#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogy n ALA 3 N 0.00 0.00 -1.08 2.24 0.00 -1.26 -5.01 120.51 115.40 1ogy n ALA 3 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1ogy n ALA 3 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1ogy n ALA 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ogy n PRO 4 N 0.00 0.00 0.00 0.00 -0.04 -1.26 -3.85 135.00 129.85 1ogy n PRO 4 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ogy n PRO 4 Cb 0.00 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1ogy n PRO 4 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ogy n ARG 5 N 6.14 0.00 0.00 0.54 5.12 -1.26 -4.27 116.66 122.93 1ogy n ARG 5 Ca 0.47 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 1ogy n ARG 5 Cb 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 1ogy n ARG 5 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ogy n LEU 6 N 0.00 0.00 -0.03 0.55 4.77 -1.25 0.16 117.00 121.20 1ogy n LEU 6 Ca 0.00 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 55.92 1ogy n LEU 6 Cb 0.00 -0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 40.80 1ogy n LEU 6 CO 0.00 -0.15 -0.86 0.35 -1.33 0.00 0.00 177.39 175.40 1ogy n THR 7 N -1.11 1.71 0.08 -5.08 -2.24 -1.26 -4.73 114.28 101.64 1ogy n THR 7 Ca 0.00 -0.55 0.04 0.00 -2.27 0.00 0.00 64.05 61.27 1ogy n THR 7 Cb 0.02 -1.75 -0.06 0.00 -2.10 0.00 0.00 70.33 66.45 1ogy n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogy n GLY 8 N 1.92 -0.26 2.25 3.38 0.00 0.12 -5.12 105.19 107.49 1ogy n GLY 8 Ca -0.34 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1ogy n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy n ALA 9 N -1.67 -1.70 -1.73 4.61 0.00 0.78 -4.87 120.51 115.93 1ogy n ALA 9 Ca -0.01 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 1ogy n ALA 9 Cb 0.20 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.49 1ogy n ALA 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ogy n ASP 10 N 1.90 2.64 -0.76 0.00 -0.08 -1.26 -3.57 116.55 115.41 1ogy n ASP 10 Ca 0.00 1.01 0.00 0.00 -1.51 0.00 0.00 54.79 54.29 1ogy n ASP 10 Cb 0.00 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 41.90 1ogy n ASP 10 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1ogy n ARG 11 N -0.73 0.00 0.00 -0.67 0.00 -1.26 -4.29 116.66 109.71 1ogy n ARG 11 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1ogy n ARG 11 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.89 1ogy n ARG 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ogy n PRO 12 N -0.15 0.00 -0.71 2.89 -0.04 -1.23 -2.67 135.00 133.09 1ogy n PRO 12 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ogy n PRO 12 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ogy n PRO 12 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ogy n MET 13 N 0.00 -0.34 0.01 0.54 2.81 -1.26 -4.87 117.12 114.01 1ogy n MET 13 Ca 0.00 0.08 -0.10 0.00 -1.81 0.00 0.00 57.70 55.87 1ogy n MET 13 Cb 0.00 -4.13 -0.04 0.00 -0.71 0.00 0.00 33.22 28.34 1ogy n MET 13 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1ogy h SER 14 N 0.00 -0.89 0.00 7.83 0.87 -1.74 -3.47 113.55 116.14 1ogy h SER 14 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1ogy h SER 14 Cb 0.17 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1ogy h SER 14 CO 0.00 -0.34 0.00 1.21 -0.53 0.00 0.00 176.83 177.17 1ogy n GLU 15 N -5.40 0.00 -4.70 2.24 2.13 -1.26 -5.17 120.64 108.49 1ogy n GLU 15 Ca -0.03 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.53 1ogy n GLU 15 Cb 0.31 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.88 1ogy n GLU 15 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ogy s VAL 16 N 0.00 1.67 0.02 6.31 1.01 -1.26 -5.12 120.40 123.03 1ogy s VAL 16 Ca 0.00 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 60.61 1ogy s VAL 16 Cb 0.00 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 1ogy s VAL 16 CO 0.00 0.24 0.62 0.00 0.00 0.00 0.00 175.10 175.96 1ogy s ALA 17 N -0.76 3.49 -0.37 5.51 0.00 -1.26 -5.04 121.76 123.33 1ogy s ALA 17 Ca 0.08 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.95 1ogy s ALA 17 Cb -0.09 -2.77 -0.00 0.00 0.00 0.00 0.00 23.12 20.27 1ogy s ALA 17 CO 0.01 0.19 0.41 0.00 0.00 0.00 0.00 175.76 176.38 1ogy s ALA 18 N -0.34 3.47 0.96 