#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy s SER 2 N 0.00 -0.65 -0.23 1.61 0.15 -1.26 -5.17 113.70 108.15 2yuy s SER 2 Ca 0.00 0.66 -0.24 0.00 0.70 0.00 0.00 55.95 57.06 2yuy s SER 2 Cb 0.00 0.54 0.07 0.00 -1.71 0.00 0.00 66.02 64.92 2yuy s SER 2 CO 0.00 -0.64 0.68 -0.94 1.20 0.00 0.00 173.24 173.54 2yuy s SER 3 N -1.32 -0.70 0.70 5.45 1.04 -1.26 -5.06 113.70 112.54 2yuy s SER 3 Ca -0.10 1.29 -0.16 0.00 0.48 0.00 0.00 55.95 57.46 2yuy s SER 3 Cb -0.00 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.41 2yuy s SER 3 CO 0.08 -0.28 1.06 0.61 0.98 0.00 0.00 173.24 175.69 2yuy n GLY 4 N 2.50 -0.15 3.03 7.32 0.00 -1.26 -5.01 105.19 111.62 2yuy n GLY 4 Ca -0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 2yuy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy s SER 5 N -1.57 -0.59 -0.32 1.61 0.01 -1.26 -5.02 113.70 106.57 2yuy s SER 5 Ca 0.76 -0.41 -0.28 0.00 1.31 0.00 0.00 55.95 57.34 2yuy s SER 5 Cb -0.36 1.53 0.04 0.00 0.21 0.00 0.00 66.02 67.44 2yuy s SER 5 CO 0.47 -0.29 0.47 -1.20 0.41 0.00 0.00 173.24 173.11 2yuy n SER 6 N 5.07 -5.83 0.00 2.44 7.64 -1.26 -4.79 113.62 116.89 2yuy n SER 6 Ca 0.05 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2yuy n SER 6 Cb 0.52 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 2yuy n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuy n GLY 7 N 0.24 2.01 0.00 0.23 0.00 -1.26 -5.15 105.19 101.27 2yuy n GLY 7 Ca -0.06 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2yuy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 8 N 1.29 -0.29 3.82 -0.02 0.00 -1.26 -4.91 105.19 103.81 2yuy n GLY 8 Ca 0.00 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 2yuy n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 9 N -2.87 2.98 0.27 1.61 0.04 -1.26 -4.95 135.00 130.82 2yuy s PRO 9 Ca 0.00 0.97 -0.08 0.00 0.04 0.00 0.00 61.00 61.93 2yuy s PRO 9 Cb 0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2yuy s PRO 9 CO 0.00 -1.06 0.58 0.21 0.04 0.00 0.00 177.00 176.77 2yuy s LYS 10 N -4.97 3.75 -0.03 4.56 2.20 -0.58 -4.79 119.74 119.88 2yuy s LYS 10 Ca 0.58 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.43 2yuy s LYS 10 Cb -0.14 -2.61 0.02 0.00 -1.51 0.00 0.00 37.83 33.59 2yuy s LYS 10 CO 0.53 0.23 -0.04 0.99 -0.36 0.00 0.00 175.35 176.71 2yuy s THR 11 N -1.98 0.44 -0.06 3.43 2.01 -1.26 -3.31 115.64 114.90 2yuy s THR 11 Ca 0.47 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 2yuy s THR 11 Cb -0.11 -0.46 0.04 0.00 0.01 0.00 0.00 72.50 71.98 2yuy s THR 11 CO 0.25 0.19 0.12 0.68 -0.69 0.00 0.00 174.62 175.17 2yuy s VAL 12 N 0.79 -0.13 0.12 3.82 -7.23 -0.99 -4.99 120.40 111.78 2yuy s VAL 12 Ca -0.10 0.28 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 2yuy s VAL 12 Cb -0.13 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 2yuy s VAL 12 CO -0.00 0.12 0.23 -0.89 -0.31 0.00 0.00 175.10 174.24 2yuy s THR 13 N 1.68 5.18 0.08 5.32 2.01 -1.26 0.04 115.64 128.69 2yuy s THR 13 Ca -0.03 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2yuy s THR 13 Cb -0.12 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2yuy s THR 13 CO -0.05 -0.01 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.04 2yuy s LEU 14 N -2.95 2.43 -0.15 4.42 1.02 -0.37 -4.53 118.68 118.56 2yuy s LEU 14 Ca 0.34 -0.86 -0.01 0.00 0.02 0.00 0.00 54.13 53.61 2yuy s LEU 14 Cb -0.12 -0.11 0.04 0.00 0.02 0.00 0.00 46.19 46.02 2yuy s LEU 14 CO 0.27 -0.38 -0.02 -0.54 0.02 0.00 0.00 176.35 175.70 2yuy s LYS 15 N -3.13 1.09 -0.48 1.70 1.02 -1.26 -2.28 119.74 116.40 2yuy s LYS 15 Ca 0.05 -0.33 -0.44 0.00 0.02 0.00 0.00 55.97 55.27 2yuy s LYS 15 Cb 0.00 -1.76 -0.19 0.00 -0.52 0.00 0.00 37.83 35.37 2yuy s LYS 15 CO -0.03 -0.43 1.87 -2.13 -0.92 0.00 0.00 175.35 173.71 2yuy n ARG 16 N 4.98 0.00 0.03 1.68 0.63 -0.89 -4.74 116.66 118.35 2yuy n ARG 16 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2yuy n ARG 16 Cb 0.48 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.95 2yuy n ARG 16 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2yuy n THR 17 N 5.37 0.30 -3.55 5.15 5.66 -1.26 -5.03 114.28 120.92 2yuy n THR 17 Ca 0.44 0.10 -0.14 0.00 -3.05 0.00 0.00 64.05 61.41 2yuy n THR 17 Cb -0.05 -1.23 -0.05 0.00 -1.55 0.00 0.00 70.33 67.45 2yuy n THR 17 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2yuy s SER 18 N -5.24 -0.49 0.31 1.09 1.04 -1.26 -5.12 113.70 104.03 2yuy s SER 18 Ca 0.00 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2yuy s SER 18 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2yuy s SER 18 CO 0.00 -0.48 0.00 1.67 0.98 0.00 0.00 173.24 175.41 2yuy n GLN 19 N 0.74 -1.94 -1.48 4.02 -0.06 -1.26 -3.07 117.38 114.33 2yuy n GLN 19 Ca -0.14 1.28 -0.34 0.00 -2.00 0.00 0.00 57.00 55.80 2yuy n GLN 19 Cb 0.58 -2.36 -0.08 0.00 -4.06 0.00 0.00 30.24 24.32 2yuy n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2yuy n GLY 20 N -2.92 1.28 3.67 1.69 0.00 -1.26 -4.18 105.19 103.46 2yuy n GLY 20 Ca 0.01 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 2yuy n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2yuy n PHE 21 N 12.05 -2.14 0.00 1.61 3.72 -1.25 -4.27 117.46 127.18 2yuy n PHE 21 Ca 0.46 0.77 0.00 0.00 -0.05 0.00 0.00 57.45 58.63 2yuy n PHE 21 Cb 0.44 -3.11 0.00 0.00 -0.94 0.00 0.00 39.48 35.87 2yuy n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yuy n GLY 22 N -1.73 0.51 3.06 1.37 0.00 -1.17 -4.49 105.19 102.75 2yuy n GLY 22 Ca -0.21 0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2yuy n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2yuy n PHE 23 N 0.00 -1.55 -3.96 1.61 -1.74 -1.26 -4.42 117.46 106.13 2yuy n PHE 23 Ca 0.00 0.36 -0.09 0.00 -0.56 0.00 0.00 57.45 57.16 2yuy n PHE 23 Cb 0.00 -1.44 -0.04 0.00 1.52 0.00 0.00 39.48 39.52 2yuy n PHE 23 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 2yuy s THR 24 N -2.09 0.00 0.31 1.97 -1.32 -1.14 -4.77 115.64 108.60 2yuy s THR 24 Ca 0.38 -1.31 0.10 0.00 -1.21 0.00 0.00 61.69 59.65 2yuy s THR 24 Cb -0.01 -2.22 -0.05 0.00 -1.51 0.00 0.00 72.50 68.71 2yuy s THR 24 CO 0.51 0.00 -0.05 -0.76 -2.21 0.00 0.00 174.62 172.11 2yuy s LEU 25 N -3.01 2.92 0.06 9.08 2.01 -1.26 -2.05 118.68 126.43 2yuy s LEU 25 Ca 0.20 -0.93 -0.27 0.00 0.01 0.00 0.00 54.13 53.14 2yuy s LEU 25 Cb -0.02 -1.36 0.09 0.00 0.01 0.00 0.00 46.19 44.92 2yuy s LEU 25 CO 0.09 -0.11 1.17 -0.13 1.01 0.00 0.00 176.35 178.39 2yuy s ARG 26 N -3.65 0.76 -0.42 1.70 1.81 -1.19 -4.84 118.95 113.11 2yuy s ARG 26 Ca 0.33 -0.46 -0.16 0.00 -1.72 0.00 0.00 55.73 53.72 2yuy s ARG 26 Cb -0.03 0.23 0.02 0.00 -0.45 0.00 0.00 34.95 34.72 2yuy s ARG 26 CO 0.18 -0.35 0.56 0.72 -0.68 0.00 0.00 175.30 175.73 2yuy n HIS 27 N -0.66 -3.49 -3.43 -0.53 8.25 -1.26 -4.01 115.22 110.08 2yuy n HIS 27 Ca -0.03 1.42 -0.08 0.00 -0.26 0.00 0.00 57.72 58.77 2yuy n HIS 27 Cb 0.60 -3.98 0.01 0.00 1.12 0.00 0.00 29.99 27.74 2yuy n HIS 27 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2yuy n PHE 28 N -0.22 -1.70 -4.59 4.41 1.16 -1.26 -4.63 117.46 110.63 2yuy n PHE 28 Ca 0.10 -0.74 -0.32 0.00 -1.87 0.00 0.00 57.45 54.62 2yuy n PHE 28 Cb 0.44 -0.16 -0.06 0.00 -1.61 0.00 0.00 39.48 38.09 2yuy n PHE 28 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 2yuy s ILE 29 N -0.67 1.23 0.00 1.97 -5.25 -1.26 -5.05 121.20 112.18 2yuy s ILE 29 Ca 0.13 -1.90 0.00 0.00 -0.99 0.00 0.00 60.65 57.90 2yuy s ILE 29 Cb -0.01 -2.13 0.00 0.00 2.95 0.00 0.00 42.46 43.27 2yuy s ILE 29 CO 0.08 0.00 0.00 1.33 -1.79 0.00 0.00 174.94 174.56 2yuy n VAL 30 N -1.38 0.00 -3.39 8.37 0.24 -1.26 -4.96 118.33 115.95 2yuy n VAL 30 Ca -0.16 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.94 2yuy n VAL 30 Cb 0.66 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 33.10 2yuy n VAL 30 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2yuy n TYR 31 N 0.00 -2.28 -1.56 6.34 4.01 -1.26 -4.98 117.16 117.43 2yuy n TYR 31 Ca 0.00 0.75 -0.30 0.00 -0.16 0.00 0.00 57.90 58.19 2yuy n TYR 31 Cb 0.00 -3.99 0.08 0.00 -0.31 0.00 0.00 39.34 35.11 2yuy n TYR 31 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2yuy s PRO 32 N -4.92 2.37 0.00 -0.72 0.04 -1.26 -5.07 135.00 125.44 2yuy s PRO 32 Ca 0.43 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2yuy s PRO 32 Cb -0.08 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2yuy s PRO 32 CO 0.78 -1.45 0.00 -0.35 0.04 0.00 0.00 177.00 176.02 2yuy n PRO 33 N -3.33 0.63 0.01 0.56 -0.04 -1.26 -5.06 135.00 126.50 2yuy n PRO 33 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2yuy n PRO 33 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 2yuy n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2yuy n GLU 34 N -0.31 0.00 -1.70 0.54 1.02 -1.26 -4.87 120.64 114.06 2yuy n GLU 34 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2yuy n GLU 34 Cb 0.00 -0.44 0.07 0.00 -0.02 0.00 0.00 31.44 31.05 2yuy n GLU 34 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yuy n SER 35 N -3.00 1.74 -3.06 1.62 2.88 -1.26 -4.92 113.62 107.62 2yuy n SER 35 Ca 0.00 -2.60 -0.34 0.00 -1.33 0.00 0.00 58.87 54.60 2yuy n SER 35 Cb 0.38 -0.40 -0.06 0.00 -0.75 0.00 0.00 64.21 63.39 2yuy n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy n ALA 36 N -0.24 7.34 -2.59 -1.46 0.00 -1.26 -4.90 120.51 117.40 2yuy n ALA 36 Ca 0.13 -3.20 -0.43 0.00 0.00 0.00 0.00 53.44 49.95 2yuy n ALA 36 Cb 0.95 -3.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.20 2yuy n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yuy s ILE 37 N 1.95 4.56 -1.60 0.00 1.01 -1.26 -4.92 121.20 120.95 2yuy s ILE 37 Ca 0.69 1.88 -0.11 0.00 0.00 0.00 0.00 60.65 63.12 2yuy s ILE 37 Cb 0.21 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 2yuy s ILE 37 CO -0.05 -0.15 2.84 0.00 0.00 0.00 0.00 174.94 177.59 2yuy n GLN 38 N 6.25 3.57 -3.29 2.79 3.00 -1.26 -4.70 117.38 123.75 2yuy n GLN 38 Ca 0.12 -2.28 -0.19 0.00 -0.01 0.00 0.00 57.00 54.64 2yuy n GLN 38 Cb 0.46 -2.88 0.02 0.00 0.00 0.00 0.00 30.24 27.84 2yuy n GLN 38 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2yuy n PHE 39 N 3.99 -1.82 -2.80 1.08 3.01 -1.26 -3.33 117.46 116.32 2yuy n PHE 39 Ca 0.74 0.77 -0.03 0.00 1.01 0.00 0.00 57.45 59.93 2yuy n PHE 39 Cb 0.26 -1.80 -0.03 0.00 -0.01 0.00 0.00 39.48 37.90 2yuy n PHE 39 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2yuy n SER 40 N 0.43 -3.41 -1.42 4.37 2.88 -1.26 -4.76 113.62 110.45 2yuy n SER 40 Ca -0.03 1.19 0.19 0.00 -1.33 0.00 0.00 58.87 58.88 2yuy n SER 40 Cb 0.55 -3.74 -0.06 0.00 -0.75 0.00 0.00 64.21 60.22 2yuy n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy n TYR 41 N 2.04 -3.62 -1.62 0.66 9.36 -1.26 -4.72 117.16 118.00 2yuy n TYR 41 Ca -0.25 1.85 -0.45 0.00 3.32 0.00 0.00 57.90 62.37 2yuy n TYR 41 Cb 0.39 -3.29 -0.02 0.00 -0.63 0.00 0.00 39.34 35.79 2yuy n TYR 41 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2yuy n LYS 42 N -4.23 1.58 0.00 2.98 4.76 -1.26 -4.06 118.16 117.93 2yuy n LYS 42 Ca -0.01 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 2yuy n LYS 42 Cb 0.65 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 2yuy n LYS 42 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2yuy n ASP 43 N 1.46 0.00 -4.09 4.39 -0.08 -1.21 -4.98 116.55 112.04 2yuy n ASP 43 Ca 0.10 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.28 2yuy n ASP 43 Cb 0.31 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.67 2yuy n ASP 43 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2yuy s GLU 44 N 0.00 0.61 0.10 -0.67 0.41 -1.26 -4.61 118.70 113.28 2yuy s GLU 44 Ca 0.00 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 53.52 2yuy s GLU 44 Cb 0.00 -0.06 0.00 0.00 -1.78 0.00 0.00 34.13 32.29 2yuy s GLU 44 CO 0.00 -0.03 0.00 0.39 -0.49 0.00 0.00 175.26 175.13 2yuy n GLU 45 N 0.65 0.00 -3.54 1.61 1.02 -1.26 -5.10 120.64 114.03 2yuy n GLU 45 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2yuy n GLU 45 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.95 2yuy n GLU 45 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2yuy s ASN 46 N -2.00 -0.38 0.00 1.62 3.84 -1.26 -5.16 114.94 111.60 2yuy s ASN 46 Ca 0.00 0.57 0.00 0.00 0.21 0.00 0.00 52.86 53.64 2yuy s ASN 46 Cb 0.00 1.27 0.00 0.00 -0.55 0.00 0.00 41.25 41.97 2yuy s ASN 46 CO 0.00 -0.09 0.00 0.61 -2.79 0.00 0.00 177.10 174.83 2yuy n GLY 47 N 3.98 0.93 2.00 1.21 0.00 -1.26 -5.14 105.19 106.90 2yuy n GLY 47 Ca -0.15 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2yuy n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yuy n ASN 48 N 0.00 -8.38 -4.19 1.61 4.13 -1.26 -5.05 115.26 102.12 2yuy n ASN 48 Ca 0.00 1.37 -0.20 0.00 1.68 0.00 0.00 54.58 57.44 2yuy n ASN 48 Cb 