#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 5.76 -3.69 1.61 7.64 -1.26 -5.00 113.62 118.68 2yub n SER 2 Ca 0.00 -3.75 -0.11 0.00 1.01 0.00 0.00 58.87 56.02 2yub n SER 2 Cb 0.00 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 62.45 2yub n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yub s SER 3 N -2.61 0.19 0.00 6.43 1.04 -1.26 -5.05 113.70 112.43 2yub s SER 3 Ca 0.49 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2yub s SER 3 Cb 0.39 0.63 0.00 0.00 0.10 0.00 0.00 66.02 67.14 2yub s SER 3 CO -0.25 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.34 2yub n GLY 4 N -0.44 0.78 2.92 7.32 0.00 -1.26 -5.10 105.19 109.40 2yub n GLY 4 Ca -0.02 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 2yub n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yub s SER 5 N -1.52 4.39 0.00 1.61 0.15 -1.26 -5.06 113.70 112.01 2yub s SER 5 Ca 0.00 -2.39 0.00 0.00 0.70 0.00 0.00 55.95 54.26 2yub s SER 5 Cb 0.00 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 2yub s SER 5 CO 0.00 -0.33 0.00 -1.20 1.20 0.00 0.00 173.24 172.91 2yub n SER 6 N 3.92 0.00 0.00 5.45 7.64 -1.26 -5.10 113.62 124.28 2yub n SER 6 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2yub n SER 6 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.29 0.50 3.77 0.23 0.00 -1.26 -4.74 105.19 103.39 2yub n GLY 7 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2yub n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2yub n VAL 8 N 0.00 0.00 0.00 1.61 3.14 -1.26 -3.74 118.33 118.08 2yub n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2yub n VAL 8 Cb 0.00 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.44 2yub n VAL 8 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2yub n GLN 9 N -3.32 0.00 -2.31 1.45 7.27 -1.26 -4.83 117.38 114.38 2yub n GLN 9 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 2yub n GLN 9 Cb 0.41 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.06 2yub n GLN 9 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2yub n ASP 10 N 1.29 -9.53 -4.22 1.69 2.03 -1.25 -4.91 116.55 101.66 2yub n ASP 10 Ca 0.00 1.79 -0.34 0.00 0.52 0.00 0.00 54.79 56.75 2yub n ASP 10 Cb 0.00 -5.22 0.11 0.00 -0.72 0.00 0.00 41.12 35.29 2yub n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yub n GLN 11 N 1.86 -0.67 -1.24 -0.67 1.13 -1.26 -4.89 117.38 111.64 2yub n GLN 11 Ca 0.00 -0.18 -0.34 0.00 -1.94 0.00 0.00 57.00 54.55 2yub n GLN 11 Cb 0.00 -1.49 0.11 0.00 0.11 0.00 0.00 30.24 28.97 2yub n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2yub s LEU 12 N 2.11 3.20 0.57 1.08 1.43 -1.26 -4.98 118.68 120.84 2yub s LEU 12 Ca 0.50 2.33 -0.18 0.00 -1.03 0.00 0.00 54.13 55.75 2yub s LEU 12 Cb -0.11 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.48 2yub s LEU 12 CO 0.69 -2.48 1.12 -2.16 0.23 0.00 0.00 176.35 173.75 2yub s PRO 13 N -4.09 3.21 0.19 1.29 0.04 -1.26 -4.90 135.00 129.49 2yub s PRO 13 Ca 0.73 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2yub s PRO 13 Cb -0.28 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.10 2yub s PRO 13 CO 0.49 -0.95 0.69 0.98 0.04 0.00 0.00 177.00 178.25 2yub n TYR 14 N -1.59 0.01 -4.04 0.56 9.36 -1.26 -4.94 117.16 115.26 2yub n TYR 14 Ca 0.11 0.92 -0.32 0.00 3.32 0.00 0.00 57.90 61.93 2yub n TYR 14 Cb 0.51 -2.04 -0.15 0.00 -0.63 0.00 0.00 39.34 37.04 2yub n TYR 14 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2yub s SER 15 N -0.76 4.57 0.53 2.98 1.04 -1.02 -5.07 113.70 115.98 2yub s SER 15 Ca 0.67 -1.52 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 2yub s SER 15 Cb -0.93 -1.59 0.01 0.00 0.10 0.00 0.00 66.02 63.62 2yub s SER 15 CO 0.56 -0.24 0.78 0.68 0.98 0.00 0.00 173.24 176.01 2yub s VAL 16 N 1.09 3.48 -0.10 5.02 -7.23 -1.26 -0.73 120.40 120.65 2yub s VAL 16 Ca -0.05 -0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 2yub