0.00 0.00 -1.26 -4.86 121.76 119.73 1ogy s ALA 18 Ca 0.32 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 1ogy s ALA 18 Cb -0.19 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1ogy s ALA 18 CO 0.18 -1.25 0.23 -2.30 0.00 0.00 0.00 175.76 172.62 1ogy n PRO 19 N 5.51 -0.27 -2.62 0.00 -0.02 -1.26 -4.92 135.00 131.41 1ogy n PRO 19 Ca -0.08 -0.04 -0.35 0.00 -2.02 0.00 0.00 63.50 61.00 1ogy n PRO 19 Cb 0.49 -1.74 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 1ogy n PRO 19 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ogy s PRO 20 N -3.41 4.15 0.11 0.52 0.04 -1.26 -4.94 135.00 130.21 1ogy s PRO 20 Ca 0.54 1.38 -0.34 0.00 0.04 0.00 0.00 61.00 62.63 1ogy s PRO 20 Cb -0.20 -2.41 -0.18 0.00 0.04 0.00 0.00 34.50 31.74 1ogy s PRO 20 CO 0.70 -0.13 0.91 1.28 0.04 0.00 0.00 177.00 179.79 1ogy n LEU 21 N -0.28 -0.05 -4.86 -3.56 4.77 -1.26 -4.90 117.00 106.85 1ogy n LEU 21 Ca 0.06 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.87 1ogy n LEU 21 Cb 0.51 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1ogy n LEU 21 CO 0.42 -2.13 0.60 -2.84 -1.33 0.00 0.00 177.39 172.11 1ogy s PRO 22 N -0.44 3.82 -0.11 3.23 0.02 -1.26 -5.03 135.00 135.23 1ogy s PRO 22 Ca 0.77 0.72 -0.09 0.00 0.02 0.00 0.00 61.00 62.43 1ogy s PRO 22 Cb -1.05 -2.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1ogy s PRO 22 CO 0.55 -0.24 0.19 -1.83 -0.33 0.00 0.00 177.00 175.35 1ogy s GLU 23 N -4.21 3.67 0.69 5.54 -1.05 -1.26 -4.88 118.70 117.20 1ogy s GLU 23 Ca 0.55 -0.04 -0.17 0.00 -0.15 0.00 0.00 54.97 55.16 1ogy s GLU 23 Cb -0.10 -3.24 0.01 0.00 -0.44 0.00 0.00 34.13 30.35 1ogy s GLU 23 CO 0.35 0.67 1.16 2.41 0.95 0.00 0.00 175.26 180.81 1ogy n THR 24 N 2.26 3.81 -3.31 1.83 -1.04 -1.26 -2.16 114.28 114.41 1ogy n THR 24 Ca -0.18 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.05 60.98 1ogy n THR 24 Cb 0.54 -1.31 -0.08 0.00 -1.82 0.00 0.00 70.33 67.66 1ogy n THR 24 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ogy s ILE 25 N -1.63 5.08 -0.99 12.58 1.01 0.63 -4.84 121.20 133.05 1ogy s ILE 25 Ca 0.78 -0.41 0.22 0.00 0.00 0.00 0.00 60.65 61.25 1ogy s ILE 25 Cb -0.36 -4.06 -0.15 0.00 0.01 0.00 0.00 42.46 37.90 1ogy s ILE 25 CO 0.45 -0.46 1.08 0.41 0.00 0.00 0.00 174.94 176.42 1ogy n THR 26 N 5.43 0.00 -1.70 2.92 -1.04 -1.26 -4.21 114.28 114.43 1ogy n THR 26 Ca -0.08 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.50 1ogy n THR 26 Cb 0.47 0.72 -0.03 0.00 -1.82 0.00 0.00 70.33 69.67 1ogy n THR 26 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1ogy s ASP 27 N -3.03 5.47 0.00 8.00 -4.77 -1.26 -4.65 116.67 116.43 1ogy s ASP 27 Ca 0.09 1.67 0.00 0.00 -3.30 0.00 0.00 52.55 51.01 1ogy s ASP 27 Cb 0.16 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.48 1ogy s ASP 27 CO 0.81 -1.99 0.16 0.47 0.70 0.00 0.00 175.17 175.33 1ogy n ASP 28 N 11.74 0.46 -4.61 2.11 8.00 -1.23 -4.73 116.55 128.29 1ogy n ASP 28 Ca 0.29 -0.60 -0.40 0.00 0.71 0.00 0.00 54.79 54.79 1ogy n ASP 28 Cb 0.46 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 1ogy n ASP 28 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ogy s ARG 29 N 1.23 4.02 0.64 -1.24 0.52 -1.26 -4.95 118.95 117.90 1ogy s ARG 29 Ca 0.00 0.29 -0.18 0.00 -0.52 0.00 0.00 55.73 55.32 1ogy s ARG 29 Cb 0.00 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 31.78 1ogy s ARG 29 CO 0.00 -0.40 1.25 0.54 0.02 0.00 0.00 175.30 176.71 1ogy n ARG 30 N 5.59 1.09 -0.08 3.54 1.74 -1.26 -4.73 116.66 122.55 1ogy n ARG 30 Ca -0.04 0.43 -0.19 0.00 -0.77 0.00 0.00 57.85 57.28 1ogy n ARG 30 Cb 0.50 -2.49 -0.13 0.00 -1.02 0.00 0.00 32.46 29.32 1ogy n ARG 30 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ogy n VAL 31 N -1.89 1.59 0.00 1.55 0.31 -1.26 -5.10 118.33 113.54 1ogy n VAL 31 Ca 0.16 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1ogy n VAL 31 Cb 0.48 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1ogy n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ogy n GLY 32 N 2.15 1.32 3.46 2.92 0.00 -1.26 -4.46 105.19 109.32 1ogy n GLY 32 Ca -0.40 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.24 1ogy n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogy n ARG 33 N 2.84 0.73 -0.06 1.61 3.00 -1.26 -4.70 116.66 118.82 1ogy n ARG 33 