0.00 -4.66 -0.12 0.00 -1.54 0.00 0.00 39.78 33.46 2yuy n ASN 48 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yuy s ARG 49 N -0.86 0.89 0.00 3.52 1.70 -1.26 -5.04 118.95 117.89 2yuy s ARG 49 Ca 0.00 -0.98 0.00 0.00 -0.47 0.00 0.00 55.73 54.28 2yuy s ARG 49 Cb 0.00 -0.95 0.00 0.00 -0.57 0.00 0.00 34.95 33.43 2yuy s ARG 49 CO 0.00 0.22 0.00 0.41 -1.08 0.00 0.00 175.30 174.85 2yuy n GLY 50 N 1.30 -1.06 0.00 3.88 0.00 -1.26 -5.15 105.19 102.89 2yuy n GLY 50 Ca -0.21 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2yuy n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 51 N 0.00 3.51 2.60 -0.02 0.00 -1.26 -5.09 105.19 104.93 2yuy n GLY 51 Ca 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 2yuy n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yuy n LYS 52 N 0.55 -4.15 -3.72 1.61 3.00 -1.26 -4.95 118.16 109.24 2yuy n LYS 52 Ca 0.00 3.19 -0.36 0.00 -0.00 0.00 0.00 58.31 61.14 2yuy n LYS 52 Cb 0.00 -5.07 -0.09 0.00 0.00 0.00 0.00 35.03 29.87 2yuy n LYS 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2yuy s GLN 53 N -0.98 2.63 -0.06 1.64 2.00 -1.26 -4.90 119.66 118.73 2yuy s GLN 53 Ca -0.19 -2.64 -0.05 0.00 -2.00 0.00 0.00 55.36 50.48 2yuy s GLN 53 Cb 0.01 -3.74 0.01 0.00 0.80 0.00 0.00 33.01 30.09 2yuy s GLN 53 CO 0.77 -1.18 0.08 2.89 -0.50 0.00 0.00 175.29 177.35 2yuy n ARG 54 N 3.31 -0.26 -4.55 1.67 1.85 -1.26 -4.91 116.66 112.51 2yuy n ARG 54 Ca 0.09 0.24 -0.28 0.00 -1.00 0.00 0.00 57.85 56.91 2yuy n ARG 54 Cb 0.37 -0.33 -0.14 0.00 -1.05 0.00 0.00 32.46 31.32 2yuy n ARG 54 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2yuy s ASN 55 N -0.26 3.00 -0.89 2.89 3.84 -1.26 -5.05 114.94 117.21 2yuy s ASN 55 Ca 0.05 -0.66 -0.00 0.00 0.21 0.00 0.00 52.86 52.46 2yuy s ASN 55 Cb -0.01 -0.22 0.26 0.00 -0.55 0.00 0.00 41.25 40.74 2yuy s ASN 55 CO 0.11 0.17 1.04 -1.14 -2.79 0.00 0.00 177.10 174.49 2yuy n ARG 56 N 1.32 3.31 -3.09 0.43 0.00 -1.26 -4.85 116.66 112.51 2yuy n ARG 56 Ca -0.18 -4.58 -0.19 0.00 -0.00 0.00 0.00 57.85 52.91 2yuy n ARG 56 Cb 0.53 -2.40 0.02 0.00 0.00 0.00 0.00 32.46 30.61 2yuy n ARG 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2yuy n LEU 57 N 1.46 -6.01 -4.17 6.15 7.99 -1.26 -4.87 117.00 116.29 2yuy n LEU 57 Ca 0.26 0.27 -0.35 0.00 -0.01 0.00 0.00 56.01 56.18 2yuy n LEU 57 Cb 0.37 -2.77 0.07 0.00 -0.11 0.00 0.00 43.42 40.98 2yuy n LEU 57 CO 0.51 -1.51 -0.83 -1.84 -1.51 0.00 0.00 177.39 172.22 2yuy n GLU 58 N -0.32 -0.13 0.00 3.23 0.28 -1.26 -4.98 120.64 117.47 2yuy n GLU 58 Ca 0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2yuy n GLU 58 Cb 0.54 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 32.06 2yuy n GLU 58 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2yuy n PRO 59 N 0.77 0.88 0.03 3.44 -0.04 -1.26 -5.07 135.00 133.75 2yuy n PRO 59 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2yuy n PRO 59 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 2yuy n PRO 59 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2yuy n MET 60 N -0.10 0.00 -1.21 0.54 2.81 -1.26 -5.07 117.12 112.82 2yuy n MET 60 Ca 0.00 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.51 2yuy n MET 60 Cb 0.00 -0.40 0.02 0.00 -0.71 0.00 0.00 33.22 32.12 2yuy n MET 60 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2yuy n ASP 61 N -3.18 -3.94 0.00 7.83 8.00 -1.26 -4.98 116.55 119.02 2yuy n ASP 61 Ca 0.00 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.07 2yuy n ASP 61 Cb 0.22 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 2yuy n ASP 61 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2yuy n THR 62 N -1.73 0.00 -2.49 -3.53 5.66 -1.26 -4.86 114.28 106.07 2yuy n THR 62 Ca 0.06 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.65 2yuy n THR 62 Cb 0.49 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 2yuy n THR 62 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2yuy s ILE 63 N 0.73 3.82 -0.12 1.09 1.09 -1.26 -4.74 121.20 121.81 2yuy s ILE 63 Ca 0.00 0.64 -0.01 0.00 -1.10 0.00 0.00 60.65 60.18 2yuy s ILE 63 Cb 0.00 -4.68 -0.02 0.00 -1.06 0.00 0.00 42.46 36.70 2yuy s ILE 63 CO 0.00 -1.45 -0.08 -0.36 -0.10 0.00 0.00 174.94 172.95 2yuy s PHE 64 N 5.71 2.91 0.83 3.97 