#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yub s SER 2 N 0.00 0.43 0.32 1.61 0.01 -1.26 -5.18 113.70 109.63 2yub s SER 2 Ca 0.00 -1.06 0.04 0.00 1.31 0.00 0.00 55.95 56.24 2yub s SER 2 Cb 0.00 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.50 2yub s SER 2 CO 0.00 -0.64 0.34 -0.24 0.41 0.00 0.00 173.24 173.10 2yub n SER 3 N 0.04 1.62 -3.23 2.44 2.88 -1.26 -5.15 113.62 110.96 2yub n SER 3 Ca -0.11 -1.98 -0.17 0.00 -1.33 0.00 0.00 58.87 55.28 2yub n SER 3 Cb 0.62 -0.13 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 2yub n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yub n GLY 4 N 1.12 3.76 0.14 0.46 0.00 -1.26 -5.04 105.19 104.37 2yub n GLY 4 Ca 0.04 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 43.88 2yub n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yub h SER 5 N 0.76 0.00 -4.27 1.61 0.02 -2.07 -3.46 113.55 106.14 2yub h SER 5 Ca -0.21 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.42 2yub h SER 5 Cb 0.70 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.07 2yub h SER 5 CO 0.35 0.53 -0.73 -0.44 -1.14 0.00 0.00 176.83 175.40 2yub s SER 6 N -6.48 1.55 -0.06 3.07 0.01 -1.26 -5.01 113.70 105.53 2yub s SER 6 Ca 0.03 -0.88 -0.00 0.00 1.31 0.00 0.00 55.95 56.41 2yub s SER 6 Cb 0.09 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2yub s SER 6 CO 0.74 -0.29 0.01 0.61 0.41 0.00 0.00 173.24 174.72 2yub n GLY 7 N 0.32 -3.14 0.18 3.44 0.00 -1.26 -5.01 105.19 99.72 2yub n GLY 7 Ca -0.14 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 0.16 0.00 -3.34 1.61 0.24 -1.26 -4.74 118.33 111.00 2yub n VAL 8 Ca -0.01 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2yub n VAL 8 Cb 0.02 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 2yub n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yub n GLN 9 N -0.26 0.00 -3.38 7.34 1.13 -1.26 -4.94 117.38 116.02 2yub n GLN 9 Ca 0.03 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.11 2yub n GLN 9 Cb 0.16 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.47 2yub n GLN 9 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2yub s ASP 10 N -4.00 -0.42 -0.30 1.08 -1.08 -1.26 -5.15 116.67 105.54 2yub s ASP 10 Ca 0.00 0.59 -0.06 0.00 -0.52 0.00 0.00 52.55 52.56 2yub s ASP 10 Cb 0.00 1.44 0.18 0.00 -1.46 0.00 0.00 42.92 43.08 2yub s ASP 10 CO 0.00 -0.08 0.75 -1.58 0.52 0.00 0.00 175.17 174.78 2yub s GLN 11 N 2.19 0.44 0.38 4.34 -0.44 -1.26 -5.16 119.66 120.15 2yub s GLN 11 Ca -0.03 0.81 -0.13 0.00 -2.50 0.00 0.00 55.36 53.52 2yub s GLN 11 Cb -0.04 0.46 -0.08 0.00 -1.64 0.00 0.00 33.01 31.71 2yub s GLN 11 CO -0.17 -0.45 0.78 -0.51 0.50 0.00 0.00 175.29 175.44 2yub s LEU 12 N 2.88 3.91 0.29 3.68 1.43 -1.26 -5.04 118.68 124.57 2yub s LEU 12 Ca 0.12 1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 54.17 2yub s LEU 12 Cb -0.13 -4.09 -0.10 0.00 0.03 0.00 0.00 46.19 41.90 2yub s LEU 12 CO -0.18 -0.33 1.24 -2.16 0.23 0.00 0.00 176.35 175.15 2yub s PRO 13 N -3.49 4.45 0.00 1.29 0.04 -1.26 -5.00 135.00 131.03 2yub s PRO 13 Ca 0.53 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2yub s PRO 13 Cb -0.10 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2yub s PRO 13 CO 0.25 -0.07 0.00 2.48 0.04 0.00 0.00 177.00 179.70 2yub n TYR 14 N 1.23 0.00 -4.12 0.56 0.18 -1.26 -4.89 117.16 108.87 2yub n TYR 14 Ca 0.01 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 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 -2.74 0.96 0.05 9.48 0.01 -1.13 -5.08 113.70 115.25 2yub s SER 15 Ca 0.00 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 56.44 2yub s SER 15 Cb 0.00 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 2yub s SER 15 CO 0.00 -0.37 -0.03 0.68 0.41 0.00 0.00 173.24 173.92 2yub s VAL 16 N -2.74 0.24 -0.12 3.43 -7.23 -1.26 -2.27 120.40 110.45 2yub s VAL 16 Ca 0.03 -1.57 -0.09 0.00 -1.81 0.00 0.00 61.98 58.53 2yub s VAL 16 Cb -0.01 -1.19 0.04 0.00 0.56 0.00 0.00 