#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 -0.95 2.24 0.00 -1.26 -5.01 120.51 115.52 1ogy n ALA 3 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1ogy n ALA 3 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -3.82 135.00 129.88 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 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 5.42 0.00 0.00 0.54 5.12 -1.26 -4.24 116.66 122.24 1ogy n ARG 5 Ca 0.42 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 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 0.49 117.00 121.52 1ogy n LEU 6 Ca 0.00 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 55.96 1ogy n LEU 6 Cb 0.00 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 1ogy n LEU 6 CO 0.00 -0.17 -0.94 0.35 -1.33 0.00 0.00 177.39 175.30 1ogy n THR 7 N -1.13 1.69 0.01 -5.08 -2.24 -1.26 -4.73 114.28 101.55 1ogy n THR 7 Ca 0.00 -0.65 0.03 0.00 -2.27 0.00 0.00 64.05 61.16 1ogy n THR 7 Cb 0.03 -1.58 -0.05 0.00 -2.10 0.00 0.00 70.33 66.63 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 2.03 -0.23 2.31 3.38 0.00 0.18 -5.12 105.19 107.74 1ogy n GLY 8 Ca -0.35 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.68 -1.86 -1.72 4.61 0.00 0.96 -4.88 120.51 115.95 1ogy n ALA 9 Ca -0.01 0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 1ogy n ALA 9 Cb 0.15 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.20 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 1.89 2.56 -0.77 0.00 -0.08 -1.26 -3.57 116.55 115.32 1ogy n ASP 10 Ca -0.02 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.31 1ogy n ASP 10 Cb 0.03 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 41.96 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 -0.42 0.00 0.00 -0.67 0.00 -1.26 -4.30 116.66 110.02 1ogy n ARG 11 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1ogy n ARG 11 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.88 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 -0.74 2.89 -0.04 -1.23 -2.70 135.00 133.03 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 -0.48 -0.01 0.54 2.81 -1.26 -4.87 117.12 113.86 1ogy n MET 13 Ca 0.00 0.12 -0.09 0.00 -1.81 0.00 0.00 57.70 55.91 1ogy n MET 13 Cb 0.00 -4.18 -0.03 0.00 -0.71 0.00 0.00 33.22 28.30 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 -0.75 0.00 7.83 0.87 -1.75 -3.47 113.55 116.28 1ogy h SER 14 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1ogy h SER 14 Cb 0.24 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1ogy h SER 14 CO 0.00 -0.29 0.00 1.21 -0.53 0.00 0.00 176.83 177.22 1ogy n GLU 15 N -5.37 0.00 -4.61 2.24 2.13 -1.26 -5.17 120.64 108.60 1ogy n GLU 15 Ca -0.02 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.54 1ogy n GLU 15 Cb 0.28 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.85 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 1.63 0.01 6.31 1.01 -1.26 -5.12 120.40 122.99 1ogy s VAL 16 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 60.57 1ogy s VAL 16 Cb 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.90 1ogy s VAL 16 CO 0.00 0.18 0.59 0.00 0.00 0.00 0.00 175.10 175.87 1ogy s ALA 17 N -0.82 3.51 -0.33 5.51 0.00 -1.26 -5.05 121.76 123.32 1ogy s ALA 17 Ca 0.07 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 1ogy s ALA 17 Cb -0.09 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 1ogy s ALA 17 CO 0.02 0.21 0.36 0.00 0.00 0.00 0.00 175.76 176.35 1ogy s ALA 18 N -0.39 3.50 0.87 0.00 0.00 -1.26 -4.85 121.76 119.63 1ogy s ALA 18 Ca 0.31 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 1ogy s ALA 18 Cb -0.19 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.15 