0.40 -1.26 -1.75 117.98 128.79 2yuy s PHE 64 Ca 0.44 -0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 56.30 2yuy s PHE 64 Cb -0.09 -1.84 -0.00 0.00 0.51 0.00 0.00 43.02 41.60 2yuy s PHE 64 CO 0.22 0.01 0.48 0.28 0.70 0.00 0.00 175.22 176.90 2yuy n VAL 65 N 3.14 1.01 0.06 -0.44 0.31 -0.94 -3.20 118.33 118.27 2yuy n VAL 65 Ca -0.18 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2yuy n VAL 65 Cb 0.53 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2yuy n VAL 65 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2yuy n LYS 66 N -1.18 0.00 -4.26 5.55 4.81 -0.87 -3.81 118.16 118.40 2yuy n LYS 66 Ca 0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.38 2yuy n LYS 66 Cb 0.52 -0.39 -0.10 0.00 0.02 0.00 0.00 35.03 35.07 2yuy n LYS 66 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2yuy s GLN 67 N -1.91 1.11 -0.21 1.64 -1.52 -1.26 -4.87 119.66 112.65 2yuy s GLN 67 Ca 0.00 -1.52 -0.03 0.00 -1.95 0.00 0.00 55.36 51.87 2yuy s GLN 67 Cb 0.00 -0.45 0.07 0.00 -0.22 0.00 0.00 33.01 32.41 2yuy s GLN 67 CO 0.00 -0.05 0.05 0.08 -0.25 0.00 0.00 175.29 175.12 2yuy s VAL 68 N -3.50 0.53 -0.40 1.09 1.01 -1.26 -2.87 120.40 115.00 2yuy s VAL 68 Ca 0.21 -0.65 -0.46 0.00 0.00 0.00 0.00 61.98 61.09 2yuy s VAL 68 Cb 0.05 -1.09 -0.20 0.00 0.00 0.00 0.00 36.38 35.14 2yuy s VAL 68 CO 0.03 -0.28 1.50 1.17 0.00 0.00 0.00 175.10 177.52 2yuy n LYS 69 N 5.04 0.02 -1.80 2.72 0.00 -1.26 -4.69 118.16 118.19 2yuy n LYS 69 Ca -0.08 0.01 -0.36 0.00 0.00 0.00 0.00 58.31 57.88 2yuy n LYS 69 Cb 0.46 -1.51 -0.05 0.00 0.00 0.00 0.00 35.03 33.93 2yuy n LYS 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2yuy n GLU 70 N 3.54 1.81 0.00 1.64 2.13 -1.26 -2.10 120.64 126.40 2yuy n GLU 70 Ca 0.29 -2.36 0.00 0.00 0.66 0.00 0.00 57.16 55.75 2yuy n GLU 70 Cb -0.03 -3.41 0.00 0.00 0.27 0.00 0.00 31.44 28.27 2yuy n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2yuy n GLY 71 N 5.23 1.78 0.00 8.31 0.00 -1.26 -5.14 105.19 114.11 2yuy n GLY 71 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2yuy n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 72 N -0.14 3.55 0.03 -0.02 0.00 -0.89 -4.99 105.19 102.73 2yuy n GLY 72 Ca 0.00 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 2yuy n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy h PRO 73 N 0.00 -0.06 -1.09 1.61 0.13 -1.87 -2.84 132.00 127.88 2yuy h PRO 73 Ca 0.00 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.49 2yuy h PRO 73 Cb 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.00 2yuy h PRO 73 CO 0.00 -0.04 0.65 0.00 -0.23 0.00 0.00 178.00 178.38 2yuy h ALA 74 N -1.83 2.21 -0.95 -0.56 0.00 -1.85 1.42 119.26 117.70 2yuy h ALA 74 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2yuy h ALA 74 Cb 0.05 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2yuy h ALA 74 CO 0.01 -0.81 0.60 0.35 0.00 0.00 0.00 179.25 179.40 2yuy h PHE 75 N 0.25 1.22 -0.04 0.00 3.57 -1.77 0.57 116.94 120.74 2yuy h PHE 75 Ca 0.75 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.25 2yuy h PHE 75 Cb 1.93 -0.41 -0.00 0.00 2.79 0.00 0.00 35.95 40.26 2yuy h PHE 75 CO -0.01 0.79 -0.03 0.93 -2.23 0.00 0.00 178.31 177.76 2yuy h GLU 76 N 1.29 0.09 0.00 1.11 4.39 0.21 -2.60 114.58 119.08 2yuy h GLU 76 Ca 0.34 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2yuy h GLU 76 Cb -0.10 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2yuy h GLU 76 CO -0.07 0.52 0.26 0.00 -1.16 0.00 0.00 179.01 178.56 2yuy h ALA 77 N 0.57 1.26 0.00 3.43 0.00 -0.83 -3.44 119.26 120.25 2yuy h ALA 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2yuy h ALA 77 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2yuy h ALA 77 CO 0.01 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.41 2yuy n GLY 78 N -1.20 0.93 3.73 0.00 0.00 -0.75 -4.91 105.19 103.00 2yuy n GLY 78 Ca -0.02 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2yuy n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2yuy s LEU 79 N 0.00 3.32 0.00 0.99 2.96 0.19 -4.99 118.68 121.15 2yuy s LEU 79 Ca 0.00 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 2yuy s LEU 79 Cb 0.00 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 42.11 2yuy s LEU 79 CO 