s VAL 16 Cb -0.20 -3.33 0.03 0.00 0.56 0.00 0.00 36.38 33.44 2yub s VAL 16 CO -0.05 -0.27 0.27 -0.89 -0.31 0.00 0.00 175.10 173.85 2yub s THR 17 N -2.77 -0.00 0.06 5.32 2.01 -0.49 -4.86 115.64 114.91 2yub s THR 17 Ca 0.53 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.63 2yub s THR 17 Cb -0.10 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 2yub s THR 17 CO 0.40 0.00 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.88 2yub s LEU 18 N 0.24 2.19 0.02 4.42 1.98 -1.26 -1.06 118.68 125.21 2yub s LEU 18 Ca -0.01 -0.59 0.03 0.00 -2.89 0.00 0.00 54.13 50.68 2yub s LEU 18 Cb -0.03 -1.13 -0.02 0.00 0.66 0.00 0.00 46.19 45.68 2yub s LEU 18 CO -0.00 0.20 -0.10 0.27 -1.89 0.00 0.00 176.35 174.82 2yub s ILE 19 N -0.85 0.78 -0.30 6.68 -4.36 -0.16 -4.99 121.20 118.01 2yub s ILE 19 Ca 0.10 -0.74 -0.03 0.00 -0.26 0.00 0.00 60.65 59.72 2yub s ILE 19 Cb -0.10 -0.72 0.11 0.00 1.25 0.00 0.00 42.46 43.01 2yub s ILE 19 CO 0.03 -0.01 0.18 -0.94 0.24 0.00 0.00 174.94 174.43 2yub s SER 20 N -0.84 3.06 0.04 4.36 1.04 -1.26 -1.59 113.70 118.51 2yub s SER 20 Ca -0.00 -1.26 0.09 0.00 0.48 0.00 0.00 55.95 55.26 2yub s SER 20 Cb -0.06 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 2yub s SER 20 CO 0.00 -0.42 -0.26 0.00 0.98 0.00 0.00 173.24 173.55 2yub s MET 21 N 2.06 1.83 0.96 4.02 0.23 -1.16 -4.96 119.30 122.26 2yub s MET 21 Ca 0.10 -1.10 -0.12 0.00 -1.03 0.00 0.00 55.69 53.54 2yub s MET 21 Cb -0.16 -1.99 0.16 0.00 -1.53 0.00 0.00 34.83 31.31 2yub s MET 21 CO -0.32 0.52 1.09 -1.25 -2.03 0.00 0.00 175.02 173.02 2yub s PRO 22 N -1.24 0.76 0.00 3.16 0.04 -1.26 -0.39 135.00 136.08 2yub s PRO 22 Ca 0.12 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2yub s PRO 22 Cb -0.10 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2yub s PRO 22 CO 0.02 -2.54 0.00 0.00 0.04 0.00 0.00 177.00 174.52 2yub n ALA 23 N -4.06 0.00 -1.90 8.56 0.00 -0.79 -4.69 120.51 117.63 2yub n ALA 23 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2yub n ALA 23 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2yub n ALA 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yub n THR 24 N -0.70 0.00 -0.86 0.00 -2.24 -1.26 -5.03 114.28 104.19 2yub n THR 24 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2yub n THR 24 Cb 0.00 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.05 -4.04 4.28 -1.04 -1.26 -4.82 114.28 105.35 2yub n THR 25 Ca 0.00 0.93 0.00 0.00 -2.04 0.00 0.00 64.05 62.94 2yub n THR 25 Cb 0.54 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 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 -1.80 0.00 0.00 -2.82 -0.58 -1.26 -3.50 120.64 110.68 2yub n GLU 26 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2yub n GLU 26 Cb 0.19 0.00 0.44 0.00 -0.57 0.00 0.00 31.44 31.50 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 -2.21 3.72 0.35 0.00 0.52 -1.23 -4.80 118.95 115.31 2yub s ARG 28 Ca 0.32 2.29 0.00 0.00 -0.52 0.00 0.00 55.73 57.82 2yub s ARG 28 Cb 0.20 -2.64 -0.00 0.00 0.52 0.00 0.00 34.95 33.03 2yub s ARG 28 CO 0.41 -0.75 0.01 2.89 0.02 0.00 0.00 175.30 177.89 2yub n ARG 29 N -0.19 1.08 0.00 3.54 0.00 -1.26 -4.63 116.66 115.20 2yub n ARG 29 Ca 0.05 -2.61 0.00 0.00 -0.00 0.00 0.00 57.85 55.30 2yub n ARG 29 Cb 0.43 0.78 0.00 0.00 -0.00 0.00 0.00 32.46 33.67 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 0.63 -0.20 3.49 2.89 0.00 -1.26 -5.00 105.19 105.74 2yub n GLY 30 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.17 -0.58 0.26 1.61 -0.71 -1.26 -1.95 117.98 115.17 2yub s PHE 31 Ca 0.00 0.78 0.10 0.00 -1.04 0.00 0.00 56.93 56.77 2yub s PHE 31 Cb 0.00 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 2yub s PHE 31 CO 0.00 -0.67 -0.02 -1.12 -1.34 0.00 0.00 175.22 172.07 2yub s SER 32 N -1.78 4.47 0.01 1.98 0.01 -0.20 -5.01 113.70 113.17 2yub s SER 32 Ca -0.06 -0.66 -0.00 0.00 1.31 0.00 