36.38 35.78 2yub s VAL 16 CO -0.03 -0.84 0.30 -0.89 -0.31 0.00 0.00 175.10 173.33 2yub s THR 17 N -3.19 -0.01 0.03 5.32 2.01 -0.74 -4.94 115.64 114.11 2yub s THR 17 Ca 0.01 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.14 2yub s THR 17 Cb 0.03 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 2yub s THR 17 CO -0.07 0.02 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.41 2yub s LEU 18 N 0.54 2.14 0.05 4.42 2.96 -1.26 -1.28 118.68 126.25 2yub s LEU 18 Ca -0.03 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.42 2yub s LEU 18 Cb -0.05 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 2yub s LEU 18 CO -0.03 0.24 -0.21 0.27 -1.32 0.00 0.00 176.35 175.30 2yub s ILE 19 N -0.75 1.67 -0.24 6.68 -4.36 -0.57 -4.99 121.20 118.64 2yub s ILE 19 Ca 0.10 -1.22 -0.04 0.00 -0.26 0.00 0.00 60.65 59.23 2yub s ILE 19 Cb -0.09 -1.46 0.08 0.00 1.25 0.00 0.00 42.46 42.24 2yub s ILE 19 CO 0.01 0.19 0.10 -0.94 0.24 0.00 0.00 174.94 174.54 2yub s SER 20 N -1.23 3.18 0.06 4.36 1.04 -1.26 -1.61 113.70 118.24 2yub s SER 20 Ca 0.07 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 55.51 2yub s SER 20 Cb -0.09 -0.43 -0.03 0.00 0.10 0.00 0.00 66.02 65.58 2yub s SER 20 CO 0.02 -0.39 -0.21 -0.04 0.98 0.00 0.00 173.24 173.59 2yub s MET 21 N 2.01 1.34 1.03 4.02 -1.94 -1.17 -4.98 119.30 119.61 2yub s MET 21 Ca 0.06 -1.03 -0.13 0.00 -1.71 0.00 0.00 55.69 52.88 2yub s MET 21 Cb -0.16 -1.52 0.20 0.00 2.01 0.00 0.00 34.83 35.37 2yub s MET 21 CO -0.23 0.38 1.09 -1.25 -0.01 0.00 0.00 175.02 175.00 2yub s PRO 22 N -1.42 0.18 0.61 2.03 0.04 -1.26 -0.49 135.00 134.68 2yub s PRO 22 Ca 0.08 0.44 -0.10 0.00 0.04 0.00 0.00 61.00 61.46 2yub s PRO 22 Cb -0.09 -1.71 0.14 0.00 0.04 0.00 0.00 34.50 32.88 2yub s PRO 22 CO 0.03 -2.88 0.73 0.00 0.04 0.00 0.00 177.00 174.92 2yub n ALA 23 N -4.27 -1.19 -3.71 8.56 0.00 -1.12 -4.66 120.51 114.13 2yub n ALA 23 Ca 0.06 -0.99 -0.21 0.00 0.00 0.00 0.00 53.44 52.30 2yub n ALA 23 Cb 0.58 -0.05 -0.17 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.54 0.34 0.38 0.00 -4.23 -1.25 -4.93 115.64 103.41 2yub s THR 24 Ca 0.43 0.07 0.20 0.00 -1.18 0.00 0.00 61.69 61.22 2yub s THR 24 Cb -0.02 -0.45 0.39 0.00 1.34 0.00 0.00 72.50 73.76 2yub s THR 24 CO 0.31 0.22 1.66 0.71 -0.54 0.00 0.00 174.62 176.97 2yub h THR 25 N 6.27 0.25 -2.60 3.99 1.35 -1.93 -3.41 112.91 116.82 2yub h THR 25 Ca -0.29 -0.08 -0.27 0.00 -0.55 0.00 0.00 66.41 65.21 2yub h THR 25 Cb 1.13 -0.00 0.15 0.00 -1.73 0.00 0.00 68.15 67.70 2yub h THR 25 CO 0.36 0.04 -0.03 1.21 -0.25 0.00 0.00 175.52 176.85 2yub n GLU 26 N -4.90 -3.41 -0.14 4.72 4.07 -1.26 -4.95 120.64 114.77 2yub n GLU 26 Ca 0.33 -1.15 0.11 0.00 -0.06 0.00 0.00 57.16 56.39 2yub n GLU 26 Cb 1.14 -1.29 0.18 0.00 -0.06 0.00 0.00 31.44 31.41 2yub n GLU 26 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2yub s ARG 28 N -1.51 2.58 0.00 0.00 0.52 -1.26 -4.97 118.95 114.31 2yub s ARG 28 Ca 0.34 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 2yub s ARG 28 Cb 0.21 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.33 2yub s ARG 28 CO 0.29 0.12 0.00 -2.13 0.02 0.00 0.00 175.30 173.60 2yub n ARG 29 N -1.26 1.57 0.00 3.54 3.00 -1.26 -4.76 116.66 117.48 2yub n ARG 29 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2yub n ARG 29 Cb 0.60 -0.88 0.00 0.00 0.00 0.00 0.00 32.46 32.18 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 2.14 3.02 3.26 5.14 0.00 -1.26 -4.46 105.19 113.03 2yub n GLY 30 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.65 1.98 0.26 1.61 -0.71 -1.26 -2.76 117.98 115.44 2yub s PHE 31 Ca 0.00 -0.38 0.09 0.00 -1.04 0.00 0.00 56.93 55.60 2yub s PHE 31 Cb 0.00 -1.23 -0.04 0.00 -1.21 0.00 0.00 43.02 40.54 2yub s PHE 31 CO 0.00 0.04 0.04 -1.12 -1.34 0.00 0.00 175.22 172.83 2yub s SER 32 N -0.87 4.76 0.02 1.98 0.01 -1.09 -5.01 113.70 113.49 2yub s SER 32 Ca 0.09 -0.55 0.07 0.00 1.31 0.00 0.00 55.95 56.86 2yub