0.00 -2.11 0.00 0.00 -1.32 0.00 0.00 176.35 172.92 2yuy s THR 81 N -1.61 4.73 0.00 0.00 2.01 -1.26 -4.44 115.64 115.07 2yuy s THR 81 Ca 0.00 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.88 2yuy s THR 81 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.02 2yuy s THR 81 CO 0.00 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 2yuy n GLY 82 N -0.84 2.62 3.70 4.40 0.00 -1.25 -4.96 105.19 108.87 2yuy n GLY 82 Ca -0.08 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2yuy n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yuy n ASP 83 N 0.69 3.86 -4.89 1.61 9.92 -1.26 -4.59 116.55 121.89 2yuy n ASP 83 Ca 0.00 1.05 -0.32 0.00 -0.53 0.00 0.00 54.79 54.98 2yuy n ASP 83 Cb 0.00 -1.54 -0.05 0.00 -0.64 0.00 0.00 41.12 38.89 2yuy n ASP 83 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yuy s ARG 84 N 1.49 3.67 -0.03 -1.24 1.70 -1.26 -2.21 118.95 121.08 2yuy s ARG 84 Ca 0.77 0.02 -0.28 0.00 -0.47 0.00 0.00 55.73 55.78 2yuy s ARG 84 Cb -0.53 -2.86 -0.03 0.00 -0.57 0.00 0.00 34.95 30.96 2yuy s ARG 84 CO 0.34 0.47 0.88 0.42 -1.08 0.00 0.00 175.30 176.33 2yuy s ILE 85 N -1.62 4.93 -0.09 4.99 -1.09 -0.72 -3.64 121.20 123.97 2yuy s ILE 85 Ca 0.40 1.83 0.04 0.00 -2.23 0.00 0.00 60.65 60.69 2yuy s ILE 85 Cb -0.12 -4.22 -0.09 0.00 -1.58 0.00 0.00 42.46 36.45 2yuy s ILE 85 CO 0.22 0.19 -0.03 2.30 -1.23 0.00 0.00 174.94 176.39 2yuy n ILE 86 N 3.88 0.59 -4.19 2.92 -5.35 0.22 -4.79 119.36 112.65 2yuy n ILE 86 Ca 0.03 -0.29 -0.11 0.00 -0.27 0.00 0.00 62.75 62.11 2yuy n ILE 86 Cb 0.51 -0.83 -0.10 0.00 -1.74 0.00 0.00 39.64 37.48 2yuy n ILE 86 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2yuy s LYS 87 N -2.21 0.96 -0.29 6.28 1.02 -1.16 -3.53 119.74 120.82 2yuy s LYS 87 Ca -0.09 -1.45 0.02 0.00 0.02 0.00 0.00 55.97 54.47 2yuy s LYS 87 Cb 0.03 -0.03 0.18 0.00 -0.52 0.00 0.00 37.83 37.49 2yuy s LYS 87 CO 0.29 -0.16 0.54 0.08 -0.92 0.00 0.00 175.35 175.18 2yuy s VAL 88 N -3.82 -0.89 -1.39 3.17 1.01 -1.26 -2.75 120.40 114.48 2yuy s VAL 88 Ca 0.21 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 2yuy s VAL 88 Cb 0.07 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2yuy s VAL 88 CO 0.01 -0.06 1.15 0.59 0.00 0.00 0.00 175.10 176.79 2yuy n ASN 89 N 5.41 -6.17 -1.56 3.32 3.02 -1.12 -0.77 115.26 117.39 2yuy n ASN 89 Ca 0.01 -0.57 -0.13 0.00 -0.03 0.00 0.00 54.58 53.86 2yuy n ASN 89 Cb 0.52 -4.86 -0.05 0.00 -0.61 0.00 0.00 39.78 34.78 2yuy n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yuy n GLY 90 N -1.97 0.94 0.06 7.41 0.00 -1.26 -4.75 105.19 105.62 2yuy n GLY 90 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2yuy n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2yuy h GLU 91 N 0.00 0.00 -4.71 1.61 4.22 -1.34 -3.50 114.58 110.86 2yuy h GLU 91 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.17 2yuy h GLU 91 Cb 0.91 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 2yuy h GLU 91 CO 0.38 0.00 -1.22 0.45 -2.18 0.00 0.00 179.01 176.45 2yuy n SER 92 N -2.14 -4.98 -2.38 1.04 2.88 -1.26 -4.79 113.62 101.99 2yuy n SER 92 Ca 0.03 1.53 -0.25 0.00 -1.33 0.00 0.00 58.87 58.85 2yuy n SER 92 Cb 0.45 -5.02 -0.05 0.00 -0.75 0.00 0.00 64.21 58.84 2yuy n SER 92 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2yuy n VAL 93 N 1.68 3.23 -3.16 2.46 0.24 -1.23 -4.84 118.33 116.71 2yuy n VAL 93 Ca -0.19 -2.72 -0.44 0.00 -2.04 0.00 0.00 64.34 58.94 2yuy n VAL 93 Cb 0.30 -1.59 -0.06 0.00 -1.47 0.00 0.00 33.84 31.02 2yuy n VAL 93 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2yuy s ILE 94 N -2.02 4.88 0.00 1.34 -1.09 -1.26 -4.28 121.20 118.78 2yuy s ILE 94 Ca 0.56 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 2yuy s ILE 94 Cb 0.36 -4.37 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 2yuy s ILE 94 CO -0.18 -0.93 0.00 0.61 -1.23 0.00 0.00 174.94 173.21 2yuy n GLY 95 N 5.22 3.04 3.27 6.18 0.00 -1.26 -5.04 105.19 116.61 2yuy n GLY 95 Ca -0.08 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 2yuy n GLY 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yuy n LYS 96 N 0.00 0.11 0.00 1.61 5.02 -1.26 -4.98 118.16 118.66 2yuy n LYS 96 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2yuy n LYS 96 