0.00 55.95 56.54 2yub s SER 32 Cb -0.00 -0.81 -0.01 0.00 0.21 0.00 0.00 66.02 65.41 2yub s SER 32 CO 0.01 0.01 -0.01 0.68 0.41 0.00 0.00 173.24 174.34 2yub s VAL 33 N -2.28 0.06 -0.20 3.43 -7.23 -1.26 -2.82 120.40 110.10 2yub s VAL 33 Ca 0.31 -0.52 -0.08 0.00 -1.81 0.00 0.00 61.98 59.88 2yub s VAL 33 Cb -0.07 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 2yub s VAL 33 CO 0.19 -0.28 0.08 -0.89 -0.31 0.00 0.00 175.10 173.89 2yub s THR 34 N -0.84 4.91 -0.05 5.32 2.01 -0.20 -4.81 115.64 121.98 2yub s THR 34 Ca -0.09 0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.94 2yub s THR 34 Cb -0.06 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 2yub s THR 34 CO -0.00 0.44 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.58 2yub s VAL 35 N 0.52 3.45 -0.08 3.82 1.01 -1.26 -2.48 120.40 125.38 2yub s VAL 35 Ca 0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2yub s VAL 35 Cb -0.12 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.90 2yub s VAL 35 CO 0.01 0.57 0.15 -1.61 0.00 0.00 0.00 175.10 174.22 2yub s GLU 36 N -0.85 0.03 -0.02 2.72 2.02 -1.10 -5.07 118.70 116.43 2yub s GLU 36 Ca 0.13 0.53 -0.15 0.00 0.02 0.00 0.00 54.97 55.50 2yub s GLU 36 Cb -0.11 -0.28 -0.06 0.00 0.10 0.00 0.00 34.13 33.78 2yub s GLU 36 CO 0.02 -0.30 0.40 0.45 0.02 0.00 0.00 175.26 175.85 2yub s SER 37 N 2.18 6.78 0.00 -0.19 0.15 -1.26 -3.46 113.70 117.90 2yub s SER 37 Ca 0.02 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2yub s SER 37 Cb -0.12 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2yub s SER 37 CO -0.06 0.30 0.00 0.00 1.20 0.00 0.00 173.24 174.68 2yub n ALA 38 N 2.00 1.36 -1.00 5.45 0.00 -1.26 -5.02 120.51 122.04 2yub n ALA 38 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2yub n ALA 38 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.04 0.00 0.00 0.00 2.88 -1.26 -4.95 113.62 108.25 2yub n SER 39 Ca 0.00 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2yub n SER 39 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.22 0.00 0.00 -3.46 7.64 -1.26 -5.00 113.62 111.31 2yub n SER 40 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2yub n SER 40 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2yub n SER 40 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2yub n ASN 41 N -0.33 0.80 -4.50 6.43 0.23 -1.26 -5.06 115.26 111.58 2yub n ASN 41 Ca 0.00 -1.16 -0.27 0.00 -0.53 0.00 0.00 54.58 52.62 2yub n ASN 41 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 2yub s TYR 42 N -0.16 2.47 1.08 -2.53 1.13 -1.26 -4.34 117.35 113.74 2yub s TYR 42 Ca 0.00 -0.29 -0.15 0.00 -1.41 0.00 0.00 57.07 55.23 2yub s TYR 42 Cb 0.00 -1.22 0.15 0.00 -1.10 0.00 0.00 41.96 39.79 2yub s TYR 42 CO 0.00 0.50 0.54 0.00 -2.51 0.00 0.00 175.55 174.07 2yub n ALA 43 N 0.21 -3.05 0.00 9.51 0.00 -1.20 -4.50 120.51 121.48 2yub n ALA 43 Ca -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2yub n ALA 43 Cb 0.55 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -4.41 0.00 -4.33 0.00 5.66 -1.25 -4.24 114.28 105.71 2yub n THR 44 Ca 0.04 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.71 2yub n THR 44 Cb 0.57 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.18 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 2.05 -0.11 1.09 2.01 -1.22 -4.65 115.64 113.80 2yub s THR 45 Ca 0.00 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 2yub s THR 45 Cb 0.00 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.70 2yub s THR 45 CO 0.00 0.54 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 2yub s VAL 46 N 1.11 0.96 -0.05 3.82 1.01 -1.26 -2.73 120.40 123.26 2yub s VAL 46 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2yub s VAL 46 Cb -0.14 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.25 2yub s VAL 46 CO -0.09 0.33 -0.08 -1.10 0.00 0.00 0.00 175.10 174.16 2yub s GLN 47 N 1.73 1.19 0.43 