s SER 32 Cb -0.09 -0.97 -0.02 0.00 0.21 0.00 0.00 66.02 65.15 2yub s SER 32 CO 0.01 -0.00 -0.20 0.68 0.41 0.00 0.00 173.24 174.14 2yub s VAL 33 N -2.25 1.56 -0.20 3.43 -7.23 -1.26 -2.75 120.40 111.70 2yub s VAL 33 Ca 0.31 -1.03 -0.06 0.00 -1.81 0.00 0.00 61.98 59.39 2yub s VAL 33 Cb -0.07 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 2yub s VAL 33 CO 0.21 0.28 0.04 -0.89 -0.31 0.00 0.00 175.10 174.42 2yub s THR 34 N -0.66 4.38 -0.10 5.32 2.01 -0.49 -4.92 115.64 121.18 2yub s THR 34 Ca 0.07 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 2yub s THR 34 Cb -0.08 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 2yub s THR 34 CO 0.01 0.43 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.66 2yub s VAL 35 N 0.82 4.19 -0.25 3.82 1.01 -1.26 -2.33 120.40 126.39 2yub s VAL 35 Ca 0.02 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2yub s VAL 35 Cb -0.14 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.53 2yub s VAL 35 CO 0.02 0.58 -0.09 -1.61 0.00 0.00 0.00 175.10 174.00 2yub s GLU 36 N -0.60 2.03 -0.21 2.72 0.41 -0.99 -5.01 118.70 117.05 2yub s GLU 36 Ca 0.10 -1.23 -0.08 0.00 -0.41 0.00 0.00 54.97 53.35 2yub s GLU 36 Cb -0.12 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 2yub s GLU 36 CO 0.02 -0.58 0.08 -1.54 -0.49 0.00 0.00 175.26 172.75 2yub s SER 37 N 1.20 5.53 -0.03 -0.19 1.04 -1.26 -2.42 113.70 117.57 2yub s SER 37 Ca -0.08 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.35 2yub s SER 37 Cb -0.20 -1.97 0.01 0.00 0.10 0.00 0.00 66.02 63.97 2yub s SER 37 CO -0.05 0.08 -0.04 0.00 0.98 0.00 0.00 173.24 174.21 2yub s ALA 38 N 0.91 0.54 -0.27 5.32 0.00 -1.26 -4.76 121.76 122.24 2yub s ALA 38 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2yub s ALA 38 Cb -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2yub s ALA 38 CO 0.03 0.02 0.00 0.45 0.00 0.00 0.00 175.76 176.26 2yub n SER 39 N 3.70 -4.07 0.00 0.00 2.88 -1.26 -4.90 113.62 109.97 2yub n SER 39 Ca -0.22 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2yub n SER 39 Cb 0.53 -1.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 2yub n SER 39 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yub n SER 40 N -0.02 0.00 -1.68 -3.46 3.41 -1.26 -5.02 113.62 105.60 2yub n SER 40 Ca -0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.44 2yub n SER 40 Cb 0.21 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.35 2yub n SER 40 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2yub n ASN 41 N 0.15 3.12 -4.60 4.04 2.85 -1.26 -4.82 115.26 114.74 2yub n ASN 41 Ca 0.00 -3.71 -0.26 0.00 -0.11 0.00 0.00 54.58 50.49 2yub n ASN 41 Cb 0.00 -0.73 -0.10 0.00 1.24 0.00 0.00 39.78 40.19 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2yub s TYR 42 N -3.29 2.49 0.62 1.20 1.13 -1.26 -4.37 117.35 113.87 2yub s TYR 42 Ca 0.51 -0.55 -0.17 0.00 -1.41 0.00 0.00 57.07 55.45 2yub s TYR 42 Cb 0.44 -1.59 -0.02 0.00 -1.10 0.00 0.00 41.96 39.70 2yub s TYR 42 CO 0.05 0.48 1.13 0.00 -2.51 0.00 0.00 175.55 174.70 2yub s ALA 43 N -2.62 2.53 0.00 9.51 0.00 -1.15 -4.14 121.76 125.89 2yub s ALA 43 Ca 0.35 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2yub s ALA 43 Cb 0.04 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2yub s ALA 43 CO 0.18 -1.14 0.00 2.41 0.00 0.00 0.00 175.76 177.22 2yub n THR 44 N -2.00 0.00 -3.76 0.00 -1.04 -1.02 -4.55 114.28 101.92 2yub n THR 44 Ca 0.11 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.98 2yub n THR 44 Cb 0.51 -0.17 -0.15 0.00 -1.82 0.00 0.00 70.33 68.71 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2yub s THR 45 N -1.35 -0.05 0.08 12.58 2.01 -1.21 -4.66 115.64 123.03 2yub s THR 45 Ca 0.00 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.22 2yub s THR 45 Cb 0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 2yub s THR 45 CO 0.00 0.07 0.01 -0.69 -0.69 0.00 0.00 174.62 173.32 2yub s VAL 46 N 1.10 4.10 -0.05 3.82 1.01 -1.26 -2.33 120.40 126.79 2yub s VAL 46 Ca -0.09 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 2yub s VAL 46 Cb -0.11 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.34 2yub s VAL 46 CO -0.05 0.15 0.25 -1.10 0.00 0.00 0.00 175.10 174.35 2yub s GLN 47 N -2.23 0.47 -0.62 2.72 1.11 -0.98 -4.02 119.66 116.11 2yub s GLN 47 Ca 0.25 -0.01 -0.26 0.00 0.01 0.00 0.00 55.36 55.36 2yub s GLN 47 Cb -0.12 0.21 0.04 0.00 -1.01 0.00 0.00 33.01 32.13 2yub s GLN 47 CO 0.18 -0.10 1.10 0.08 0.01 0.00 0.00 175.29 176.55 2yub s VAL 48 N -0.72 4.11 0.00 1.09 1.01 -0.70 -1.39 120.40 123.80 2yub s VAL 48 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2yub s VAL 48 Cb -0.04 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.63 2yub s VAL 48 CO 0.02 -1.42 0.79 1.17 0.00 0.00 0.00 175.10 175.66 2yub n LYS 49 N 8.25 0.00 -4.06 2.72 4.81 -1.11 -3.25 118.16 125.51 2yub n LYS 49 Ca 0.03 0.50 -0.09 0.00 -0.87 0.00 0.00 58.31 57.88 2yub n LYS 49 Cb 0.48 -1.39 -0.10 0.00 0.02 0.00 0.00 35.03 34.03 2yub n LYS 49 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2yub s GLU 50 N -2.57 0.54 -0.05 1.64 -1.05 -1.26 -4.79 118.70 111.17 2yub s GLU 50 Ca 0.00 -1.00 -0.00 0.00 -0.15 0.00 0.00 54.97 53.82 2yub s GLU 50 Cb 0.00 0.07 0.03 0.00 -0.44 0.00 0.00 34.13 33.78 2yub s GLU 50 CO 0.00 -0.06 -0.00 0.08 0.95 0.00 0.00 175.26 176.23 2yub s VAL 51 N -2.84 0.31 -0.15 1.83 1.01 -1.26 -2.67 120.40 116.62 2yub s VAL 51 Ca -0.01 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 2yub s VAL 51 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2yub s VAL 51 CO -0.05 0.21 0.04 0.20 0.00 0.00 0.00 175.10 175.49 2yub s ASN 52 N 1.46 5.44 0.01 3.32 0.01 -1.11 -4.97 114.94 119.09 2yub s ASN 52 Ca -0.03 0.08 -0.03 0.00 -0.71 0.00 0.00 52.86 52.17 2yub s ASN 52 Cb -0.13 -1.84 -0.28 0.00 0.41 0.00 0.00 41.25 39.41 2yub s ASN 52 CO -0.03 0.23 0.88 0.03 -1.51 0.00 0.00 177.10 176.71 2yub h ARG 53 N 6.27 0.25 0.00 -0.60 -0.00 -1.91 -2.24 114.38 116.14 2yub h ARG 53 Ca -0.40 -0.42 0.00 0.00 -0.50 0.00 0.00 59.98 58.66 2yub h ARG 53 Cb 1.18 0.16 0.00 0.00 0.00 0.00 0.00 29.97 31.31 2yub h ARG 53 CO 0.65 1.12 0.00 -1.33 0.00 0.00 0.00 179.97 180.41 2yub n MET 54 N -3.45 0.13 -0.04 0.04 2.81 -1.26 -2.43 117.12 112.91 2yub n MET 54 Ca -0.16 0.20 -0.07 0.00 -1.81 0.00 0.00 57.70 55.86 2yub n MET 54 Cb 1.04 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 32.02 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 -1.29 0.00 0.00 2.03 8.25 -1.23 -4.92 115.22 118.06 2yub n HIS 55 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2yub n HIS 55 Cb 0.08 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.89 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 -3.05 0.00 0.00 1.59 5.41 -0.84 -4.90 119.36 117.56 2yub n ILE 56 Ca -0.15 0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2yub n ILE 56 Cb 0.63 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 2yub n ILE 56 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2yub n SER 57 N -0.40 0.00 0.00 4.38 7.64 -1.02 -4.94 113.62 119.27 2yub n SER 57 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 2yub n SER 57 Cb 0.00 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 63.65 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 -0.91 0.46 -0.05 1.43 -0.04 -1.26 -1.27 135.00 133.36 2yub n PRO 58 Ca 0.00 0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.42 2yub n PRO 58 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2yub n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2yub n ASN 59 N -1.04 1.51 0.21 3.54 5.15 -1.26 -4.41 115.26 118.96 2yub n ASN 59 Ca 0.11 0.25 0.15 0.00 -0.60 0.00 0.00 54.58 54.49 2yub n ASN 59 Cb 0.06 -0.62 0.63 0.00 -0.53 0.00 0.00 39.78 39.32 2yub n ASN 59 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 2yub h ASN 60 N -0.68 0.00 0.26 1.20 4.21 -1.92 -2.66 115.58 115.98 2yub h ASN 60 Ca 0.00 