1ogy s ALA 18 CO 0.18 -1.02 0.48 -2.30 0.00 0.00 0.00 175.76 173.10 1ogy n PRO 19 N 5.37 -0.08 -2.49 0.00 -0.02 -1.26 -4.92 135.00 131.60 1ogy n PRO 19 Ca -0.09 0.02 -0.36 0.00 -2.02 0.00 0.00 63.50 61.05 1ogy n PRO 19 Cb 0.50 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 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 -3.39 4.08 0.09 0.52 0.04 -1.26 -4.94 135.00 130.15 1ogy s PRO 20 Ca 0.60 1.55 -0.34 0.00 0.04 0.00 0.00 61.00 62.86 1ogy s PRO 20 Cb -0.26 -2.50 -0.18 0.00 0.04 0.00 0.00 34.50 31.60 1ogy s PRO 20 CO 0.64 -0.22 0.80 1.28 0.04 0.00 0.00 177.00 179.53 1ogy n LEU 21 N -0.18 -0.58 -4.86 -3.56 4.77 -1.26 -4.90 117.00 106.43 1ogy n LEU 21 Ca 0.06 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.85 1ogy n LEU 21 Cb 0.49 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1ogy n LEU 21 CO 0.45 -2.37 0.58 -2.84 -1.33 0.00 0.00 177.39 171.88 1ogy s PRO 22 N -0.46 3.83 -0.06 3.23 0.02 -1.26 -5.03 135.00 135.28 1ogy s PRO 22 Ca 0.77 0.71 -0.11 0.00 0.02 0.00 0.00 61.00 62.39 1ogy s PRO 22 Cb -1.09 -2.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.14 1ogy s PRO 22 CO 0.56 -0.20 0.29 -1.83 -0.33 0.00 0.00 177.00 175.48 1ogy s GLU 23 N -4.10 3.71 0.72 5.54 -1.05 -1.26 -4.87 118.70 117.40 1ogy s GLU 23 Ca 0.55 0.16 -0.16 0.00 -0.15 0.00 0.00 54.97 55.37 1ogy s GLU 23 Cb -0.10 -3.21 0.03 0.00 -0.44 0.00 0.00 34.13 30.41 1ogy s GLU 23 CO 0.34 0.72 1.26 0.99 0.95 0.00 0.00 175.26 179.52 1ogy s THR 24 N -1.02 2.00 -0.43 1.83 2.01 -1.26 -1.98 115.64 116.79 1ogy s THR 24 Ca 0.20 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 1ogy s THR 24 Cb -0.15 -2.75 0.03 0.00 0.01 0.00 0.00 72.50 69.64 1ogy s THR 24 CO 0.09 -0.00 0.41 -0.63 -0.69 0.00 0.00 174.62 173.80 1ogy s ILE 25 N -1.70 5.13 -0.90 1.82 1.01 0.70 -4.83 121.20 122.42 1ogy s ILE 25 Ca 0.79 -0.50 0.22 0.00 0.00 0.00 0.00 60.65 61.16 1ogy s ILE 25 Cb -0.34 -4.04 -0.15 0.00 0.01 0.00 0.00 42.46 37.94 1ogy s ILE 25 CO 0.45 -0.43 1.04 0.41 0.00 0.00 0.00 174.94 176.40 1ogy n THR 26 N 5.36 0.02 -1.67 2.92 -1.04 -1.26 -4.20 114.28 114.41 1ogy n THR 26 Ca -0.09 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 1ogy n THR 26 Cb 0.47 0.64 -0.03 0.00 -1.82 0.00 0.00 70.33 69.59 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 -3.20 5.45 0.00 8.00 -4.77 -1.26 -4.67 116.67 116.23 1ogy s ASP 27 Ca 0.08 1.73 0.00 0.00 -3.30 0.00 0.00 52.55 51.06 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 0.82 -1.99 0.28 0.47 0.70 0.00 0.00 175.17 175.44 1ogy n ASP 28 N 11.76 0.75 -4.58 2.11 8.00 -1.24 -4.73 116.55 128.62 1ogy n ASP 28 Ca 0.29 -0.97 -0.40 0.00 0.71 0.00 0.00 54.79 54.42 1ogy n ASP 28 Cb 0.46 -0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.44 3.80 0.67 -1.24 0.52 -1.26 -4.96 118.95 117.92 1ogy s ARG 29 Ca 0.00 -0.11 -0.17 0.00 -0.52 0.00 0.00 55.73 54.93 1ogy s ARG 29 Cb 0.00 -3.73 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 1ogy s ARG 29 CO 0.00 -0.44 1.08 0.54 0.02 0.00 0.00 175.30 176.51 1ogy n ARG 30 N 5.46 0.79 -0.11 3.54 1.74 -1.26 -4.74 116.66 122.08 1ogy n ARG 30 Ca -0.07 0.32 -0.17 0.00 -0.77 0.00 0.00 57.85 57.16 1ogy n ARG 30 Cb 0.50 -2.32 -0.13 0.00 -1.02 0.00 0.00 32.46 29.49 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 -2.15 1.51 -0.02 1.55 0.31 -1.26 -5.10 118.33 113.17 1ogy n VAL 31 Ca 0.14 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1ogy n VAL 31 Cb 0.48 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 1.10 3.32 2.92 0.00 -1.26 -4.49 105.19 108.93 1ogy n GLY 32 Ca -0.42 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 