Ca 0.00 -3.05 -0.06 0.00 -0.01 0.00 0.00 57.85 54.73 1ogy n ARG 33 Cb 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 32.46 32.57 1ogy n ARG 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ogy n ASN 34 N -1.96 1.85 -4.10 0.55 3.02 -1.26 -5.02 115.26 108.33 1ogy n ASN 34 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.46 1ogy n ASN 34 Cb 0.56 0.85 -0.11 0.00 -0.61 0.00 0.00 39.78 40.48 1ogy n ASN 34 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1ogy s TYR 35 N -2.34 0.68 0.46 3.10 -0.85 -1.26 -4.52 117.35 112.61 1ogy s TYR 35 Ca -0.06 -0.75 -0.07 0.00 -0.52 0.00 0.00 57.07 55.66 1ogy s TYR 35 Cb 0.04 -0.42 0.11 0.00 0.38 0.00 0.00 41.96 42.07 1ogy s TYR 35 CO 0.53 -0.17 0.25 -2.30 -1.52 0.00 0.00 175.55 172.34 1ogy n PRO 36 N 0.70 -2.03 -0.58 -3.49 -0.02 -1.26 -2.26 135.00 126.06 1ogy n PRO 36 Ca -0.18 -0.42 -0.01 0.00 -2.02 0.00 0.00 63.50 60.88 1ogy n PRO 36 Cb 0.58 -0.62 -0.00 0.00 -0.02 0.00 0.00 33.50 33.44 1ogy n PRO 36 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ogy n GLU 37 N -2.48 -1.48 -3.27 -0.52 1.02 -1.26 -4.85 120.64 107.80 1ogy n GLU 37 Ca 0.04 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 1ogy n GLU 37 Cb 0.17 -3.42 -0.08 0.00 -0.02 0.00 0.00 31.44 28.09 1ogy n GLU 37 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1ogy s GLN 38 N -1.18 3.51 -0.11 3.49 0.74 -0.96 -5.02 119.66 120.15 1ogy s GLN 38 Ca 0.00 -0.30 -0.35 0.00 0.05 0.00 0.00 55.36 54.75 1ogy s GLN 38 Cb 0.00 -3.84 -0.13 0.00 1.10 0.00 0.00 33.01 30.14 1ogy s GLN 38 CO 0.00 -0.68 1.82 -0.35 -0.55 0.00 0.00 175.29 175.53 1ogy n PRO 39 N 5.70 1.95 -1.67 1.67 -0.04 -1.26 -4.90 135.00 136.44 1ogy n PRO 39 Ca -0.06 0.71 -0.38 0.00 -0.04 0.00 0.00 63.50 63.74 1ogy n PRO 39 Cb 0.49 -2.52 0.05 0.00 -0.04 0.00 0.00 33.50 31.48 1ogy n PRO 39 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ogy n PRO 40 N 6.08 1.21 -3.26 0.54 -0.02 -1.26 -4.93 135.00 133.36 1ogy n PRO 40 Ca 0.23 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 1ogy n PRO 40 Cb 0.26 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 1ogy n PRO 40 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ogy s VAL 41 N -1.40 4.79 -0.42 -1.45 1.01 -1.26 -4.40 120.40 117.26 1ogy s VAL 41 Ca 0.74 0.76 -0.28 0.00 0.00 0.00 0.00 61.98 63.20 1ogy s VAL 41 Cb -0.43 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1ogy s VAL 41 CO 0.48 -0.11 1.05 -0.63 0.00 0.00 0.00 175.10 175.89 1ogy s ILE 42 N -1.88 4.38 -1.72 2.22 1.01 0.15 -4.77 121.20 120.59 1ogy s ILE 42 Ca 0.50 1.24 0.27 0.00 0.00 0.00 0.00 60.65 62.67 1ogy s ILE 42 Cb -0.11 -4.49 0.64 0.00 0.01 0.00 0.00 42.46 38.51 1ogy s ILE 42 CO 0.19 -0.79 1.96 -0.81 0.00 0.00 0.00 174.94 175.50 1ogy n PRO 43 N 7.34 0.63 -1.72 2.79 -0.04 -1.26 -3.88 135.00 138.86 1ogy n PRO 43 Ca 0.10 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1ogy n PRO 43 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1ogy n PRO 43 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ogy n HIS 44 N -1.14 0.00 -2.63 0.54 1.44 -1.26 -3.58 115.22 108.59 1ogy n HIS 44 Ca 0.17 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.61 1ogy n HIS 44 Cb 0.15 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.27 1ogy n HIS 44 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1ogy s SER 45 N -0.72 6.16 -0.08 4.39 0.15 -1.26 -4.81 113.70 117.53 1ogy s SER 45 Ca 0.00 0.87 -0.05 0.00 0.70 0.00 0.00 55.95 57.47 1ogy s SER 45 Cb 0.00 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1ogy s SER 45 CO 0.00 -0.64 -0.13 -0.38 1.20 0.00 0.00 173.24 173.29 1ogy n ILE 46 N -2.29 0.76 0.00 6.45 5.41 -1.26 -4.99 119.36 123.44 1ogy n ILE 46 Ca 0.01 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1ogy n ILE 46 Cb 0.56 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 1ogy n ILE 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ogy n GLU 47 N -3.56 0.00 0.00 0.38 -0.58 -1.26 -0.03 120.64 115.59 1ogy n GLU 47 Ca -0.16 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.67 1ogy n GLU 47 Cb 0.53 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 31.87 1ogy n GLU 47 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ogy n GLY 48 N 0.00 -0.82 3.69 0.62 0.00 -1.26 -4.82 105.19 102.59 1ogy