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.38 2yub h ASN 60 Cb 0.68 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2yub h ASN 60 CO 0.00 0.00 -0.50 -0.09 -1.29 0.00 0.00 177.43 175.55 2yub h ARG 61 N 0.00 0.28 0.00 0.81 1.12 -1.43 -2.51 114.38 112.65 2yub h ARG 61 Ca 0.00 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.71 2yub h ARG 61 Cb 0.40 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.37 2yub h ARG 61 CO 0.00 0.72 0.00 -1.71 -3.11 0.00 0.00 179.97 175.87 2yub n ASN 62 N -3.96 0.00 -0.12 -3.80 2.85 -1.00 -2.60 115.26 106.63 2yub n ASN 62 Ca -0.02 0.44 -0.16 0.00 -0.11 0.00 0.00 54.58 54.73 2yub n ASN 62 Cb 0.55 -0.47 -0.13 0.00 1.24 0.00 0.00 39.78 40.97 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yub n ALA 63 N -1.47 1.44 -2.28 5.20 0.00 -0.97 -4.99 120.51 117.44 2yub n ALA 63 Ca 0.04 -1.15 -0.20 0.00 0.00 0.00 0.00 53.44 52.12 2yub n ALA 63 Cb 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.51 3.67 -0.28 0.00 2.07 -1.06 -5.02 121.20 118.07 2yub s ILE 64 Ca -0.28 -0.78 -0.27 0.00 -1.41 0.00 0.00 60.65 57.91 2yub s ILE 64 Cb 0.08 -3.31 0.18 0.00 0.13 0.00 0.00 42.46 39.54 2yub s ILE 64 CO 0.66 -0.17 1.33 -1.38 -1.91 0.00 0.00 174.94 173.48 2yub s HIS 65 N -2.42 -0.11 -0.31 3.50 -3.43 -1.26 -4.85 115.29 106.42 2yub s HIS 65 Ca 0.49 0.22 -0.29 0.00 -0.80 0.00 0.00 55.06 54.69 2yub s HIS 65 Cb -0.10 0.48 -0.02 0.00 -1.43 0.00 0.00 32.58 31.51 2yub s HIS 65 CO 0.35 -0.08 1.67 -1.25 -2.00 0.00 0.00 174.74 173.43 2yub s PRO 66 N -0.52 3.54 0.00 -0.38 0.04 -1.26 -3.48 135.00 132.93 2yub s PRO 66 Ca 0.07 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2yub s PRO 66 Cb -0.03 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2yub s PRO 66 CO -0.10 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.74 2yub n GLY 67 N 5.11 0.69 3.29 0.56 0.00 -1.20 -5.05 105.19 108.58 2yub n GLY 67 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 0.61 -3.53 1.61 9.92 -1.23 -4.86 116.55 119.07 2yub n ASP 68 Ca 0.00 -1.68 -0.29 0.00 -0.53 0.00 0.00 54.79 52.29 2yub n ASP 68 Cb 0.00 -0.71 -0.13 0.00 -0.64 0.00 0.00 41.12 39.64 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 -5.09 0.58 0.19 -1.24 1.70 -1.26 -1.72 118.95 112.10 2yub s ARG 69 Ca 0.60 -1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.34 2yub s ARG 69 Cb -0.02 -1.45 -0.17 0.00 -0.57 0.00 0.00 34.95 32.74 2yub s ARG 69 CO 0.41 -1.15 0.76 -0.89 -1.08 0.00 0.00 175.30 173.36 2yub n ILE 70 N 4.30 1.65 -0.03 4.99 -0.00 -1.26 -4.75 119.36 124.25 2yub n ILE 70 Ca 0.07 -0.41 0.04 0.00 -0.00 0.00 0.00 62.75 62.44 2yub n ILE 70 Cb 0.38 -0.31 -0.15 0.00 -0.00 0.00 0.00 39.64 39.56 2yub n ILE 70 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2yub n LEU 71 N 1.78 0.00 -3.70 1.39 -0.00 -1.20 -4.45 117.00 110.81 2yub n LEU 71 Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.05 2yub n LEU 71 Cb 0.25 0.14 -0.07 0.00 -0.00 0.00 0.00 43.42 43.74 2yub n LEU 71 CO 0.58 0.14 0.10 -1.61 -0.00 0.00 0.00 177.39 176.60 2yub s GLU 72 N -3.07 0.85 -0.06 1.47 2.02 -1.26 -2.80 118.70 115.85 2yub s GLU 72 Ca -0.08 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.54 2yub s GLU 72 Cb 0.10 0.38 0.02 0.00 0.10 0.00 0.00 34.13 34.73 2yub s GLU 72 CO 0.80 -0.28 -0.04 0.42 0.02 0.00 0.00 175.26 176.17 2yub s ILE 73 N -2.33 0.62 -0.02 -1.63 1.01 -0.34 -2.75 121.20 115.75 2yub s ILE 73 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2yub s ILE 73 Cb -0.01 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2yub s ILE 73 CO -0.02 0.26 0.00 0.59 0.00 0.00 0.00 174.94 175.78 2yub n ASN 74 N 4.41 -5.61 -0.03 3.58 3.02 -0.82 -1.83 115.26 117.99 2yub n ASN 74 Ca -0.19 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2yub n ASN 74 Cb 0.51 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 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 0.47 1.45 2.97 7.41 0.00 -1.26 -4.88 105.19 111.34 