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 2.88 0.76 -0.05 1.61 3.00 -1.26 -4.71 116.66 118.88 1ogy n ARG 33 Ca 0.00 -2.95 -0.04 0.00 -0.01 0.00 0.00 57.85 54.85 1ogy n ARG 33 Cb 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 32.46 32.59 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 -1.95 1.95 -4.10 0.55 3.02 -1.26 -5.02 115.26 108.45 1ogy n ASN 34 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1ogy n ASN 34 Cb 0.54 0.92 -0.11 0.00 -0.61 0.00 0.00 39.78 40.52 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 -2.39 0.68 0.90 3.10 -0.85 -1.26 -4.54 117.35 112.98 1ogy s TYR 35 Ca -0.06 -0.78 -0.14 0.00 -0.52 0.00 0.00 57.07 55.57 1ogy s TYR 35 Cb 0.04 -0.42 0.22 0.00 0.38 0.00 0.00 41.96 42.19 1ogy s TYR 35 CO 0.51 -0.18 0.50 -2.30 -1.52 0.00 0.00 175.55 172.57 1ogy n PRO 36 N 0.62 -3.26 -0.62 -3.49 -0.02 -1.26 -2.36 135.00 124.62 1ogy n PRO 36 Ca -0.17 -0.85 -0.02 0.00 -2.02 0.00 0.00 63.50 60.44 1ogy n PRO 36 Cb 0.58 -1.18 -0.01 0.00 -0.02 0.00 0.00 33.50 32.88 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 -3.79 -1.66 -3.28 -0.52 1.02 -1.26 -4.86 120.64 106.28 1ogy n GLU 37 Ca 0.08 0.22 -0.42 0.00 -0.02 0.00 0.00 57.16 57.01 1ogy n GLU 37 Cb 0.35 -3.67 -0.08 0.00 -0.02 0.00 0.00 31.44 28.01 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 -1.30 3.26 -0.23 3.49 0.74 -0.99 -5.01 119.66 119.61 1ogy s GLN 38 Ca 0.00 -0.57 -0.37 0.00 0.05 0.00 0.00 55.36 54.47 1ogy s GLN 38 Cb 0.00 -3.92 -0.13 0.00 1.10 0.00 0.00 33.01 30.05 1ogy s GLN 38 CO 0.00 -0.81 1.89 -0.35 -0.55 0.00 0.00 175.29 175.47 1ogy n PRO 39 N 5.70 1.50 -1.55 1.67 -0.04 -1.26 -4.89 135.00 136.13 1ogy n PRO 39 Ca -0.06 0.53 -0.39 0.00 -0.04 0.00 0.00 63.50 63.54 1ogy n PRO 39 Cb 0.48 -2.37 0.04 0.00 -0.04 0.00 0.00 33.50 31.60 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 6.46 0.80 -3.38 0.54 -0.02 -1.26 -4.92 135.00 133.22 1ogy n PRO 40 Ca 0.28 0.30 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 1ogy n PRO 40 Cb 0.21 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.56 4.90 -0.42 -1.45 1.01 -1.26 -4.42 120.40 117.20 1ogy s VAL 41 Ca 0.71 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 1ogy s VAL 41 Cb -0.46 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1ogy s VAL 41 CO 0.52 -0.06 1.12 -0.63 0.00 0.00 0.00 175.10 176.05 1ogy s ILE 42 N -1.81 4.31 -1.72 2.22 1.01 0.69 -4.77 121.20 121.14 1ogy s ILE 42 Ca 0.47 1.41 0.27 0.00 0.00 0.00 0.00 60.65 62.80 1ogy s ILE 42 Cb -0.11 -4.54 0.62 0.00 0.01 0.00 0.00 42.46 38.43 1ogy s ILE 42 CO 0.21 -0.82 1.93 -0.81 0.00 0.00 0.00 174.94 175.44 1ogy n PRO 43 N 7.49 0.61 -2.26 2.79 -0.04 -1.26 -3.92 135.00 138.42 1ogy n PRO 43 Ca 0.12 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1ogy n PRO 43 Cb 0.48 -1.50 -0.01 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 0.08 -2.44 0.54 1.44 -1.26 -3.69 115.22 108.75 1ogy n HIS 44 Ca 0.16 -0.26 -0.29 0.00 -2.01 0.00 0.00 57.72 55.33 1ogy n HIS 44 Cb 0.15 -0.02 -0.00 0.00 0.12 0.00 0.00 29.99 30.24 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 -1.27 6.29 -0.05 4.39 0.15 -1.26 -4.82 113.70 117.12 1ogy s SER 45 Ca 0.01 1.10 -0.05 0.00 0.70 0.00 0.00 55.95 57.71 1ogy s SER 45 Cb 0.00 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 1ogy s SER 45 CO 0.01 -0.64 -0.11 -0.38 1.20 0.00 0.00 173.24 173.31 1ogy n ILE 46 N -2.29 0.76 0.00 6.45 5.41 -1.26 -4.98 119.36 123.45 1ogy n ILE 46 Ca 0.02 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1ogy n ILE 46 Cb 0.55 -1.69 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 -3.53 0.00 0.00 0.38 -0.58 -1.26 0.01 120.64 115.67 1ogy n GLU 47 Ca -0.13 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.70 1ogy n GLU 47 Cb 0.47 0.00 0.42 0.00 -0.57 0.00 0.00 31.44 31.76 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 -0.87 3.69 0.62 0.00 -1.26 -4.83 105.19 102.54 1ogy n GLY 48 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.61 2.56 -0.14 1.61 4.12 0.10 -4.99 117.35 117.99 1ogy s TYR 49 Ca 0.15 0.42 -0.06 0.00 0.02 0.00 0.00 57.07 57.60 1ogy s TYR 49 Cb 0.11 -3.92 -0.04 0.00 -1.52 0.00 0.00 41.96 36.59 1ogy s TYR 49 CO 0.27 -3.64 0.07 -1.14 0.02 0.00 0.00 175.55 171.13 1ogy s GLN 50 N 2.41 3.60 -0.29 -0.62 0.74 -1.26 -4.97 119.66 119.27 1ogy s GLN 50 Ca 0.72 -0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.86 1ogy s GLN 50 Cb -0.39 -3.12 0.08 0.00 1.10 0.00 0.00 33.01 30.68 1ogy s GLN 50 CO 0.32 0.52 0.01 -0.51 -0.55 0.00 0.00 175.29 175.08 1ogy s LEU 51 N -0.33 3.26 0.00 3.68 1.43 -1.25 -1.30 118.68 124.16 1ogy s LEU 51 Ca 0.09 -1.62 0.01 0.00 -1.03 0.00 0.00 54.13 51.58 1ogy s LEU 51 Cb -0.12 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 1ogy s LEU 51 CO 0.02 -0.32 0.14 -1.54 0.23 0.00 0.00 176.35 174.87 1ogy n SER 52 N 4.56 -0.37 0.24 2.29 3.41 0.17 -4.99 113.62 118.93 1ogy n SER 52 Ca -0.05 -1.67 0.08 0.00 -0.26 0.00 0.00 58.87 56.97 1ogy n SER 52 Cb 0.43 0.74 0.58 0.00 -0.26 0.00 0.00 64.21 65.70 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 1.35 0.97 0.00 -3.33 2.07 -2.05 -3.08 116.25 112.17 1ogy h VAL 53 Ca -0.09 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1ogy h VAL 53 Cb 0.40 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1ogy h VAL 53 CO 0.12 0.15 -1.60 0.59 0.02 0.00 0.00 177.57 176.84 1ogy n ASN 54 N -4.16 0.77 -3.63 0.57 3.02 -1.26 -5.02 115.26 105.56 1ogy n ASN 54 Ca -0.02 -0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.16 1ogy n ASN 54 Cb 0.23 1.64 -0.06 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 -3.15 -1.14 -0.33 5.41 0.00 -1.17 -5.11 121.76 116.28 1ogy s ALA 55 Ca -0.03 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1ogy s ALA 55 Cb 0.12 0.33 0.13 0.00 0.00 0.00 0.00 23.12 23.70 1ogy s ALA 55 CO 0.77 -0.46 0.20 1.21 0.00 0.00 0.00 175.76 177.48 1ogy s ASN 56 N -1.93 2.90 0.30 0.00 3.84 -1.25 0.42 114.94 119.22 1ogy s ASN 56 Ca -0.06 -1.68 0.06 0.00 0.21 0.00 0.00 52.86 51.39 1ogy s ASN 56 Cb -0.01 -0.21 0.74 0.00 -0.55 0.00 0.00 41.25 41.22 1ogy s ASN 56 CO -0.01 -0.36 1.76 -0.09 -2.79 0.00 0.00 177.10 175.61 1ogy h ARG 57 N 7.63 0.69 -0.77 0.43 9.65 -1.57 -2.16 114.38 128.28 1ogy h ARG 57 Ca -0.05 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.83 1ogy h ARG 57 Cb 1.00 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 29.37 1ogy h ARG 57 CO 0.33 0.46 0.47 0.00 2.80 0.00 0.00 179.97 184.03 1ogy n LEU 59 N -4.65 0.00 0.12 0.00 4.77 -0.81 -1.58 117.00 114.84 1ogy n LEU 59 Ca 0.10 0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.08 1ogy n LEU 59 Cb 0.13 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ogy n LEU 59 CO 0.32 -0.01 0.38 -0.33 -1.33 0.00 0.00 177.39 176.42 1ogy h GLU 60 N 0.00 0.00 0.00 3.23 5.08 -1.36 -3.38 114.58 118.15 1ogy h GLU 60 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1ogy h GLU 60 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ogy h GLU 60 CO 0.00 0.66 -1.46 0.00 -1.00 0.00 0.00 179.01 177.21 1ogy s HIS 62 N -2.16 3.72 0.34 0.00 3.76 -0.61 -4.76 115.29 115.58 1ogy s HIS 62 Ca -0.05 -1.95 -0.08 0.00 -0.15 0.00 0.00 55.06 52.83 1ogy s HIS 62 Cb 0.02 -3.85 0.01 0.00 1.11 0.00 0.00 32.58 29.88 1ogy s HIS 62 CO 0.25 -1.02 0.56 -0.98 -0.85 0.00 0.00 174.74 172.70 1ogy s ARG 63 N 0.32 1.93 0.00 1.40 1.70 -1.26 -4.58 118.95 118.45 1ogy s ARG 63 Ca 0.19 -1.58 0.07 0.00 -0.47 0.00 0.00 55.73 53.93 1ogy s ARG 63 Cb -0.10 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 1ogy s ARG 63 CO -0.09 -0.83 -0.22 1.03 -1.08 0.00 0.00 175.30 174.11 1ogy s ARG 64 N -3.05 1.70 -0.08 3.89 0.52 -1.26 -2.44 118.95 118.24 1ogy s ARG 64 Ca 0.25 -0.85 -0.09 0.00 -0.52 0.00 0.00 55.73 54.53 1ogy s ARG 64 Cb -0.02 -1.70 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 1ogy s ARG 64 CO 0.16 0.46 0.22 1.14 0.02 0.00 0.00 175.30 177.30 1ogy s GLN 65 N -0.72 3.57 0.00 3.54 1.03 -1.26 -5.03 119.66 120.79 1ogy s GLN 65 Ca 0.09 0.01 0.00 0.00 0.04 0.00 0.00 55.36 55.49 1ogy s GLN 65 Cb -0.09 -3.19 0.00 0.00 0.03 0.00 0.00 33.01 29.77 1ogy s GLN 65 CO -0.00 0.74 0.00 0.66 -2.54 0.00 0.00 175.29 174.15 1ogy n TYR 66 N 1.85 0.00 -1.89 9.60 4.02 -1.26 -4.74 117.16 124.73 1ogy n TYR 66 Ca -0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.65 1ogy n TYR 66 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.27 0.00 7.72 3.41 -1.26 0.87 113.62 124.09 1ogy n SER 67 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1ogy n SER 67 Cb 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 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 -0.56 3.01 3.90 5.00 0.00 -1.26 -5.03 105.19 110.25 1ogy n GLY 68 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 3.35 -0.15 0.99 1.43 0.25 -5.09 118.68 119.46 1ogy s LEU 69 Ca 0.00 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1ogy s LEU 69 Cb 0.00 -3.89 0.02 0.00 0.03 0.00 0.00 46.19 42.35 1ogy s LEU 69 CO 0.00 -0.87 -0.17 -0.69 0.23 0.00 0.00 176.35 174.85 1ogy s VAL 70 N -2.97 1.77 0.20 -1.59 1.01 -1.26 -4.42 120.40 113.13 1ogy s VAL 70 Ca 0.52 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1ogy s VAL 70 Cb -0.11 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1ogy s VAL 70 CO 0.47 0.49 0.10 0.00 0.00 0.00 0.00 175.10 176.17 1ogy s ALA 71 N 1.25 1.23 0.09 5.51 0.00 -1.26 -5.11 121.76 123.48 1ogy s ALA 71 Ca 0.01 -1.68 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 1ogy s ALA 71 Cb -0.14 1.16 -0.06 0.00 0.00 0.00 0.00 23.12 24.09 1ogy s ALA 71 CO -0.09 -0.52 1.12 0.00 0.00 0.00 0.00 175.76 176.27 1ogy s ALA 72 N -4.02 3.34 0.35 0.00 0.00 -1.26 -4.79 121.76 115.37 1ogy s ALA 72 Ca 0.35 0.77 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 1ogy s ALA 72 Cb 0.07 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1ogy s ALA 72 CO 0.10 -0.31 1.36 -1.25 0.00 0.00 0.00 175.76 175.65 1ogy s PRO 73 N 0.58 4.28 0.00 0.00 0.04 -1.26 -4.85 135.00 133.78 1ogy s PRO 73 Ca 0.54 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.91 1ogy s PRO 73 Cb -0.28 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1ogy s PRO 73 CO 0.31 -0.30 0.53 -1.33 0.04 0.00 0.00 177.00 176.26 1ogy n MET 74 N 0.69 -0.35 -3.66 4.56 2.81 -1.02 -5.01 117.12 115.14 1ogy n MET 74 Ca 0.00 -0.61 -0.15 0.00 -1.81 0.00 0.00 57.70 55.14 1ogy n MET 74 Cb 0.41 -0.96 -0.08 0.00 -0.71 0.00 0.00 33.22 31.88 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 -0.14 0.02 0.38 2.02 -4.36 -1.26 -4.37 121.20 113.48 1ogy s ILE 75 Ca 0.00 -0.14 -0.25 0.00 -0.26 0.00 0.00 60.65 60.00 1ogy s ILE 75 Cb 0.00 -0.77 -0.09 0.00 1.25 0.00 0.00 42.46 42.84 1ogy s ILE 75 CO 0.00 -0.08 1.02 -0.94 0.24 0.00 0.00 174.94 175.18 1ogy s SER 76 N -0.61 6.94 0.00 4.36 1.04 -1.26 -4.84 113.70 119.33 1ogy s SER 76 Ca -0.07 1.98 0.08 0.00 0.48 0.00 0.00 55.95 58.42 1ogy s SER 76 Cb -0.03 -2.58 0.42 0.00 0.10 0.00 0.00 66.02 63.92 1ogy s SER 76 CO 0.04 -0.36 1.13 -0.38 0.98 0.00 0.00 173.24 174.65 1ogy n ILE 77 N 0.12 0.80 