n GLY 48 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1ogy n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ogy s TYR 49 N -2.45 2.53 -0.11 1.61 4.12 0.95 -4.99 117.35 119.02 1ogy s TYR 49 Ca 0.20 0.48 -0.05 0.00 0.02 0.00 0.00 57.07 57.72 1ogy s TYR 49 Cb 0.12 -3.86 -0.04 0.00 -1.52 0.00 0.00 41.96 36.67 1ogy s TYR 49 CO 0.26 -3.39 0.07 -1.14 0.02 0.00 0.00 175.55 171.38 1ogy s GLN 50 N 2.66 3.26 -0.24 -0.62 0.74 -1.26 -4.96 119.66 119.23 1ogy s GLN 50 Ca 0.70 -0.28 -0.00 0.00 0.05 0.00 0.00 55.36 55.83 1ogy s GLN 50 Cb -0.36 -3.00 0.07 0.00 1.10 0.00 0.00 33.01 30.81 1ogy s GLN 50 CO 0.30 0.71 0.00 -0.51 -0.55 0.00 0.00 175.29 175.24 1ogy s LEU 51 N -0.87 2.22 0.00 3.68 1.43 -1.25 -1.42 118.68 122.47 1ogy s LEU 51 Ca 0.13 -1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.02 1ogy s LEU 51 Cb -0.12 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.13 1ogy s LEU 51 CO 0.03 -0.30 0.22 -1.54 0.23 0.00 0.00 176.35 175.00 1ogy n SER 52 N 4.79 -0.62 0.25 2.29 3.41 0.18 -4.98 113.62 118.94 1ogy n SER 52 Ca -0.09 -1.88 0.07 0.00 -0.26 0.00 0.00 58.87 56.72 1ogy n SER 52 Cb 0.44 1.17 0.60 0.00 -0.26 0.00 0.00 64.21 66.16 1ogy n SER 52 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1ogy h VAL 53 N 1.47 1.02 0.00 -3.33 2.07 -2.05 -3.01 116.25 112.42 1ogy h VAL 53 Ca -0.13 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1ogy h VAL 53 Cb 0.55 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1ogy h VAL 53 CO 0.17 0.08 -1.70 0.59 0.02 0.00 0.00 177.57 176.74 1ogy n ASN 54 N -4.38 0.48 -3.66 0.57 3.02 -1.26 -5.02 115.26 105.02 1ogy n ASN 54 Ca -0.03 -0.23 -0.14 0.00 -0.03 0.00 0.00 54.58 54.16 1ogy n ASN 54 Cb 0.16 1.71 -0.07 0.00 -0.61 0.00 0.00 39.78 40.98 1ogy n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ogy s ALA 55 N -3.29 -1.08 -0.33 5.41 0.00 -1.14 -5.11 121.76 116.23 1ogy s ALA 55 Ca -0.04 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 1ogy s ALA 55 Cb 0.13 0.26 0.12 0.00 0.00 0.00 0.00 23.12 23.63 1ogy s ALA 55 CO 0.84 -0.41 0.17 1.21 0.00 0.00 0.00 175.76 177.57 1ogy s ASN 56 N -1.78 3.30 0.38 0.00 3.84 -1.25 0.50 114.94 119.93 1ogy s ASN 56 Ca -0.08 -1.81 0.14 0.00 0.21 0.00 0.00 52.86 51.32 1ogy s ASN 56 Cb -0.02 -0.44 0.97 0.00 -0.55 0.00 0.00 41.25 41.21 1ogy s ASN 56 CO 0.00 -0.37 1.83 -0.09 -2.79 0.00 0.00 177.10 175.69 1ogy h ARG 57 N 7.64 0.52 -0.65 0.43 9.65 -1.61 -2.40 114.38 127.96 1ogy h ARG 57 Ca -0.06 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.75 1ogy h ARG 57 Cb 0.99 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.42 1ogy h ARG 57 CO 0.36 0.34 0.25 0.00 2.80 0.00 0.00 179.97 183.72 1ogy n LEU 59 N -4.41 0.00 0.11 0.00 4.77 -0.90 -1.46 117.00 115.10 1ogy n LEU 59 Ca 0.04 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 56.21 1ogy n LEU 59 Cb 0.18 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1ogy n LEU 59 CO 0.39 -0.14 0.34 -0.33 -1.33 0.00 0.00 177.39 176.33 1ogy h GLU 60 N 0.00 0.00 0.00 3.23 5.08 -1.48 -3.38 114.58 118.04 1ogy h GLU 60 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1ogy h GLU 60 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1ogy h GLU 60 CO 0.00 0.75 -1.84 0.00 -1.00 0.00 0.00 179.01 176.92 1ogy s HIS 62 N -2.29 3.08 0.32 0.00 3.76 -0.54 -4.78 115.29 114.84 1ogy s HIS 62 Ca -0.20 -1.40 -0.10 0.00 -0.15 0.00 0.00 55.06 53.21 1ogy s HIS 62 Cb 0.06 -4.35 0.01 0.00 1.11 0.00 0.00 32.58 29.41 1ogy s HIS 62 CO 0.32 -1.54 0.56 -0.98 -0.85 0.00 0.00 174.74 172.25 1ogy s ARG 63 N 2.90 1.88 -0.02 1.40 1.70 -1.26 -4.50 118.95 121.04 1ogy s ARG 63 Ca 0.36 -1.50 0.07 0.00 -0.47 0.00 0.00 55.73 54.19 1ogy s ARG 63 Cb -0.04 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 1ogy s ARG 63 CO -0.08 -0.81 -0.22 1.03 -1.08 0.00 0.00 175.30 174.13 1ogy s ARG 64 N -3.20 1.88 -0.06 3.89 0.52 -1.26 -2.48 118.95 118.24 1ogy s ARG 64 Ca 0.24 -0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 54.55 1ogy s ARG 64 Cb -0.02 -1.78 -0.05 0.00 0.52 0.00 0.00 34.95 33.62 1ogy s ARG 64 CO 0.14 0.46 0.25 1.14 0.02 0.00 0.00 175.30 177.32 1ogy s GLN 65 N -0.47 3.63 0.00 3.54 1.03 -1.26 -5.03 119.66 121.10 1ogy s GLN 65 Ca 0.07 0.08 0.00 0.00 0.04 0.00 0.00 55.36 55.54 1ogy s GLN 65 Cb -0.09 -3.19 0.00 0.00 0.03 0.00 0.00 33.01 29.76 1ogy s GLN 65 CO -0.00 0.73 0.00 0.66 -2.54 0.00 0.00 175.29 174.14 1ogy n TYR 66 N 1.81 0.00 -2.05 9.60 4.02 -1.26 -4.75 117.16 124.53 1ogy n TYR 66 Ca -0.17 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.64 1ogy n TYR 66 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.84 1ogy n TYR 66 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1ogy n SER 67 N 0.00 -0.38 0.00 7.72 3.41 -1.26 0.11 113.62 123.23 1ogy n SER 67 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1ogy n SER 67 Cb 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1ogy n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ogy n GLY 68 N -0.58 3.02 3.89 5.00 0.00 -1.26 -5.04 105.19 110.22 1ogy n GLY 68 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1ogy n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 69 N 0.00 3.57 -0.19 0.99 1.43 0.31 -5.08 118.68 119.71 1ogy s LEU 69 Ca 0.00 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 1ogy s LEU 69 Cb 0.00 -4.10 0.02 0.00 0.03 0.00 0.00 46.19 42.14 1ogy s LEU 69 CO 0.00 -0.61 -0.18 -0.69 0.23 0.00 0.00 176.35 175.09 1ogy s VAL 70 N -2.77 2.14 0.21 -1.59 1.01 -1.26 -4.37 120.40 113.77 1ogy s VAL 70 Ca 0.51 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1ogy s VAL 70 Cb -0.10 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1ogy s VAL 70 CO 0.43 0.48 0.07 0.00 0.00 0.00 0.00 175.10 176.08 1ogy s ALA 71 N 1.28 1.40 0.09 5.51 0.00 -1.26 -5.11 121.76 123.68 1ogy s ALA 71 Ca 0.04 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 1ogy s ALA 71 Cb -0.14 0.95 -0.06 0.00 0.00 0.00 0.00 23.12 23.87 1ogy s ALA 71 CO -0.12 -0.45 1.10 0.00 0.00 0.00 0.00 175.76 176.30 1ogy s ALA 72 N -3.84 3.33 0.30 0.00 0.00 -1.26 -4.79 121.76 115.49 1ogy s ALA 72 Ca 0.32 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 1ogy s ALA 72 Cb 0.07 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1ogy s ALA 72 CO 0.09 -0.28 1.42 -1.25 0.00 0.00 0.00 175.76 175.74 1ogy s PRO 73 N 0.46 4.26 0.00 0.00 0.04 -1.26 -4.86 135.00 133.64 1ogy s PRO 73 Ca 0.53 2.34 0.01 0.00 0.04 0.00 0.00 61.00 63.93 1ogy s PRO 73 Cb -0.27 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.21 1ogy s PRO 73 CO 0.31 -0.38 0.51 -1.33 0.04 0.00 0.00 177.00 176.15 1ogy n MET 74 N 1.51 -0.55 -3.73 4.56 2.81 -1.03 -5.01 117.12 115.68 1ogy n MET 74 Ca 0.04 -0.54 -0.14 0.00 -1.81 0.00 0.00 57.70 55.25 1ogy n MET 74 Cb 0.40 -1.00 -0.09 0.00 -0.71 0.00 0.00 33.22 31.82 1ogy n MET 74 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1ogy s ILE 75 N -0.13 0.03 0.35 2.02 -4.36 -1.26 -4.38 121.20 113.48 1ogy s ILE 75 Ca 0.01 -0.26 -0.25 0.00 -0.26 0.00 0.00 60.65 59.89 1ogy s ILE 75 Cb 0.01 -0.63 -0.09 0.00 1.25 0.00 0.00 42.46 43.00 1ogy s ILE 75 CO 0.01 -0.14 1.01 -0.94 0.24 0.00 0.00 174.94 175.12 1ogy s SER 76 N -0.75 7.06 0.00 4.36 1.04 -1.26 -4.86 113.70 119.29 1ogy s SER 76 Ca -0.08 1.97 0.08 0.00 0.48 0.00 0.00 55.95 58.40 1ogy s SER 76 Cb -0.04 -2.59 0.43 0.00 0.10 0.00 0.00 66.02 63.92 1ogy s SER 76 CO 0.03 -0.27 1.12 -0.38 0.98 0.00 0.00 173.24 174.72 1ogy n ILE 77 N 0.33 0.75 0.31 -1.02 5.41 -1.26 -1.27 119.36 122.61 1ogy n ILE 77 Ca 0.03 0.19 0.16 0.00 1.00 0.00 0.00 62.75 64.12 1ogy n ILE 77 Cb 0.49 -1.05 0.62 0.00 -0.71 0.00 0.00 39.64 39.00 1ogy n ILE 77 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1ogy h THR 78 N 0.00 0.00 -0.00 1.39 1.35 -1.98 -0.67 112.91 113.00 1ogy h THR 78 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1ogy h THR 78 Cb 0.07 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1ogy h THR 78 CO 0.00 0.00 -0.00 1.41 -0.25 0.00 0.00 175.52 176.68 1ogy n HIS 79 N -2.86 0.00 0.89 4.73 8.25 -0.40 -3.07 115.22 122.77 1ogy n HIS 79 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.58 1ogy n HIS 79 Cb 0.29 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 1ogy n HIS 79 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ogy n PHE 80 N -0.96 0.03 -2.93 4.41 0.99 -0.26 -1.17 117.46 117.58 1ogy n PHE 80 Ca 0.23 0.01 -0.39 0.00 -0.00 0.00 0.00 57.45 57.29 1ogy n PHE 80 Cb 0.14 -0.13 -0.06 0.00 -1.00 0.00 0.00 39.48 38.42 1ogy n PHE 80 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1ogy s GLN 81 N -3.05 4.63 0.45 -1.08 -0.21 -1.17 -1.46 119.66 117.76 1ogy s GLN 81 Ca 0.07 1.23 0.04 0.00 0.02 0.00 0.00 55.36 56.72 1ogy s GLN 81 Cb 0.16 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.93 1ogy s GLN 81 CO 0.83 0.55 0.64 0.16 -2.12 0.00 0.00 175.29 175.35 1ogy s ASP 82 N -1.18 5.64 0.22 5.90 -4.77 -0.02 -4.77 116.67 117.69 1ogy s ASP 82 Ca 0.37 -0.09 -0.31 0.00 -3.30 0.00 0.00 52.55 49.23 1ogy s ASP 82 Cb -0.24 -1.03 -0.15 0.00 -1.09 0.00 0.00 42.92 40.41 1ogy s ASP 82 CO 0.27 -0.81 1.02 -1.14 0.70 0.00 0.00 175.17 175.22 1ogy n ARG 83 N -2.02 1.07 -0.21 2.11 0.63 -1.26 0.92 116.66 117.90 1ogy n ARG 83 Ca 0.05 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1ogy n ARG 83 Cb 0.59 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.73 1ogy n ARG 83 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ogy n GLU 84 N 1.26 0.00 -0.38 -0.14 4.71 -1.26 -4.51 120.64 120.33 1ogy n GLU 84 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1ogy n GLU 84 Cb 0.27 -0.58 0.00 0.00 -1.01 0.00 0.00 31.44 30.12 1ogy n GLU 84 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ogy n GLY 85 N -2.00 0.90 3.76 0.62 0.00 0.26 -4.98 105.19 103.75 1ogy n GLY 85 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ogy n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ogy s GLN 86 N -0.28 3.42 -0.47 1.61 -1.52 -1.24 -4.56 119.66 116.62 1ogy s GLN 86 Ca 0.00 2.30 -0.16 0.00 -1.95 0.00 0.00 55.36 55.54 1ogy s GLN 86 Cb 0.00 -2.45 0.06 0.00 -0.22 0.00 0.00 33.01 30.40 1ogy s GLN 86 CO 0.00 -0.99 0.44 1.41 -0.25 0.00 0.00 175.29 175.91 1ogy s MET 87 N -2.68 3.02 1.03 2.91 1.75 -1.26 -0.84 119.30 123.23 1ogy s MET 87 Ca 0.66 -1.18 -0.12 0.00 -1.25 0.00 0.00 55.69 53.80 1ogy s MET 87 Cb -0.41 -4.10 0.21 0.00 2.84 0.00 0.00 34.83 33.36 1ogy s MET 87 CO 0.51 -1.04 1.08 -0.51 -0.65 0.00 0.00 175.02 174.41 1ogy s LEU 88 N 1.91 1.49 -0.07 4.11 1.43 -0.53 -4.92 118.68 122.09 1ogy s LEU 88 Ca 0.07 1.34 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1ogy s LEU 88 Cb -0.22 -3.48 0.17 0.00 0.03 0.00 0.00 46.19 42.69 1ogy s LEU 88 CO 0.09 -3.39 0.97 0.00 0.23 0.00 0.00 176.35 174.25 1ogy n ALA 89 N -4.36 2.98 0.00 4.21 0.00 -1.26 -4.87 120.51 117.21 1ogy n ALA 89 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1ogy n ALA 89 Cb 0.56 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1ogy n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ogy n ASP 90 N 0.14 0.00 -4.52 0.00 2.03 -1.26 -5.13 116.55 107.81 1ogy n ASP 90 Ca 0.09 0.00 -0.55 0.00 0.52 0.00 0.00 54.79 54.85 1ogy n ASP 90 Cb 0.59 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.93 1ogy n ASP 90 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1ogy n VAL 91 N -0.35 0.32 -2.83 5.18 0.31 -1.26 -4.63 118.33 115.06 1ogy n VAL 91 Ca 0.00 -0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 63.95 1ogy n VAL 91 Cb 0.00 -0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.61 1ogy n VAL 91 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ogy s SER 92 N 0.00 6.52 0.47 4.52 1.04 -0.32 -4.94 113.70 121.00 1ogy s SER 92 Ca 0.85 1.15 0.17 0.00 0.48 0.00 0.00 55.95 58.59 1ogy s SER 92 Cb -1.11 -2.33 1.17 0.00 0.10 0.00 0.00 66.02 63.84 1ogy s SER 92 CO 0.54 -0.41 2.02 -0.65 0.98 0.00 0.00 173.24 175.72 1ogy h PRO 93 N 1.22 0.22 -6.83 4.02 0.11 -1.91 -3.26 132.00 125.57 1ogy h PRO 93 Ca -0.47 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.13 1ogy h PRO 93 Cb 1.19 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ogy h PRO 93 CO 0.64 0.15 0.43 -0.98 -0.21 0.00 0.00 178.00 178.02 1ogy s ARG 94 N -5.23 4.59 0.00 1.05 1.70 -1.26 -1.69 118.95 118.10 1ogy s ARG 94 Ca -0.06 1.66 0.00 0.00 -0.47 0.00 0.00 55.73 56.86 1ogy s ARG 94 Cb 0.19 -3.06 0.00 0.00 -0.57 0.00 0.00 34.95 31.51 1ogy s ARG 94 CO 0.73 0.21 0.00 0.54 -1.08 0.00 0.00 175.30 175.70 1ogy n ARG 95 N 0.97 0.00 0.10 3.89 5.12 -1.26 -4.94 116.66 120.54 1ogy n ARG 95 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 1ogy n ARG 95 Cb 0.46 -0.27 -0.05 0.00 -1.16 0.00 0.00 32.46 31.44 1ogy n ARG 95 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1ogy h TYR 96 N 0.00 -0.76 -1.84 -1.55 3.20 -1.37 -3.29 116.97 111.37 1ogy h TYR 96 Ca 0.00 0.02 -0.57 0.00 3.14 0.00 0.00 