2yub n GLY 75 Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.06 0.20 -0.03 2.61 -4.23 -0.76 -5.13 115.64 106.24 2yub s THR 76 Ca 0.00 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 59.57 2yub s THR 76 Cb 0.00 -0.28 -0.05 0.00 1.34 0.00 0.00 72.50 73.51 2yub s THR 76 CO 0.00 -0.29 1.47 -2.16 -0.54 0.00 0.00 174.62 173.11 2yub s PRO 77 N -0.98 4.24 0.43 3.99 0.04 -1.26 -1.20 135.00 140.27 2yub s PRO 77 Ca -0.09 2.02 0.23 0.00 0.04 0.00 0.00 61.00 63.21 2yub s PRO 77 Cb -0.07 -3.71 0.40 0.00 0.04 0.00 0.00 34.50 31.16 2yub s PRO 77 CO -0.00 -0.68 1.63 -0.39 0.04 0.00 0.00 177.00 177.60 2yub h VAL 78 N 5.15 0.00 0.00 -0.36 -1.51 -1.88 -2.34 116.25 115.31 2yub h VAL 78 Ca -0.37 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.14 2yub h VAL 78 Cb 1.17 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 32.29 2yub h VAL 78 CO 0.93 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 175.16 2yub n ARG 79 N -3.06 0.68 0.00 5.19 1.85 -1.26 -3.66 116.66 116.40 2yub n ARG 79 Ca 0.04 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2yub n ARG 79 Cb 0.52 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 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 -1.07 0.00 -0.72 8.89 -2.24 -1.18 -4.76 114.28 113.21 2yub n THR 80 Ca 0.17 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.62 2yub n THR 80 Cb 0.11 -0.41 0.15 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.29 -2.42 -4.92 3.22 4.77 -0.89 -4.75 117.00 109.73 2yub n LEU 81 Ca 0.00 -0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.57 2yub n LEU 81 Cb 0.39 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.55 2yub n LEU 81 CO 0.00 -3.01 -0.10 -0.13 -1.33 0.00 0.00 177.39 172.82 2yub s ARG 82 N -3.23 3.49 0.15 3.23 0.52 -1.26 -2.92 118.95 118.93 2yub s ARG 82 Ca 0.53 -0.35 -0.32 0.00 -0.52 0.00 0.00 55.73 55.07 2yub s ARG 82 Cb -0.08 -2.99 -0.08 0.00 0.52 0.00 0.00 34.95 32.32 2yub s ARG 82 CO 0.66 0.57 1.54 0.28 0.02 0.00 0.00 175.30 178.37 2yub h VAL 83 N 2.05 0.00 -0.67 3.52 2.07 -1.85 1.06 116.25 122.44 2yub h VAL 83 Ca -0.45 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.26 2yub h VAL 83 Cb 1.16 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2yub h VAL 83 CO 0.75 0.00 0.53 1.05 0.02 0.00 0.00 177.57 179.92 2yub h GLU 84 N -0.15 0.00 0.08 1.57 9.09 -1.95 -1.51 114.58 121.71 2yub h GLU 84 Ca 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.53 2yub h GLU 84 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 2yub h GLU 84 CO -0.81 0.00 -0.04 0.93 0.05 0.00 0.00 179.01 179.14 2yub h GLU 85 N 0.00 -0.11 -0.25 1.06 3.07 0.63 0.33 114.58 119.31 2yub h GLU 85 Ca 0.32 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.26 2yub h GLU 85 Cb 1.37 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.29 2yub h GLU 85 CO -0.00 0.41 0.32 0.28 -1.40 0.00 0.00 179.01 178.63 2yub h VAL 86 N -0.90 0.34 0.04 3.13 2.07 0.22 -0.47 116.25 120.69 2yub h VAL 86 Ca -0.01 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.22 2yub h VAL 86 Cb 0.57 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2yub h VAL 86 CO 0.02 0.00 -1.58 -0.62 0.02 0.00 0.00 177.57 175.41 2yub n GLU 87 N -3.61 0.63 -0.24 1.57 -0.58 -0.68 -4.22 120.64 113.51 2yub n GLU 87 Ca 0.03 0.46 0.01 0.00 -0.42 0.00 0.00 57.16 57.24 2yub n GLU 87 Cb 0.46 -1.72 0.13 0.00 -0.57 0.00 0.00 31.44 29.74 2yub n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2yub h ASP 88 N -0.66 0.45 -0.92 1.62 3.32 -0.18 -1.36 116.42 118.70 2yub h ASP 88 Ca -0.40 0.06 0.21 0.00 0.02 0.00 0.00 57.03 56.92 2yub h ASP 88 Cb 1.55 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 40.97 2yub h ASP 88 CO -0.13 0.26 0.46 0.00 -1.72 0.00 0.00 179.24 178.11 2yub h ALA 89 N 1.42 1.50 0.00 3.45 0.00 -1.30 0.49 119.26 124.82 2yub h ALA 89 Ca 0.34 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 2yub h ALA 89 Cb 0.35 