0.53 -1.02 5.41 -1.26 -1.35 119.36 122.59 1ogy n ILE 77 Ca 0.04 0.20 0.10 0.00 1.00 0.00 0.00 62.75 64.09 1ogy n ILE 77 Cb 0.50 -1.07 0.41 0.00 -0.71 0.00 0.00 39.64 38.77 1ogy n ILE 77 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1ogy n THR 78 N -1.28 0.81 1.45 1.39 -2.24 -1.26 -1.10 114.28 112.05 1ogy n THR 78 Ca 0.04 0.18 0.13 0.00 -2.27 0.00 0.00 64.05 62.13 1ogy n THR 78 Cb 0.06 -0.97 0.50 0.00 -2.10 0.00 0.00 70.33 67.83 1ogy n THR 78 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ogy n HIS 79 N -1.79 0.07 1.00 4.78 8.25 -0.46 -3.28 115.22 123.80 1ogy n HIS 79 Ca 0.04 -0.04 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 1ogy n HIS 79 Cb 0.23 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 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 0.13 0.00 -2.93 4.41 0.99 -0.26 -1.48 117.46 118.32 1ogy n PHE 80 Ca 0.18 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.24 1ogy n PHE 80 Cb 0.32 -0.05 -0.06 0.00 -1.00 0.00 0.00 39.48 38.69 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 -2.99 4.63 0.54 -1.08 -0.21 -1.21 -1.51 119.66 117.84 1ogy s GLN 81 Ca 0.09 1.23 0.01 0.00 0.02 0.00 0.00 55.36 56.71 1ogy s GLN 81 Cb 0.16 -3.27 0.03 0.00 1.00 0.00 0.00 33.01 30.93 1ogy s GLN 81 CO 0.83 0.55 0.76 0.16 -2.12 0.00 0.00 175.29 175.47 1ogy s ASP 82 N -1.11 5.32 0.31 5.90 -4.77 -0.01 -4.76 116.67 117.54 1ogy s ASP 82 Ca 0.37 -0.01 -0.27 0.00 -3.30 0.00 0.00 52.55 49.34 1ogy s ASP 82 Cb -0.24 -0.91 -0.14 0.00 -1.09 0.00 0.00 42.92 40.55 1ogy s ASP 82 CO 0.27 -1.10 0.94 -1.14 0.70 0.00 0.00 175.17 174.84 1ogy n ARG 83 N -2.31 1.19 -0.34 2.11 0.63 -1.26 0.11 116.66 116.78 1ogy n ARG 83 Ca 0.08 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1ogy n ARG 83 Cb 0.60 -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 0.67 0.00 -0.39 -0.14 4.71 -1.26 -4.46 120.64 119.77 1ogy n GLU 84 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1ogy n GLU 84 Cb 0.33 -0.98 0.00 0.00 -1.01 0.00 0.00 31.44 29.78 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 0.81 3.75 0.62 0.00 0.30 -4.97 105.19 103.70 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 -1.06 0.00 0.00 0.00 173.32 172.26 1ogy n GLN 86 N -2.00 1.98 -3.42 1.61 1.13 -1.24 -4.55 117.38 110.90 1ogy n GLN 86 Ca 0.00 0.71 -0.43 0.00 -1.94 0.00 0.00 57.00 55.34 1ogy n GLN 86 Cb 0.00 -2.58 -0.09 0.00 0.11 0.00 0.00 30.24 27.68 1ogy n GLN 86 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 1ogy s MET 87 N -2.59 2.99 1.02 -1.09 1.75 -1.26 -0.83 119.30 119.28 1ogy s MET 87 Ca 0.65 -1.09 -0.12 0.00 -1.25 0.00 0.00 55.69 53.88 1ogy s MET 87 Cb -0.44 -4.03 0.20 0.00 2.84 0.00 0.00 34.83 33.40 1ogy s MET 87 CO 0.54 -0.86 1.08 -0.51 -0.65 0.00 0.00 175.02 174.63 1ogy s LEU 88 N 1.74 1.50 -0.12 4.11 1.43 -0.57 -4.93 118.68 121.84 1ogy s LEU 88 Ca 0.06 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.42 1ogy s LEU 88 Cb -0.20 -3.39 0.23 0.00 0.03 0.00 0.00 46.19 42.86 1ogy s LEU 88 CO 0.09 -3.29 1.14 0.00 0.23 0.00 0.00 176.35 174.53 1ogy n ALA 89 N -4.28 3.28 0.00 4.21 0.00 -1.26 -4.86 120.51 117.59 1ogy n ALA 89 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1ogy n ALA 89 Cb 0.57 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 0.06 0.00 -4.52 0.00 2.03 -1.26 -5.13 116.55 107.73 1ogy n ASP 90 Ca 0.15 0.00 -0.56 0.00 0.52 0.00 0.00 54.79 54.91 1ogy n ASP 90 Cb 0.75 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.09 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 -0.45 0.25 -2.82 5.18 0.31 -1.26 -4.65 118.33 114.89 1ogy n VAL 91 Ca 0.00 -0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 