58.73 61.32 1ogy h TYR 96 Cb 0.00 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 38.50 1ogy h TYR 96 CO 0.00 -0.38 1.23 -0.06 -1.64 0.00 0.00 178.16 177.31 1ogy s PHE 97 N -6.04 2.41 0.12 -3.82 0.40 -1.26 -4.81 117.98 104.98 1ogy s PHE 97 Ca -0.16 -0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 55.61 1ogy s PHE 97 Cb 0.08 -4.64 -0.04 0.00 0.51 0.00 0.00 43.02 38.93 1ogy s PHE 97 CO 0.65 -2.00 1.51 0.00 0.70 0.00 0.00 175.22 176.09 1ogy n THR 99 N -4.33 0.53 0.13 0.00 -2.24 -1.26 -0.18 114.28 106.92 1ogy n THR 99 Ca -0.02 0.67 -0.01 0.00 -2.27 0.00 0.00 64.05 62.42 1ogy n THR 99 Cb 0.38 -1.67 0.15 0.00 -2.10 0.00 0.00 70.33 67.08 1ogy n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ogy h ALA 100 N 0.79 0.88 0.00 6.98 0.00 -1.96 -3.37 119.26 122.57 1ogy h ALA 100 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1ogy h ALA 100 Cb 0.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ogy h ALA 100 CO 0.00 0.80 -1.11 0.00 0.00 0.00 0.00 179.25 178.94 1ogy s HIS 102 N -2.04 3.25 -0.02 0.00 3.76 -0.55 -4.85 115.29 114.84 1ogy s HIS 102 Ca -0.01 0.19 0.04 0.00 -0.15 0.00 0.00 55.06 55.13 1ogy s HIS 102 Cb 0.01 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 1ogy s HIS 102 CO 0.06 -0.11 -0.15 0.08 -0.85 0.00 0.00 174.74 173.77 1ogy s VAL 103 N 1.62 3.03 0.88 -0.90 1.01 -1.26 -4.45 120.40 120.33 1ogy s VAL 103 Ca 0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1ogy s VAL 103 Cb -0.15 -2.22 0.19 0.00 0.00 0.00 0.00 36.38 34.20 1ogy s VAL 103 CO 0.09 0.52 1.20 -2.16 0.00 0.00 0.00 175.10 174.75 1ogy s PRO 104 N -0.94 0.88 0.04 2.72 0.04 -1.26 0.30 135.00 136.78 1ogy s PRO 104 Ca 0.13 -0.89 -0.02 0.00 0.04 0.00 0.00 61.00 60.26 1ogy s PRO 104 Cb -0.11 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1ogy s PRO 104 CO 0.02 -2.12 -0.00 -0.65 0.04 0.00 0.00 177.00 174.28 1ogy s GLN 105 N -5.60 0.50 0.48 4.56 -0.21 -1.25 -4.76 119.66 113.37 1ogy s GLN 105 Ca 0.73 -0.90 0.05 0.00 0.02 0.00 0.00 55.36 55.25 1ogy s GLN 105 Cb -0.03 0.18 -0.02 0.00 1.00 0.00 0.00 33.01 34.13 1ogy s GLN 105 CO 0.50 -0.10 0.13 0.95 -2.12 0.00 0.00 175.29 174.65 1ogy s THR 106 N -2.75 1.69 -0.72 -0.19 -4.23 -1.26 -0.27 115.64 107.91 1ogy s THR 106 Ca -0.04 -1.82 -0.23 0.00 -1.18 0.00 0.00 61.69 58.42 1ogy s THR 106 Cb -0.01 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.39 1ogy s THR 106 CO -0.06 0.00 1.08 0.21 -0.54 0.00 0.00 174.62 175.31 1ogy s ASN 107 N -3.94 6.23 -0.05 3.99 2.47 -0.92 -4.85 114.94 117.88 1ogy s ASN 107 Ca 0.25 -0.98 -0.02 0.00 0.42 0.00 0.00 52.86 52.53 1ogy s ASN 107 Cb 0.03 -2.46 0.03 0.00 -1.45 0.00 0.00 41.25 37.40 1ogy s ASN 107 CO 0.14 -1.51 0.11 0.00 -3.72 0.00 0.00 177.10 172.12 1ogy s ALA 108 N 4.39 -0.19 -0.19 1.71 0.00 -1.26 -4.56 121.76 121.65 1ogy s ALA 108 Ca 0.27 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 1ogy s ALA 108 Cb -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1ogy s ALA 108 CO 0.09 -0.12 0.80 -0.65 0.00 0.00 0.00 175.76 175.87 1ogy s GLN 109 N 0.87 4.25 0.21 0.00 -0.21 -1.26 -4.98 119.66 118.54 1ogy s GLN 109 Ca -0.07 0.93 -0.32 0.00 0.02 0.00 0.00 55.36 55.92 1ogy s GLN 109 Cb -0.09 -3.60 -0.14 0.00 1.00 0.00 0.00 33.01 30.19 1ogy s GLN 109 CO -0.04 -0.37 1.44 -2.30 -2.12 0.00 0.00 175.29 171.90 1ogy n PRO 110 N 5.42 2.00 0.00 2.91 -0.02 -1.26 -4.82 135.00 139.23 1ogy n PRO 110 Ca 0.04 0.71 0.08 0.00 -2.02 0.00 0.00 63.50 62.31 1ogy n PRO 110 Cb 0.49 -2.39 0.35 0.00 -0.02 0.00 0.00 33.50 31.93 1ogy n PRO 110 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ogy n LEU 111 N 2.46 0.00 -3.63 2.45 4.77 -1.26 -4.72 117.00 117.06 1ogy n LEU 111 Ca 0.13 0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1ogy n LEU 111 Cb 0.30 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1ogy n LEU 111 CO 0.63 -0.21 0.50 -0.69 -1.33 0.00 0.00 177.39 176.29 1ogy s VAL 112 N -2.95 0.00 0.47 4.08 1.01 -1.26 -5.08 120.40 116.67 1ogy s VAL 112 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 1ogy s VAL 112 Cb 0.11 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 1ogy s VAL 112 CO 0.29 0.00 1.10 0.42 0.00 0.00 0.00 175.10 176.91 1ogy s THR 113 N 0.46 3.44 -0.27 3.92 -4.23 -1.26 -5.01 115.64 112.68 1ogy s THR 113 Ca -0.00 