2.72 -0.21 -1.03 -2.03 119.66 122.47 2yub s GLN 47 Ca 0.05 -0.24 -0.26 0.00 0.02 0.00 0.00 55.36 54.93 2yub s GLN 47 Cb -0.13 -1.07 -0.09 0.00 1.00 0.00 0.00 33.01 32.72 2yub s GLN 47 CO -0.08 -0.02 1.35 0.28 -2.12 0.00 0.00 175.29 174.70 2yub n VAL 48 N 3.90 2.64 -0.05 1.09 0.31 0.17 -1.03 118.33 125.36 2yub n VAL 48 Ca -0.24 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.53 2yub n VAL 48 Cb 0.51 -1.71 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 2yub n VAL 48 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2yub n LYS 49 N -0.04 0.33 -4.24 5.55 4.81 -1.13 -2.57 118.16 120.86 2yub n LYS 49 Ca 0.06 0.13 -0.20 0.00 -0.87 0.00 0.00 58.31 57.42 2yub n LYS 49 Cb 0.40 -1.06 -0.12 0.00 0.02 0.00 0.00 35.03 34.27 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 -2.40 0.94 -0.04 1.64 2.02 -1.25 -4.55 118.70 115.05 2yub s GLU 50 Ca -0.18 -0.99 -0.00 0.00 0.02 0.00 0.00 54.97 53.82 2yub s GLU 50 Cb 0.02 -1.03 0.03 0.00 0.10 0.00 0.00 34.13 33.26 2yub s GLU 50 CO 0.27 0.24 -0.00 0.08 0.02 0.00 0.00 175.26 175.86 2yub s VAL 51 N -1.17 0.29 -0.20 2.63 1.01 -1.26 -1.03 120.40 120.66 2yub s VAL 51 Ca 0.01 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 2yub s VAL 51 Cb -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 2yub s VAL 51 CO 0.03 0.20 0.02 0.21 0.00 0.00 0.00 175.10 175.55 2yub s ASN 52 N 1.35 5.02 0.13 3.32 2.47 -0.82 -4.96 114.94 121.45 2yub s ASN 52 Ca -0.05 -0.14 0.11 0.00 0.42 0.00 0.00 52.86 53.21 2yub s ASN 52 Cb -0.13 -1.86 -0.13 0.00 -1.45 0.00 0.00 41.25 37.68 2yub s ASN 52 CO -0.02 0.09 1.19 0.03 -3.72 0.00 0.00 177.10 174.66 2yub h ARG 53 N 7.32 0.00 0.00 0.43 3.08 -1.84 -2.06 114.38 121.30 2yub h ARG 53 Ca -0.35 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 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 0.71 -0.00 1.98 -1.07 0.00 0.00 179.97 182.22 2yub h MET 54 N 0.00 0.00 0.00 0.04 4.05 -1.93 -2.91 114.93 114.17 2yub h MET 54 Ca -0.06 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.15 2yub h MET 54 Cb 1.68 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.44 2yub h MET 54 CO 0.10 0.00 -1.77 0.72 0.23 0.00 0.00 176.91 176.18 2yub n HIS 55 N -3.15 0.00 -2.89 1.39 8.25 -1.23 -4.96 115.22 112.63 2yub n HIS 55 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 2yub n HIS 55 Cb 0.09 -0.53 -0.04 0.00 1.12 0.00 0.00 29.99 30.63 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 -2.27 4.88 0.47 1.59 1.01 -0.78 -4.94 121.20 121.16 2yub s ILE 56 Ca -0.14 1.62 -0.19 0.00 0.00 0.00 0.00 60.65 61.93 2yub s ILE 56 Cb 0.04 -4.13 -0.15 0.00 0.01 0.00 0.00 42.46 38.23 2yub s ILE 56 CO 0.36 0.01 -0.05 -1.54 0.00 0.00 0.00 174.94 173.72 2yub n SER 57 N 5.34 -3.38 0.01 3.58 3.41 -1.26 -4.66 113.62 116.65 2yub n SER 57 Ca 0.05 0.70 0.07 0.00 -0.26 0.00 0.00 58.87 59.43 2yub n SER 57 Cb 0.49 -0.87 0.31 0.00 -0.26 0.00 0.00 64.21 63.88 2yub n SER 57 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2yub n PRO 58 N 1.43 0.01 -0.09 4.33 -0.04 -1.26 -1.91 135.00 137.46 2yub n PRO 58 Ca 0.09 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 2yub n PRO 58 Cb 0.45 -1.52 0.25 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.54 2.74 0.00 3.54 4.13 -1.26 -4.04 115.26 118.83 2yub n ASN 59 Ca 0.03 -1.88 0.00 0.00 1.68 0.00 0.00 54.58 54.41 2yub n ASN 59 Cb 0.17 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 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 1.06 0.66 -0.26 6.41 3.02 -0.80 -4.71 115.26 120.64 2yub n ASN 60 Ca 0.17 -1.18 0.11 0.00 -0.03 0.00 0.00 54.58 53.65 2yub n ASN 60 Cb 0.52 0.00 0.53 0.00 -0.61 0.00 0.00 39.78 40.22 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 -0.09 1.35 -0.03 3.52 1.85 -1.05 -3.43 116.66 118.78 2yub n ARG 61 Ca 0.00 -0.52 0.02 0.00 -1.00 0.00 0.00 57.85 56.35 2yub n ARG 61 Cb 0.22 -1.37 -0.10 0.00 -1.05 0.00 0.00 32.46 30.16 2yub n ARG 61 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2yub n ASN 62 N -0.29 1.87 -0.00 2.89 5.15 -1.26 -4.72 115.26 118.90 2yub n ASN 62 Ca 0.16 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.13 2yub n ASN 62 Cb 0.20 1.31 -0.00 0.00 -0.53 0.00 0.00 39.78 40.76 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yub h ALA 63 N 1.01 -0.09 -2.38 5.20 0.00 -1.87 -3.47 119.26 117.66 2yub h ALA 63 Ca -0.13 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.26 2yub h ALA 63 Cb 1.07 0.03 0.06 0.00 0.00 0.00 0.00 17.79 18.95 2yub h ALA 63 CO 0.01 -0.09 0.37 -1.50 0.00 0.00 0.00 179.25 178.04 2yub s ILE 64 N -1.62 4.32 -0.04 0.00 2.07 -1.24 -4.97 121.20 119.73 2yub s ILE 64 Ca -0.01 0.64 -0.29 0.00 -1.41 0.00 0.00 60.65 59.58 2yub s ILE 64 Cb 0.00 -3.73 0.11 0.00 0.13 0.00 0.00 42.46 38.96 2yub s ILE 64 CO 0.03 -0.93 0.90 -1.00 -1.91 0.00 0.00 174.94 172.03 2yub s HIS 65 N -3.17 -0.36 -0.74 3.50 3.76 -1.26 -4.84 115.29 112.18 2yub s HIS 65 Ca 0.55 0.32 -0.26 0.00 -0.15 0.00 0.00 55.06 55.52 2yub s HIS 65 Cb -0.11 0.52 -0.03 0.00 1.11 0.00 0.00 32.58 34.07 2yub s HIS 65 CO 0.52 -0.51 1.90 -1.25 -0.85 0.00 0.00 174.74 174.55 2yub s PRO 66 N -2.68 2.60 0.00 8.40 0.04 -1.26 -2.57 135.00 139.53 2yub s PRO 66 Ca 0.03 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2yub s PRO 66 Cb -0.01 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.85 2yub s PRO 66 CO -0.06 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.38 2yub n GLY 67 N 6.20 1.23 3.56 0.56 0.00 -1.06 -4.96 105.19 110.72 2yub n GLY 67 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.29 -0.07 1.61 1.01 -1.06 -4.62 116.67 114.83 2yub s ASP 68 Ca 0.00 1.10 0.04 0.00 0.71 0.00 0.00 52.55 54.40 2yub s ASP 68 Cb 0.00 -1.68 -0.00 0.00 1.01 0.00 0.00 42.92 42.25 2yub s ASP 68 CO 0.00 -3.95 -0.20 0.00 0.21 0.00 0.00 175.17 171.23 2yub s ARG 69 N -4.93 2.25 -0.13 8.23 1.70 -1.26 -0.66 118.95 124.16 2yub s ARG 69 Ca 0.68 -0.70 -0.20 0.00 -0.47 0.00 0.00 55.73 55.03 2yub s ARG 69 Cb -0.18 -1.84 -0.03 0.00 -0.57 0.00 0.00 34.95 32.33 2yub s ARG 69 CO 0.59 0.21 0.59 0.42 -1.08 0.00 0.00 175.30 176.03 2yub s ILE 70 N 0.20 5.09 -0.06 4.99 1.01 -0.86 -3.32 121.20 128.26 2yub s ILE 70 Ca -0.10 1.17 -0.11 0.00 0.00 0.00 0.00 60.65 61.61 2yub s ILE 70 Cb -0.15 -3.92 -0.30 0.00 0.01 0.00 0.00 42.46 38.10 2yub s ILE 70 CO 0.05 0.23 0.62 -0.07 0.00 0.00 0.00 174.94 175.77 2yub h LEU 71 N 7.22 0.59 -7.58 2.97 -0.00 -1.61 -3.42 115.31 113.48 2yub h LEU 71 Ca -0.38 -0.94 -0.17 0.00 -0.00 0.00 0.00 57.88 56.39 2yub h LEU 71 Cb 1.17 -0.19 -0.25 0.00 -0.00 0.00 0.00 40.66 41.39 2yub h LEU 71 CO 0.76 1.80 -0.49 -1.61 -0.00 0.00 0.00 178.44 178.89 2yub s GLU 72 N -2.57 0.27 -0.24 1.13 2.02 -1.26 -3.19 118.70 114.86 2yub s GLU 72 Ca -0.17 0.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.89 2yub s GLU 72 Cb 0.05 0.13 -0.02 0.00 0.10 0.00 0.00 34.13 34.40 2yub s GLU 72 CO 0.84 -0.04 0.02 0.42 0.02 0.00 0.00 175.26 176.51 2yub s ILE 73 N -0.20 3.85 0.00 -1.63 1.01 -0.63 -2.76 121.20 120.84 2yub s ILE 73 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.26 2yub s ILE 73 Cb -0.03 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2yub s ILE 73 CO 0.01 0.36 0.00 0.59 0.00 0.00 0.00 174.94 175.89 2yub n ASN 74 N 4.86 -3.55 0.00 3.58 3.02 -0.11 -2.59 115.26 120.47 2yub n ASN 74 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2yub n ASN 74 Cb 0.51 -2.12 0.00 0.00 -0.61 0.00 0.00 39.78 37.56 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 -0.94 1.35 2.95 7.41 0.00 -1.26 -4.85 105.19 109.85 2yub n GLY 75 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 0.07 -0.24 2.61 -4.23 -1.07 -5.10 115.64 105.68 2yub s THR 76 Ca 0.00 -0.56 -0.29 0.00 -1.18 0.00 0.00 61.69 59.66 2yub s THR 76 Cb 0.00 -0.18 -0.02 0.00 1.34 0.00 