63.96 1ogy n VAL 91 Cb 0.00 -0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 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 0.03 6.59 0.51 4.52 1.04 -0.55 -4.94 113.70 120.90 1ogy s SER 92 Ca 0.86 1.25 0.18 0.00 0.48 0.00 0.00 55.95 58.72 1ogy s SER 92 Cb -1.13 -2.37 1.27 0.00 0.10 0.00 0.00 66.02 63.88 1ogy s SER 92 CO 0.54 -0.40 2.08 -0.65 0.98 0.00 0.00 173.24 175.79 1ogy h PRO 93 N 1.38 0.06 -6.84 4.02 0.11 -1.91 -3.28 132.00 125.54 1ogy h PRO 93 Ca -0.47 -0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.14 1ogy h PRO 93 Cb 1.18 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ogy h PRO 93 CO 0.64 0.04 0.43 -0.98 -0.21 0.00 0.00 178.00 177.91 1ogy s ARG 94 N -5.10 4.58 0.00 1.05 1.70 -1.26 -1.82 118.95 118.09 1ogy s ARG 94 Ca -0.05 1.64 0.00 0.00 -0.47 0.00 0.00 55.73 56.85 1ogy s ARG 94 Cb 0.18 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.52 1ogy s ARG 94 CO 0.70 0.20 0.00 0.54 -1.08 0.00 0.00 175.30 175.66 1ogy n ARG 95 N 0.93 0.00 0.02 3.89 5.12 -1.26 -4.93 116.66 120.43 1ogy n ARG 95 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 1ogy n ARG 95 Cb 0.47 -0.22 -0.04 0.00 -1.16 0.00 0.00 32.46 31.51 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 -0.44 -2.06 -1.55 3.20 -1.42 -3.29 116.97 111.41 1ogy h TYR 96 Ca 0.00 0.02 -0.60 0.00 3.14 0.00 0.00 58.73 61.29 1ogy h TYR 96 Cb 0.00 0.21 -0.11 0.00 1.54 0.00 0.00 36.73 38.36 1ogy h TYR 96 CO 0.00 -0.24 1.05 -0.06 -1.64 0.00 0.00 178.16 177.27 1ogy s PHE 97 N -6.13 2.55 0.05 -3.82 0.40 -1.26 -4.82 117.98 104.95 1ogy s PHE 97 Ca -0.15 -0.56 -0.21 0.00 -0.60 0.00 0.00 56.93 55.41 1ogy s PHE 97 Cb 0.10 -4.53 -0.13 0.00 0.51 0.00 0.00 43.02 38.96 1ogy s PHE 97 CO 0.67 -1.87 1.42 0.00 0.70 0.00 0.00 175.22 176.14 1ogy n THR 99 N -4.67 0.36 0.11 0.00 -2.24 -1.26 0.39 114.28 106.98 1ogy n THR 99 Ca -0.06 0.54 -0.03 0.00 -2.27 0.00 0.00 64.05 62.23 1ogy n THR 99 Cb 0.28 -1.54 0.05 0.00 -2.10 0.00 0.00 70.33 67.02 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 0.39 0.69 0.00 6.98 0.00 -1.96 -3.39 119.26 121.97 1ogy h ALA 100 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 1ogy h ALA 100 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1ogy h ALA 100 CO 0.00 0.93 -1.45 0.00 0.00 0.00 0.00 179.25 178.72 1ogy s HIS 102 N -2.16 3.34 -0.05 0.00 3.76 -0.95 -4.88 115.29 114.35 1ogy s HIS 102 Ca -0.11 0.96 0.05 0.00 -0.15 0.00 0.00 55.06 55.81 1ogy s HIS 102 Cb 0.03 -2.87 -0.02 0.00 1.11 0.00 0.00 32.58 30.83 1ogy s HIS 102 CO 0.17 -0.26 -0.20 0.08 -0.85 0.00 0.00 174.74 173.68 1ogy s VAL 103 N 2.26 2.58 0.87 -0.90 1.01 -1.26 -4.38 120.40 120.57 1ogy s VAL 103 Ca 0.30 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1ogy s VAL 103 Cb -0.16 -1.98 0.17 0.00 0.00 0.00 0.00 36.38 34.42 1ogy s VAL 103 CO 0.09 0.58 1.19 -2.16 0.00 0.00 0.00 175.10 174.81 1ogy s PRO 104 N -0.45 1.04 0.04 2.72 0.04 -1.26 -0.22 135.00 136.90 1ogy s PRO 104 Ca 0.05 -0.69 -0.01 0.00 0.04 0.00 0.00 61.00 60.39 1ogy s PRO 104 Cb -0.12 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1ogy s PRO 104 CO 0.01 -2.04 -0.02 -0.65 0.04 0.00 0.00 177.00 174.35 1ogy s GLN 105 N -5.60 0.49 0.51 4.56 -0.21 -1.25 -4.79 119.66 113.36 1ogy s GLN 105 Ca 0.71 -0.93 0.03 0.00 0.02 0.00 0.00 55.36 55.19 1ogy s GLN 105 Cb -0.04 0.17 -0.00 0.00 1.00 0.00 0.00 33.01 34.14 1ogy s GLN 105 CO 0.50 -0.09 0.16 0.95 -2.12 0.00 0.00 175.29 174.69 1ogy s THR 106 N -2.81 1.47 -0.71 -0.19 -4.23 -1.26 -0.22 115.64 107.70 1ogy s THR 106 Ca -0.03 -1.79 -0.22 0.00 -1.18 0.00 0.00 61.69 58.47 1ogy s THR 106 Cb -0.00 -2.26 0.08 0.00 1.34 0.00 0.00 72.50 71.65 1ogy