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2yub h ALA 89 CO -0.26 -0.27 -0.57 0.82 0.00 0.00 0.00 179.25 178.97 2yub h ILE 90 N 0.50 1.37 0.01 0.00 1.08 -1.43 -3.03 117.51 116.00 2yub h ILE 90 Ca 0.56 -1.97 -0.19 0.00 -0.39 0.00 0.00 64.86 62.87 2yub h ILE 90 Cb 1.02 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 36.82 2yub h ILE 90 CO -0.48 0.56 -0.87 0.11 -0.69 0.00 0.00 178.15 176.77 2yub h LYS 91 N 0.00 0.09 -5.19 2.37 1.57 0.21 -3.42 116.57 112.20 2yub h LYS 91 Ca -0.01 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2yub h LYS 91 Cb 1.03 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 2yub h LYS 91 CO 0.07 0.90 0.11 1.04 -0.57 0.00 0.00 179.45 181.01 2yub n GLN 92 N -3.59 0.30 -2.94 3.15 6.02 0.86 -4.79 117.38 116.39 2yub n GLN 92 Ca -0.02 -1.20 -0.40 0.00 -0.01 0.00 0.00 57.00 55.37 2yub n GLN 92 Cb 0.81 -3.63 0.00 0.00 1.02 0.00 0.00 30.24 28.45 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 8.69 5.13 0.00 5.09 -2.24 -1.26 -4.48 114.28 125.20 2yub n THR 93 Ca 0.43 -5.86 0.00 0.00 -2.27 0.00 0.00 64.05 56.35 2yub n THR 93 Cb 0.44 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 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 0.78 1.51 -4.17 3.42 3.41 -1.26 -3.83 113.62 113.48 2yub n SER 94 Ca 0.33 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.66 2yub n SER 94 Cb 0.32 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.83 0.80 -1.93 4.33 6.02 -1.26 -4.60 117.38 118.91 2yub n GLN 95 Ca 0.00 -3.27 -0.41 0.00 -0.01 0.00 0.00 57.00 53.30 2yub n GLN 95 Cb 0.19 1.16 -0.02 0.00 1.02 0.00 0.00 30.24 32.59 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 -2.75 2.42 -0.20 5.09 2.01 -1.26 -2.79 115.64 118.16 2yub s THR 96 Ca 0.06 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.44 2yub s THR 96 Cb 0.00 -3.24 0.02 0.00 0.01 0.00 0.00 72.50 69.30 2yub s THR 96 CO 0.04 0.07 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.66 2yub s LEU 97 N -0.88 2.46 0.29 4.42 2.96 0.35 -4.93 118.68 123.35 2yub s LEU 97 Ca 0.58 -0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 53.66 2yub s LEU 97 Cb -0.44 -1.53 -0.07 0.00 0.50 0.00 0.00 46.19 44.66 2yub s LEU 97 CO 0.49 -0.04 0.61 -1.58 -1.32 0.00 0.00 176.35 174.51 2yub s GLN 98 N 1.29 3.76 -0.02 1.98 0.74 -1.26 -3.01 119.66 123.13 2yub s GLN 98 Ca 0.03 0.26 -0.00 0.00 0.05 0.00 0.00 55.36 55.69 2yub s GLN 98 Cb -0.14 -2.58 0.02 0.00 1.10 0.00 0.00 33.01 31.41 2yub s GLN 98 CO -0.10 0.20 0.04 -0.51 -0.55 0.00 0.00 175.29 174.37 2yub s LEU 99 N -3.27 1.24 -0.21 3.68 1.43 -0.63 -1.95 118.68 118.97 2yub s LEU 99 Ca 0.48 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.55 2yub s LEU 99 Cb -0.11 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.07 2yub s LEU 99 CO 0.26 -0.10 0.11 -0.22 0.23 0.00 0.00 176.35 176.63 2yub s LEU 100 N 0.83 3.97 -0.04 1.79 2.96 -1.11 -1.52 118.68 125.57 2yub s LEU 100 Ca -0.07 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2yub s LEU 100 Cb -0.10 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2yub s LEU 100 CO -0.03 0.12 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.30 2yub s ILE 101 N 0.73 1.57 0.26 6.68 -1.09 -0.40 -3.25 121.20 125.69 2yub s ILE 101 Ca 0.06 -0.81 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 2yub s ILE 101 Cb -0.13 -1.33 -0.05 0.00 -1.58 0.00 0.00 42.46 39.37 2yub s ILE 101 CO 0.02 0.45 0.52 -1.61 -1.23 0.00 0.00 174.94 173.08 2yub s GLU 102 N -0.10 3.63 -0.14 2.79 2.02 -1.26 -1.80 118.70 123.84 2yub s GLU 102 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 54.97 54.94 2yub s GLU 102 Cb -0.11 -2.68 0.04 0.00 0.10 0.00 0.00 34.13 31.47 2yub s GLU 102 CO 0.02 0.26 -0.02 -1.01 0.02 0.00 0.00 175.26 174.53 2yub s HIS 103 N -2.00 1.27 0.00 1.61 3.76 -0.96 -4.92 115.29 114.05 2yub s HIS 103 Ca 0.43 -0.76 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 2yub s HIS 103 Cb -0.11 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.43 