0.00 72.50 73.64 2yub s THR 76 CO 0.00 -0.31 1.62 -2.16 -0.54 0.00 0.00 174.62 173.23 2yub s PRO 77 N -0.91 3.75 0.48 3.99 0.04 -1.26 -1.61 135.00 139.48 2yub s PRO 77 Ca -0.10 1.61 0.27 0.00 0.04 0.00 0.00 61.00 62.82 2yub s PRO 77 Cb -0.06 -4.05 0.85 0.00 0.04 0.00 0.00 34.50 31.28 2yub s PRO 77 CO -0.01 -1.35 1.79 -0.39 0.04 0.00 0.00 177.00 177.09 2yub h VAL 78 N 6.21 0.15 0.00 -0.36 -1.51 -1.90 -1.89 116.25 116.95 2yub h VAL 78 Ca -0.33 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.24 2yub h VAL 78 Cb 1.15 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 2yub h VAL 78 CO 1.01 0.07 0.00 -2.11 -1.23 0.00 0.00 177.57 175.31 2yub n ARG 79 N -3.15 0.37 0.00 5.19 0.00 -1.26 -3.21 116.66 114.59 2yub n ARG 79 Ca 0.02 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2yub n ARG 79 Cb 0.43 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.39 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 -1.18 0.00 -0.49 8.89 -2.24 -1.09 -4.70 114.28 113.47 2yub n THR 80 Ca 0.10 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.63 2yub n THR 80 Cb 0.11 -0.63 0.20 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.48 -1.40 -4.86 3.22 4.77 -0.73 -4.79 117.00 111.73 2yub n LEU 81 Ca 0.00 -0.42 -0.34 0.00 -0.03 0.00 0.00 56.01 55.22 2yub n LEU 81 Cb 0.32 -0.90 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 2yub n LEU 81 CO 0.00 -3.53 0.17 -0.13 -1.33 0.00 0.00 177.39 172.57 2yub s ARG 82 N -3.88 3.85 0.32 3.23 1.81 -1.26 -3.21 118.95 119.81 2yub s ARG 82 Ca 0.50 0.31 0.08 0.00 -1.72 0.00 0.00 55.73 54.90 2yub s ARG 82 Cb -0.10 -2.89 0.80 0.00 -0.45 0.00 0.00 34.95 32.31 2yub s ARG 82 CO 0.49 0.47 1.79 0.28 -0.68 0.00 0.00 175.30 177.65 2yub h VAL 83 N 2.61 0.71 0.00 3.52 2.07 -1.89 0.16 116.25 123.43 2yub h VAL 83 Ca -0.48 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 66.61 2yub h VAL 83 Cb 1.19 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2yub h VAL 83 CO 0.67 0.13 -0.86 1.05 0.02 0.00 0.00 177.57 178.58 2yub h GLU 84 N 0.71 0.04 0.08 1.57 9.09 -1.93 -3.21 114.58 120.93 2yub h GLU 84 Ca 0.56 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 59.92 2yub h GLU 84 Cb 0.94 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 2yub h GLU 84 CO -0.34 0.87 -0.04 0.93 0.05 0.00 0.00 179.01 180.49 2yub h GLU 85 N 0.02 -0.10 -0.98 1.06 4.39 -1.11 0.15 114.58 118.00 2yub h GLU 85 Ca -0.02 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.80 2yub h GLU 85 Cb 1.51 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 30.10 2yub h GLU 85 CO 0.12 0.12 0.62 0.28 -1.16 0.00 0.00 179.01 178.98 2yub h VAL 86 N -0.32 0.95 -0.01 3.13 2.07 -1.31 0.60 116.25 121.35 2yub h VAL 86 Ca -0.01 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2yub h VAL 86 Cb 0.27 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2yub h VAL 86 CO 0.02 0.18 -0.04 -0.33 0.02 0.00 0.00 177.57 177.42 2yub h GLU 87 N 1.00 0.05 0.01 1.57 4.39 -1.52 -3.32 114.58 116.77 2yub h GLU 87 Ca 0.47 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.17 2yub h GLU 87 Cb 0.42 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 2yub h GLU 87 CO -0.25 0.65 -0.24 -0.44 -1.16 0.00 0.00 179.01 177.57 2yub h ASP 88 N -0.54 -0.72 -0.77 1.42 5.19 -0.26 -2.62 116.42 118.12 2yub h ASP 88 Ca -0.00 0.10 0.12 0.00 -0.62 0.00 0.00 57.03 56.63 2yub h ASP 88 Cb 0.65 0.29 -0.13 0.00 0.18 0.00 0.00 39.33 40.33 2yub h ASP 88 CO 0.01 -0.31 -0.29 0.00 -3.12 0.00 0.00 179.24 175.52 2yub n ALA 89 N -2.64 -0.07 -0.12 3.45 0.00 0.16 0.12 120.51 121.42 2yub n ALA 89 Ca -0.05 0.78 -0.05 0.00 0.00 0.00 0.00 53.44 54.11 2yub n ALA 89 Cb 0.28 -0.36 0.03 0.00 0.00 0.00 0.00 19.45 19.40 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 0.87 0.00 0.00 1.08 -1.56 -0.96 117.51 116.93 2yub h ILE 90 Ca 0.28 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 