1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.45 1ogy s THR 113 Cb -0.05 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1ogy s THR 113 CO -0.03 -0.09 0.05 0.21 -0.54 0.00 0.00 174.62 174.21 1ogy s ASN 114 N -1.65 4.92 -0.11 3.99 3.84 -1.26 -4.99 114.94 119.68 1ogy s ASN 114 Ca 0.65 -0.60 -0.00 0.00 0.21 0.00 0.00 52.86 53.12 1ogy s ASN 114 Cb -0.23 -1.84 0.09 0.00 -0.55 0.00 0.00 41.25 38.72 1ogy s ASN 114 CO 0.28 -0.14 1.74 -0.62 -2.79 0.00 0.00 177.10 175.57 1ogy n GLU 115 N 4.84 1.28 -2.22 0.43 1.02 -1.26 -4.83 120.64 119.90 1ogy n GLU 115 Ca -0.15 -0.57 -0.41 0.00 -0.02 0.00 0.00 57.16 56.00 1ogy n GLU 115 Cb 0.49 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 1ogy n GLU 115 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ogy s PHE 116 N -0.66 3.23 0.15 -0.32 5.36 -1.26 -4.88 117.98 119.60 1ogy s PHE 116 Ca 0.11 1.36 0.06 0.00 -0.96 0.00 0.00 56.93 57.50 1ogy s PHE 116 Cb 0.09 -3.59 -0.04 0.00 -0.34 0.00 0.00 43.02 39.14 1ogy s PHE 116 CO 0.00 -1.68 0.05 1.03 -1.46 0.00 0.00 175.22 173.16 1ogy s ARG 117 N -0.92 2.62 0.42 10.12 1.81 -1.26 -1.60 118.95 130.14 1ogy s ARG 117 Ca 0.52 -0.94 -0.22 0.00 -1.72 0.00 0.00 55.73 53.36 1ogy s ARG 117 Cb -0.37 -2.51 -0.09 0.00 -0.45 0.00 0.00 34.95 31.52 1ogy s ARG 117 CO 0.44 0.49 1.01 0.34 -0.68 0.00 0.00 175.30 176.89 1ogy s ASP 118 N -2.82 6.76 0.12 0.23 2.15 -0.77 -4.78 116.67 117.56 1ogy s ASP 118 Ca 0.28 1.89 -0.21 0.00 0.43 0.00 0.00 52.55 54.94 1ogy s ASP 118 Cb -0.10 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 39.89 1ogy s ASP 118 CO 0.20 -0.48 1.71 0.24 -0.17 0.00 0.00 175.17 176.67 1ogy h MET 119 N 2.16 -0.03 -6.00 4.34 2.86 -1.93 -3.27 114.93 113.06 1ogy h MET 119 Ca -0.49 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.56 1ogy h MET 119 Cb 1.20 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.81 1ogy h MET 119 CO 0.61 -0.02 -0.15 -0.51 1.06 0.00 0.00 176.91 177.90 1ogy s LEU 120 N -10.34 4.45 -0.69 1.22 1.02 -1.26 -4.44 118.68 108.63 1ogy s LEU 120 Ca -0.13 1.00 -0.01 0.00 0.02 0.00 0.00 54.13 55.00 1ogy s LEU 120 Cb 0.09 -2.67 0.00 0.00 0.02 0.00 0.00 46.19 43.63 1ogy s LEU 120 CO 0.68 0.25 0.68 0.35 0.02 0.00 0.00 176.35 178.32 1ogy n THR 121 N 2.17-10.08 -0.02 5.49 -2.24 -1.26 -4.58 114.28 103.76 1ogy n THR 121 Ca -0.12 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1ogy n THR 121 Cb 0.52 -6.90 0.00 0.00 -2.10 0.00 0.00 70.33 61.85 1ogy n THR 121 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ogy n LEU 122 N -1.62 0.00 -4.86 3.22 4.77 -1.23 -4.43 117.00 112.85 1ogy n LEU 122 Ca 0.01 -0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.33 1ogy n LEU 122 Cb 0.50 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1ogy n LEU 122 CO 0.51 -0.43 0.04 -0.32 -1.33 0.00 0.00 177.39 175.87 1ogy s MET 123 N 1.68 3.76 -0.01 3.23 1.75 -1.26 -4.71 119.30 123.73 1ogy s MET 123 Ca 0.00 0.19 -0.36 0.00 -1.25 0.00 0.00 55.69 54.26 1ogy s MET 123 Cb 0.00 -3.10 -0.15 0.00 2.84 0.00 0.00 34.83 34.43 1ogy s MET 123 CO 0.00 0.63 1.58 -2.30 -0.65 0.00 0.00 175.02 174.28 1ogy n PRO 124 N 1.31 1.57 -1.61 4.11 -0.02 -1.26 -1.85 135.00 137.25 1ogy n PRO 124 Ca -0.11 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1ogy n PRO 124 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1ogy n PRO 124 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ogy n ALA 125 N 4.05 0.13 -3.69 3.55 0.00 -0.63 -4.83 120.51 119.10 1ogy n ALA 125 Ca 0.21 0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 1ogy n ALA 125 Cb 0.22 -2.07 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 1ogy n ALA 125 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ogy s SER 126 N -0.64 0.06 -0.16 0.00 1.04 -1.26 -5.01 113.70 107.73 1ogy s SER 126 Ca 0.61 0.62 -0.11 0.00 0.48 0.00 0.00 55.95 57.55 1ogy s SER 126 Cb -0.60 0.66 -0.07 0.00 0.10 0.00 0.00 66.02 66.11 1ogy s SER 126 CO 0.58 -0.21 -0.25 0.59 0.98 0.00 0.00 173.24 174.93 1ogy n ASN 127 N 4.92 1.51 0.00 7.02 3.02 -1.26 -5.06 115.26 125.41 1ogy n ASN 127 Ca -0.14 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1ogy n ASN 127 Cb 0.51 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1ogy n ASN 127 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85