1.23 0.00 0.00 174.94 172.97 2yub s GLU 102 N -2.84 3.74 -0.25 2.79 2.12 -1.25 -2.80 118.70 120.21 2yub s GLU 102 Ca 0.30 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 55.13 2yub s GLU 102 Cb -0.11 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.19 2yub s GLU 102 CO 0.23 0.13 -0.03 -1.01 -0.54 0.00 0.00 175.26 174.04 2yub s HIS 103 N 0.71 3.03 0.13 5.30 3.76 -0.70 -4.81 115.29 122.72 2yub s HIS 103 Ca 0.01 -1.17 0.09 0.00 -0.15 0.00 0.00 55.06 53.83 2yub s HIS 103 Cb -0.14 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 2yub s HIS 103 CO 0.02 -0.62 -0.14 -0.51 -0.85 0.00 0.00 174.74 172.64 2yub s ASP 104 N 1.43 4.07 0.03 1.40 1.01 -1.26 -1.68 116.67 121.66 2yub s ASP 104 Ca 0.03 -0.54 -0.21 0.00 0.71 0.00 0.00 52.55 52.54 2yub s ASP 104 Cb -0.16 -0.64 -0.15 0.00 1.01 0.00 0.00 42.92 42.98 2yub s ASP 104 CO -0.03 0.16 1.33 1.55 0.21 0.00 0.00 175.17 178.39 2yub h PRO 105 N 3.48 0.30 -4.12 8.23 0.13 -1.98 -3.46 132.00 134.57 2yub h PRO 105 Ca -0.49 -0.16 -0.44 0.00 -0.87 0.00 0.00 66.00 64.04 2yub h PRO 105 Cb 1.18 0.01 0.09 0.00 0.13 0.00 0.00 31.00 32.41 2yub h PRO 105 CO 0.49 0.70 -0.51 1.55 -0.23 0.00 0.00 178.00 180.01 2yub n VAL 106 N -4.60 0.91 -0.93 1.56 3.14 -1.26 -4.92 118.33 112.23 2yub n VAL 106 Ca -0.06 -0.34 -0.24 0.00 -2.96 0.00 0.00 64.34 60.74 2yub n VAL 106 Cb 0.34 0.00 0.20 0.00 -1.06 0.00 0.00 33.84 33.32 2yub n VAL 106 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2yub n PRO 107 N 0.80 -2.70 -1.85 1.45 -0.04 -1.26 -4.93 135.00 126.47 2yub n PRO 107 Ca 0.10 -1.38 -0.42 0.00 -0.04 0.00 0.00 63.50 61.76 2yub n PRO 107 Cb 0.22 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 2yub n PRO 107 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2yub s GLN 108 N -4.95 4.18 -0.56 0.54 2.00 -1.26 -4.85 119.66 114.76 2yub s GLN 108 Ca 0.56 2.46 -0.26 0.00 -2.00 0.00 0.00 55.36 56.12 2yub s GLN 108 Cb -0.05 -3.18 -0.09 0.00 0.80 0.00 0.00 33.01 30.49 2yub s GLN 108 CO 0.43 -0.68 2.45 0.54 -0.50 0.00 0.00 175.29 177.53 2yub n ARG 109 N 4.17 0.90 -3.67 1.67 1.74 -1.26 -4.87 116.66 115.34 2yub n ARG 109 Ca 0.15 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 57.09 2yub n ARG 109 Cb 0.37 -3.24 -0.09 0.00 -1.02 0.00 0.00 32.46 28.49 2yub n ARG 109 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2yub s LEU 110 N 11.96 -0.38 -0.53 0.55 0.20 -1.26 -5.12 118.68 124.10 2yub s LEU 110 Ca 1.02 1.18 -0.12 0.00 0.69 0.00 0.00 54.13 56.90 2yub s LEU 110 Cb -0.29 1.90 0.13 0.00 -0.43 0.00 0.00 46.19 47.50 2yub s LEU 110 CO 0.28 -0.21 0.44 -1.81 -0.29 0.00 0.00 176.35 174.76 2yub s ASP 111 N 1.03 5.94 0.27 3.68 1.01 -1.26 -5.06 116.67 122.28 2yub s ASP 111 Ca -0.06 -1.97 -0.31 0.00 0.71 0.00 0.00 52.55 50.92 2yub s ASP 111 Cb -0.06 -2.09 -0.12 0.00 1.01 0.00 0.00 42.92 41.67 2yub s ASP 111 CO -0.09 -0.73 1.61 0.00 0.21 0.00 0.00 175.17 176.17 2yub n GLN 112 N 4.89 2.66 0.00 8.23 1.13 -1.26 -4.89 117.38 128.14 2yub n GLN 112 Ca -0.08 0.95 0.00 0.00 -1.94 0.00 0.00 57.00 55.93 2yub n GLN 112 Cb 0.41 -2.74 0.00 0.00 0.11 0.00 0.00 30.24 28.02 2yub n GLN 112 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2yub n SER 113 N 2.55 3.99 0.00 1.08 3.41 -1.26 -5.14 113.62 118.25 2yub n SER 113 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2yub n SER 113 Cb 0.36 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 3.18 4.23 0.07 5.00 0.00 -1.26 -5.01 105.19 111.40 2yub n GLY 114 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2yub n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yub h PRO 115 N 0.00 -0.04 -6.08 1.61 0.13 -2.04 -3.44 132.00 122.14 2yub h PRO 115 Ca 0.00 0.00 -0.80 0.00 -0.87 0.00 0.00 66.00 64.33 2yub h PRO 115 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.16 2yub h PRO 115 CO 0.00 0.42 0.69 -1.13 -0.23 0.00 0.00 178.00 177.75 2yub n SER 116 N -4.88 1.57 -1.80 1.44 3.41 -1.26 -4.91 113.62 107.18 2yub n SER 116 Ca -0.08 1.14 -0.06 0.00 -0.26 0.00 0.00 58.87 59.60 2yub n SER 116 Cb 0.25 -1.01 -0.02 0.00 -0.26 0.00 0.00 64.21 63.18 2yub n SER 116 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yub n SER 117 N 4.15 -0.50 0.00 4.04 7.64 -1.26 -5.16 113.62 122.54 2yub n SER 117 Ca 0.27 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2yub n SER 117 Cb 0.05 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64