2yub s HIS 103 CO 0.29 -0.53 0.14 -0.51 -0.85 0.00 0.00 174.74 173.28 2yub s ASP 104 N 1.78 6.08 0.05 1.40 1.11 -1.26 -2.82 116.67 123.01 2yub s ASP 104 Ca 0.02 0.25 -0.19 0.00 0.18 0.00 0.00 52.55 52.80 2yub s ASP 104 Cb -0.15 -1.84 -0.13 0.00 1.07 0.00 0.00 42.92 41.87 2yub s ASP 104 CO -0.07 0.25 1.36 1.55 1.18 0.00 0.00 175.17 179.44 2yub h PRO 105 N 3.82 0.42 -6.30 8.23 0.13 -1.99 -3.44 132.00 132.86 2yub h PRO 105 Ca -0.48 -0.22 -0.56 0.00 -0.87 0.00 0.00 66.00 63.86 2yub h PRO 105 Cb 1.18 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2yub h PRO 105 CO 0.67 0.78 -0.03 0.08 -0.23 0.00 0.00 178.00 179.28 2yub s VAL 106 N -4.31 4.75 -0.34 1.56 1.01 -1.26 -5.02 120.40 116.79 2yub s VAL 106 Ca -0.14 1.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 2yub s VAL 106 Cb 0.06 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2yub s VAL 106 CO 0.77 0.42 1.69 -2.16 0.00 0.00 0.00 175.10 175.82 2yub s PRO 107 N -1.46 3.43 -0.39 2.72 0.04 -1.26 -4.91 135.00 133.17 2yub s PRO 107 Ca 0.33 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 2yub s PRO 107 Cb -0.18 -4.14 -0.08 0.00 0.04 0.00 0.00 34.50 30.13 2yub s PRO 107 CO 0.19 -1.74 2.31 1.04 0.04 0.00 0.00 177.00 178.84 2yub n GLN 108 N 8.29 1.32 -1.42 4.56 3.00 -1.26 -4.89 117.38 126.99 2yub n GLN 108 Ca 0.21 0.27 -0.38 0.00 -0.01 0.00 0.00 57.00 57.09 2yub n GLN 108 Cb 0.47 -2.99 0.04 0.00 0.00 0.00 0.00 30.24 27.76 2yub n GLN 108 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2yub n ARG 109 N 8.68 0.45 -3.61 -1.09 1.85 -1.26 -4.95 116.66 116.73 2yub n ARG 109 Ca 0.37 0.18 -0.36 0.00 -1.00 0.00 0.00 57.85 57.04 2yub n ARG 109 Cb 0.39 -1.69 -0.08 0.00 -1.05 0.00 0.00 32.46 30.03 2yub n ARG 109 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2yub s LEU 110 N 0.81 4.17 -0.87 2.89 1.43 -1.26 -5.03 118.68 120.81 2yub s LEU 110 Ca 0.68 0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 53.80 2yub s LEU 110 Cb -0.43 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 43.61 2yub s LEU 110 CO 0.56 0.08 1.38 -1.81 0.23 0.00 0.00 176.35 176.79 2yub s ASP 111 N 0.78 6.28 0.01 2.29 1.11 -1.26 -4.80 116.67 121.08 2yub s ASP 111 Ca 0.11 -0.91 0.29 0.00 0.18 0.00 0.00 52.55 52.22 2yub s ASP 111 Cb -0.13 -2.56 1.19 0.00 1.07 0.00 0.00 42.92 42.49 2yub s ASP 111 CO 0.03 -1.71 1.91 0.00 1.18 0.00 0.00 175.17 176.57 2yub n GLN 112 N 9.14 0.02 -2.46 8.23 6.02 -1.26 -4.74 117.38 132.33 2yub n GLN 112 Ca 0.18 0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.76 2yub n GLN 112 Cb 0.50 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 2yub n GLN 112 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2yub s SER 113 N -3.11 6.50 0.00 1.08 1.04 -1.26 -4.84 113.70 113.10 2yub s SER 113 Ca 0.14 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2yub s SER 113 Cb 0.18 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2yub s SER 113 CO 0.54 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2yub n GLY 114 N 4.88 4.22 3.61 7.32 0.00 -1.26 -5.13 105.19 118.82 2yub n GLY 114 Ca 0.15 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.11 -0.91 -0.60 1.61 0.04 -1.26 -4.97 135.00 124.80 2yub s PRO 115 Ca 0.00 0.04 -0.22 0.00 0.04 0.00 0.00 61.00 60.87 2yub s PRO 115 Cb 0.00 -1.62 0.07 0.00 0.04 0.00 0.00 34.50 32.98 2yub s PRO 115 CO 0.00 -3.53 0.85 -1.54 0.04 0.00 0.00 177.00 172.82 2yub s SER 116 N -3.81 6.22 0.04 6.66 1.04 -1.26 -4.73 113.70 117.86 2yub s SER 116 Ca 0.70 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2yub s SER 116 Cb -0.12 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2yub s SER 116 CO 0.56 -1.24 0.00 -0.24 0.98 0.00 0.00 173.24 173.31 2yub n SER 117 N 7.12 -8.89 0.00 7.02 2.88 -1.26 -5.35 113.62 115.14 2yub n SER 117 Ca -0.04 1.78 0.00 0.00 -1.33 0.00 0.00 58.87 59.28 2yub n SER 117 Cb 0.45 -4.98 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42