64.61 2yub h ILE 90 Cb 0.47 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 2yub h ILE 90 CO -0.77 0.05 -0.19 0.11 -0.69 0.00 0.00 178.15 176.66 2yub h LYS 91 N 0.28 0.00 -4.01 2.37 1.57 0.11 -3.33 116.57 113.56 2yub h LYS 91 Ca 0.18 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.39 2yub h LYS 91 Cb 0.18 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.51 2yub h LYS 91 CO -0.20 0.19 2.58 1.04 -0.57 0.00 0.00 179.45 182.50 2yub n GLN 92 N -3.96 1.96 -2.14 3.15 1.13 0.12 -4.74 117.38 112.90 2yub n GLN 92 Ca -0.02 -1.83 -0.42 0.00 -1.94 0.00 0.00 57.00 52.79 2yub n GLN 92 Cb 0.28 -2.81 0.00 0.00 0.11 0.00 0.00 30.24 27.82 2yub n GLN 92 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2yub n THR 93 N 5.19 4.44 -0.06 5.09 -2.24 -1.25 -4.48 114.28 120.96 2yub n THR 93 Ca 0.50 -4.14 -0.13 0.00 -2.27 0.00 0.00 64.05 58.00 2yub n THR 93 Cb 0.31 -2.34 -0.04 0.00 -2.10 0.00 0.00 70.33 66.15 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 3.62 1.32 0.00 3.42 2.88 -1.26 -4.01 113.62 119.59 2yub n SER 94 Ca 0.48 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2yub n SER 94 Cb 0.33 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 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 -3.86 3.77 -2.43 -1.46 6.02 -1.26 -4.48 117.38 113.68 2yub n GLN 95 Ca -0.24 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.33 2yub n GLN 95 Cb 0.58 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.81 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 1.63 4.05 -0.30 5.09 -4.23 -1.26 -1.88 115.64 118.74 2yub s THR 96 Ca 0.00 1.47 -0.08 0.00 -1.18 0.00 0.00 61.69 61.90 2yub s THR 96 Cb 0.00 -3.94 -0.00 0.00 1.34 0.00 0.00 72.50 69.90 2yub s THR 96 CO 0.00 0.11 0.11 -0.22 -0.54 0.00 0.00 174.62 174.08 2yub s LEU 97 N 1.08 3.94 0.20 4.79 2.96 0.48 -4.95 118.68 127.18 2yub s LEU 97 Ca 0.59 -0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 2yub s LEU 97 Cb -0.29 -1.94 -0.07 0.00 0.50 0.00 0.00 46.19 44.39 2yub s LEU 97 CO 0.29 -0.18 0.51 -1.58 -1.32 0.00 0.00 176.35 174.07 2yub s GLN 98 N 1.56 3.80 -0.03 1.98 0.74 -1.26 -3.01 119.66 123.44 2yub s GLN 98 Ca 0.04 0.24 -0.05 0.00 0.05 0.00 0.00 55.36 55.64 2yub s GLN 98 Cb -0.17 -2.74 0.01 0.00 1.10 0.00 0.00 33.01 31.21 2yub s GLN 98 CO 0.04 0.38 0.11 -0.51 -0.55 0.00 0.00 175.29 174.76 2yub s LEU 99 N -2.62 1.60 -0.24 3.68 1.43 -0.62 -0.93 118.68 120.98 2yub s LEU 99 Ca 0.44 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 2yub s LEU 99 Cb -0.12 0.46 0.04 0.00 0.03 0.00 0.00 46.19 46.60 2yub s LEU 99 CO 0.21 -0.16 -0.10 -0.22 0.23 0.00 0.00 176.35 176.31 2yub s LEU 100 N -0.49 3.08 -0.08 1.79 2.96 -1.11 -0.99 118.68 123.84 2yub s LEU 100 Ca -0.06 -1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 52.82 2yub s LEU 100 Cb -0.04 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2yub s LEU 100 CO 0.00 -0.13 0.03 -0.63 -1.32 0.00 0.00 176.35 174.31 2yub s ILE 101 N 1.24 4.56 -0.21 6.68 -1.09 -0.23 -1.57 121.20 130.59 2yub s ILE 101 Ca -0.02 -0.20 -0.13 0.00 -2.23 0.00 0.00 60.65 58.07 2yub s ILE 101 Cb -0.17 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 2yub s ILE 101 CO -0.06 0.57 0.27 -0.70 -1.23 0.00 0.00 174.94 173.79 2yub s GLU 102 N -1.04 4.15 -0.13 2.79 -6.30 -1.21 -1.39 118.70 115.57 2yub s GLU 102 Ca 0.15 -0.02 -0.01 0.00 -2.50 0.00 0.00 54.97 52.59 2yub s GLU 102 Cb -0.12 -3.51 -0.02 0.00 0.00 0.00 0.00 34.13 30.48 2yub s GLU 102 CO 0.04 0.06 -0.12 -1.58 0.02 0.00 0.00 175.26 173.69 2yub s HIS 103 N 1.03 2.84 0.04 5.30 2.46 0.09 -4.76 115.29 122.29 2yub s HIS 103 Ca 0.14 -0.56 0.06 0.00 0.47 0.00 0.00 55.06 55.17 2yub s HIS 103 Cb -0.14 -1.85 -0.02 0.00 -0.13 0.00 0.00 32.58 30.44 2yub s HIS 103 CO 0.05 -0.16 -0.17 0.16 -2.47 0.00 0.00 174.74 172.16 2yub s ASP 104 N 0.29 1.98 -0.00 9.88 -4.77 -1.26 -2.42 116.67 