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2yuy n LYS 96 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2yuy n THR 97 N -1.76 0.00 -0.08 -0.18 5.66 -1.26 -4.89 114.28 111.77 2yuy n THR 97 Ca 0.07 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.94 2yuy n THR 97 Cb 0.49 -0.74 -0.10 0.00 -1.55 0.00 0.00 70.33 68.42 2yuy n THR 97 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 2yuy h TYR 98 N 0.00 0.00 -0.61 1.09 3.20 -1.96 -3.21 116.97 115.47 2yuy h TYR 98 Ca 0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 2yuy h TYR 98 Cb 0.00 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2yuy h TYR 98 CO 0.00 0.95 0.30 0.77 -1.64 0.00 0.00 178.16 178.54 2yuy h SER 99 N -1.00 0.42 0.08 -2.11 0.02 -1.97 0.25 113.55 109.24 2yuy h SER 99 Ca -0.10 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2yuy h SER 99 Cb 0.93 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 2yuy h SER 99 CO -0.06 0.27 -0.20 1.56 -1.14 0.00 0.00 176.83 177.26 2yuy h GLN 100 N 0.56 -0.30 -0.95 3.45 4.20 -1.95 0.60 115.11 120.72 2yuy h GLN 100 Ca 0.28 0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.18 2yuy h GLN 100 Cb 0.23 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.00 2yuy h GLN 100 CO -0.21 -0.20 0.60 -0.39 -0.67 0.00 0.00 178.83 177.96 2yuy h VAL 101 N -0.31 0.78 -0.37 -0.54 -1.51 -1.52 0.17 116.25 112.94 2yuy h VAL 101 Ca -0.01 -0.24 0.02 0.00 -1.23 0.00 0.00 66.70 65.24 2yuy h VAL 101 Cb 0.30 0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 29.44 2yuy h VAL 101 CO -0.09 0.13 0.20 0.40 -1.23 0.00 0.00 177.57 176.98 2yuy h ILE 102 N 0.71 1.00 -0.24 7.19 1.08 0.50 -0.41 117.51 127.35 2yuy h ILE 102 Ca 0.50 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 64.81 2yuy h ILE 102 Cb 0.83 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2yuy h ILE 102 CO -0.26 0.07 0.03 0.00 -0.69 0.00 0.00 178.15 177.30 2yuy h ALA 103 N 1.19 1.63 0.00 1.87 0.00 0.30 0.18 119.26 124.42 2yuy h ALA 103 Ca 0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2yuy h ALA 103 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2yuy h ALA 103 CO -0.10 0.28 -0.23 -0.07 0.00 0.00 0.00 179.25 179.14 2yuy h LEU 104 N 0.33 0.00 0.13 0.00 3.38 0.48 1.82 115.31 121.46 2yuy h LEU 104 Ca 0.08 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.74 2yuy h LEU 104 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2yuy h LEU 104 CO -0.00 0.23 -1.56 0.40 0.09 0.00 0.00 178.44 177.60 2yuy h ILE 105 N 0.00 1.12 0.00 1.22 2.04 0.08 -1.34 117.51 120.63 2yuy h ILE 105 Ca -0.00 -2.75 -0.08 0.00 1.00 0.00 0.00 64.86 63.03 2yuy h ILE 105 Cb 0.43 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 2yuy h ILE 105 CO 0.03 0.82 -0.39 1.56 0.00 0.00 0.00 178.15 180.18 2yuy h GLN 106 N 0.08 0.00 -0.03 2.37 4.20 -0.20 -3.02 115.11 118.51 2yuy h GLN 106 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2yuy h GLN 106 Cb 2.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.82 2yuy h GLN 106 CO 0.17 0.39 -0.04 0.27 -0.67 0.00 0.00 178.83 178.95 2yuy n ASN 107 N -3.23 2.87 0.00 1.46 0.23 0.62 -4.10 115.26 113.11 2yuy n ASN 107 Ca 0.02 -1.95 0.08 0.00 -0.53 0.00 0.00 54.58 52.21 2yuy n ASN 107 Cb 0.66 0.04 0.42 0.00 -2.08 0.00 0.00 39.78 38.82 2yuy n ASN 107 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2yuy n SER 108 N 1.20 0.00 0.00 0.53 7.64 -0.51 -4.97 113.62 117.51 2yuy n SER 108 Ca 0.14 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2yuy n SER 108 Cb 0.58 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2yuy n SER 108 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yuy n ASP 109 N -1.32 -0.29 0.23 6.43 2.03 -1.26 -4.09 116.55 118.29 2yuy n ASP 109 Ca 0.08 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.22 2yuy n ASP 109 Cb 0.15 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.45 2yuy n ASP 109 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2yuy h THR 110 N 0.00 0.00 -3.96 5.18 2.02 -1.94 -3.42 112.91 110.79 2yuy h THR 110 Ca 0.00 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.69 2yuy h THR 110 Cb 0.00 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.43 2yuy h THR 110 CO 0.00 0.00 0.25 0.42 0.37 0.00 