120.36 2yub s ASP 104 Ca -0.09 -0.48 -0.24 0.00 -3.30 0.00 0.00 52.55 48.44 2yub s ASP 104 Cb -0.15 -0.15 -0.19 0.00 -1.09 0.00 0.00 42.92 41.34 2yub s ASP 104 CO 0.05 0.09 1.29 1.55 0.70 0.00 0.00 175.17 178.85 2yub h PRO 105 N 4.93 0.11 -4.12 2.11 0.13 -1.93 -3.46 132.00 129.77 2yub h PRO 105 Ca -0.40 -0.06 -0.44 0.00 -0.87 0.00 0.00 66.00 64.23 2yub h PRO 105 Cb 1.17 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.39 2yub h PRO 105 CO 0.44 0.57 -0.50 1.55 -0.23 0.00 0.00 178.00 179.82 2yub n VAL 106 N -4.76 0.92 -1.56 1.56 3.14 -1.26 -4.87 118.33 111.50 2yub n VAL 106 Ca -0.08 -0.34 -0.32 0.00 -2.96 0.00 0.00 64.34 60.64 2yub n VAL 106 Cb 0.28 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.13 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 2.58 -1.17 1.45 0.04 -1.26 -4.97 135.00 130.99 2yub s PRO 107 Ca 0.42 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.68 2yub s PRO 107 Cb -0.54 -1.93 0.24 0.00 0.04 0.00 0.00 34.50 32.31 2yub s PRO 107 CO 0.41 -1.41 1.45 1.04 0.04 0.00 0.00 177.00 178.53 2yub n GLN 108 N -2.86 3.76 -0.67 4.56 6.02 -1.26 -5.01 117.38 121.92 2yub n GLN 108 Ca 0.10 -4.14 -0.11 0.00 -0.01 0.00 0.00 57.00 52.83 2yub n GLN 108 Cb 0.52 -2.74 0.08 0.00 1.02 0.00 0.00 30.24 29.13 2yub n GLN 108 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2yub n ARG 109 N 3.30 -0.71 -3.25 -1.09 1.85 -1.26 -4.67 116.66 110.84 2yub n ARG 109 Ca 0.31 -0.76 -0.12 0.00 -1.00 0.00 0.00 57.85 56.28 2yub n ARG 109 Cb 0.38 -0.54 0.01 0.00 -1.05 0.00 0.00 32.46 31.26 2yub n ARG 109 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2yub n LEU 110 N 0.00 -5.37 -3.87 2.89 4.77 -1.26 -5.03 117.00 109.13 2yub n LEU 110 Ca 0.06 -0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 2yub n LEU 110 Cb 0.22 -2.74 -0.14 0.00 -2.33 0.00 0.00 43.42 38.43 2yub n LEU 110 CO 0.16 -0.89 -0.36 -1.81 -1.33 0.00 0.00 177.39 173.15 2yub s ASP 111 N -2.75 0.05 0.12 -1.43 1.11 -1.26 -5.05 116.67 107.46 2yub s ASP 111 Ca 0.09 -0.01 0.00 0.00 0.18 0.00 0.00 52.55 52.82 2yub s ASP 111 Cb -0.02 -0.01 0.00 0.00 1.07 0.00 0.00 42.92 43.96 2yub s ASP 111 CO 0.80 -0.00 0.00 0.00 1.18 0.00 0.00 175.17 177.15 2yub n GLN 112 N 3.12 0.00 -2.78 8.23 1.13 -1.26 -5.02 117.38 120.80 2yub n GLN 112 Ca -0.13 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.51 2yub n GLN 112 Cb 0.59 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.91 2yub n GLN 112 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2yub s SER 113 N -4.15 6.22 0.00 1.08 1.04 -1.26 -4.26 113.70 112.37 2yub s SER 113 Ca 0.00 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.74 2yub s SER 113 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2yub s SER 113 CO 0.00 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.35 2yub n GLY 114 N 5.28 0.80 3.66 7.32 0.00 -1.26 -5.05 105.19 115.94 2yub n GLY 114 Ca -0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2yub n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yub s PRO 115 N -1.70 4.20 0.35 1.61 0.04 -1.26 -4.98 135.00 133.27 2yub s PRO 115 Ca 0.00 2.01 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 2yub s PRO 115 Cb 0.00 -3.90 0.02 0.00 0.04 0.00 0.00 34.50 30.66 2yub s PRO 115 CO 0.00 -0.79 0.56 0.43 0.04 0.00 0.00 177.00 177.24 2yub n SER 116 N 6.91 -1.60 -3.60 6.66 7.64 -1.26 -5.17 113.62 123.20 2yub n SER 116 Ca 0.16 -2.71 -0.08 0.00 1.01 0.00 0.00 58.87 57.25 2yub n SER 116 Cb 0.43 2.84 -0.05 0.00 -1.01 0.00 0.00 64.21 66.42 2yub n SER 116 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yub s SER 117 N -3.04 -0.28 0.00 6.43 0.15 -1.26 -5.09 113.70 110.61 2yub s SER 117 Ca 0.24 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2yub s SER 117 Cb -0.02 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2yub s SER 117 CO 0.17 -0.22 0.17 0.61 1.20 0.00 0.00 173.24 175.16