0.00 175.52 176.56 2yuy s THR 111 N -5.63 4.68 -0.20 3.16 -4.23 -1.26 -2.10 115.64 110.07 2yuy s THR 111 Ca -0.16 0.86 -0.07 0.00 -1.18 0.00 0.00 61.69 61.14 2yuy s THR 111 Cb 0.04 -3.75 0.09 0.00 1.34 0.00 0.00 72.50 70.22 2yuy s THR 111 CO 0.56 -0.67 0.42 -0.22 -0.54 0.00 0.00 174.62 174.17 2yuy s LEU 112 N -4.13 -0.63 0.06 4.79 1.98 -0.97 -4.67 118.68 115.12 2yuy s LEU 112 Ca 0.54 0.99 -0.03 0.00 -2.89 0.00 0.00 54.13 52.75 2yuy s LEU 112 Cb -0.10 1.36 -0.05 0.00 0.66 0.00 0.00 46.19 48.06 2yuy s LEU 112 CO 0.34 -0.23 0.26 -0.70 -1.89 0.00 0.00 176.35 174.14 2yuy s GLU 113 N 2.58 3.52 0.40 1.98 2.12 -1.26 -1.24 118.70 126.80 2yuy s GLU 113 Ca -0.02 -0.25 0.04 0.00 0.36 0.00 0.00 54.97 55.11 2yuy s GLU 113 Cb -0.12 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.25 2yuy s GLU 113 CO -0.13 0.59 0.16 1.28 -0.54 0.00 0.00 175.26 176.62 2yuy n LEU 114 N 0.51 0.00 -3.61 2.70 4.77 0.11 -2.78 117.00 118.70 2yuy n LEU 114 Ca -0.07 -3.11 -0.03 0.00 -0.03 0.00 0.00 56.01 52.78 2yuy n LEU 114 Cb 0.52 1.09 -0.05 0.00 -2.33 0.00 0.00 43.42 42.64 2yuy n LEU 114 CO 0.48 -0.48 0.41 -0.44 -1.33 0.00 0.00 177.39 176.03 2yuy s SER 115 N -3.47 -0.89 0.23 -1.43 0.01 -1.11 -2.35 113.70 104.69 2yuy s SER 115 Ca 0.22 1.31 0.01 0.00 1.31 0.00 0.00 55.95 58.81 2yuy s SER 115 Cb 0.01 1.70 -0.00 0.00 0.21 0.00 0.00 66.02 67.94 2yuy s SER 115 CO 0.16 -0.20 0.04 1.33 0.41 0.00 0.00 173.24 174.98 2yuy n VAL 116 N 4.68 0.00 -3.27 3.43 0.24 -1.21 0.72 118.33 122.92 2yuy n VAL 116 Ca -0.16 -1.18 -0.21 0.00 -2.04 0.00 0.00 64.34 60.75 2yuy n VAL 116 Cb 0.55 0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 33.17 2yuy n VAL 116 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2yuy s MET 117 N -2.84 0.87 0.92 7.34 -1.94 -1.24 -1.53 119.30 120.88 2yuy s MET 117 Ca 0.05 -1.67 -0.16 0.00 -1.71 0.00 0.00 55.69 52.20 2yuy s MET 117 Cb 0.00 -1.05 0.22 0.00 2.01 0.00 0.00 34.83 36.02 2yuy s MET 117 CO 0.04 -1.34 1.01 -0.35 -0.01 0.00 0.00 175.02 174.37 2yuy n PRO 118 N 3.16 -1.94 -3.69 2.03 -0.04 -1.26 -4.81 135.00 128.45 2yuy n PRO 118 Ca 0.24 -1.59 -0.14 0.00 -0.04 0.00 0.00 63.50 61.96 2yuy n PRO 118 Cb 0.48 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 2yuy n PRO 118 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2yuy s LYS 119 N -5.25 0.69 -0.12 0.54 2.47 -1.26 -5.06 119.74 111.75 2yuy s LYS 119 Ca 0.61 0.38 -0.09 0.00 -1.56 0.00 0.00 55.97 55.31 2yuy s LYS 119 Cb -0.04 0.32 0.03 0.00 -1.46 0.00 0.00 37.83 36.69 2yuy s LYS 119 CO 0.45 -0.15 0.17 -3.47 0.16 0.00 0.00 175.35 172.51 2yuy n ASP 120 N 2.06 -2.14 0.00 1.43 2.03 -1.26 -4.87 116.55 113.80 2yuy n ASP 120 Ca -0.17 1.22 0.00 0.00 0.52 0.00 0.00 54.79 56.37 2yuy n ASP 120 Cb 0.56 -4.58 0.00 0.00 -0.72 0.00 0.00 41.12 36.39 2yuy n ASP 120 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2yuy n SER 121 N 1.46 0.00 0.00 1.67 7.64 -1.26 -4.93 113.62 118.20 2yuy n SER 121 Ca -0.29 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2yuy n SER 121 Cb 0.45 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2yuy n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuy n GLY 122 N -0.99 0.95 3.73 0.23 0.00 -1.26 -4.94 105.19 102.90 2yuy n GLY 122 Ca 0.00 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2yuy n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 123 N 0.00 4.55 0.52 1.61 0.04 -1.26 -5.05 135.00 135.42 2yuy s PRO 123 Ca 0.00 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.85 2yuy s PRO 123 Cb 0.00 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.28 2yuy s PRO 123 CO 0.00 -0.00 0.39 0.45 0.04 0.00 0.00 177.00 177.87 2yuy s SER 124 N 0.11 4.65 -0.28 6.66 0.15 -1.26 -4.85 113.70 118.88 2yuy s SER 124 Ca 0.51 -1.19 -0.25 0.00 0.70 0.00 0.00 55.95 55.72 2yuy s SER 124 Cb -0.30 0.27 0.04 0.00 -1.71 0.00 0.00 66.02 64.32 2yuy s SER 124 CO 0.34 -1.03 0.42 -0.24 1.20 0.00 0.00 173.24 173.94 2yuy n SER 125 N -1.71 -5.83 0.00 5.45 2.88 -1.26 -5.32 113.62 107.83 2yuy n SER 125 Ca -0.01 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2yuy n SER 125 Cb 0.64 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2yuy n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42