s THR 106 CO -0.06 0.00 1.01 0.21 -0.54 0.00 0.00 174.62 175.24 1ogy s ASN 107 N -4.02 6.25 -0.04 3.99 2.47 -0.84 -4.84 114.94 117.92 1ogy s ASN 107 Ca 0.20 -1.14 -0.02 0.00 0.42 0.00 0.00 52.86 52.32 1ogy s ASN 107 Cb 0.01 -2.42 0.02 0.00 -1.45 0.00 0.00 41.25 37.41 1ogy s ASN 107 CO 0.12 -1.40 0.08 0.00 -3.72 0.00 0.00 177.10 172.18 1ogy s ALA 108 N 3.92 -0.13 -0.22 1.71 0.00 -1.26 -4.60 121.76 121.18 1ogy s ALA 108 Ca 0.24 0.40 -0.24 0.00 0.00 0.00 0.00 51.96 52.37 1ogy s ALA 108 Cb -0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1ogy s ALA 108 CO 0.07 -0.10 0.78 -0.65 0.00 0.00 0.00 175.76 175.86 1ogy s GLN 109 N 0.74 4.21 0.17 0.00 -0.21 -1.26 -4.99 119.66 118.33 1ogy s GLN 109 Ca -0.06 0.88 -0.33 0.00 0.02 0.00 0.00 55.36 55.86 1ogy s GLN 109 Cb -0.08 -3.62 -0.14 0.00 1.00 0.00 0.00 33.01 30.17 1ogy s GLN 109 CO -0.03 -0.41 1.46 -2.30 -2.12 0.00 0.00 175.29 171.88 1ogy n PRO 110 N 5.62 1.89 0.00 2.91 -0.02 -1.26 -4.81 135.00 139.33 1ogy n PRO 110 Ca 0.04 0.68 0.06 0.00 -2.02 0.00 0.00 63.50 62.26 1ogy n PRO 110 Cb 0.48 -2.37 0.28 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.78 0.00 -3.63 2.45 4.77 -1.26 -4.69 117.00 117.42 1ogy n LEU 111 Ca 0.15 0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 56.48 1ogy n LEU 111 Cb 0.28 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1ogy n LEU 111 CO 0.63 -0.26 0.52 -0.69 -1.33 0.00 0.00 177.39 176.26 1ogy s VAL 112 N -2.93 0.00 0.51 4.08 1.01 -1.26 -5.08 120.40 116.72 1ogy s VAL 112 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 1ogy s VAL 112 Cb 0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 1ogy s VAL 112 CO 0.23 0.00 1.09 0.42 0.00 0.00 0.00 175.10 176.84 1ogy s THR 113 N 0.48 3.46 -0.24 3.92 -4.23 -1.26 -5.02 115.64 112.75 1ogy s THR 113 Ca -0.00 0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 61.39 1ogy s THR 113 Cb -0.05 -3.39 -0.00 0.00 1.34 0.00 0.00 72.50 70.40 1ogy s THR 113 CO -0.04 -0.18 -0.01 0.21 -0.54 0.00 0.00 174.62 174.07 1ogy s ASN 114 N -1.83 4.56 -0.13 3.99 3.84 -1.26 -5.00 114.94 119.12 1ogy s ASN 114 Ca 0.69 -0.48 0.00 0.00 0.21 0.00 0.00 52.86 53.29 1ogy s ASN 114 Cb -0.21 -1.78 0.13 0.00 -0.55 0.00 0.00 41.25 38.84 1ogy s ASN 114 CO 0.24 -0.06 1.60 -0.62 -2.79 0.00 0.00 177.10 175.47 1ogy n GLU 115 N 4.81 1.34 -2.19 0.43 1.02 -1.26 -4.82 120.64 119.98 1ogy n GLU 115 Ca -0.17 -0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 55.82 1ogy n GLU 115 Cb 0.50 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.60 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 -0.84 3.22 0.12 -0.32 5.36 -1.26 -4.87 117.98 119.39 1ogy s PHE 116 Ca 0.14 1.20 0.04 0.00 -0.96 0.00 0.00 56.93 57.36 1ogy s PHE 116 Cb 0.12 -3.63 -0.04 0.00 -0.34 0.00 0.00 43.02 39.12 1ogy s PHE 116 CO 0.01 -1.98 0.09 1.03 -1.46 0.00 0.00 175.22 172.91 1ogy s ARG 117 N -0.22 2.81 0.42 10.12 1.81 -1.26 -1.32 118.95 131.32 1ogy s ARG 117 Ca 0.57 -0.82 -0.22 0.00 -1.72 0.00 0.00 55.73 53.54 1ogy s ARG 117 Cb -0.37 -2.64 -0.10 0.00 -0.45 0.00 0.00 34.95 31.39 1ogy s ARG 117 CO 0.39 0.52 0.99 0.34 -0.68 0.00 0.00 175.30 176.86 1ogy s ASP 118 N -2.73 6.82 0.14 0.23 2.15 -0.74 -4.78 116.67 117.77 1ogy s ASP 118 Ca 0.29 1.84 -0.17 0.00 0.43 0.00 0.00 52.55 54.94 1ogy s ASP 118 Cb -0.11 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.96 1ogy s ASP 118 CO 0.22 -0.44 1.77 0.24 -0.17 0.00 0.00 175.17 176.78 1ogy h MET 119 N 2.15 0.30 -5.83 4.34 2.86 -1.92 -3.26 114.93 113.57 1ogy h MET 119 Ca -0.49 -0.02 -0.60 0.00 -2.06 0.00 0.00 59.70 56.53 1ogy h MET 119 Cb 1.20 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.72 1ogy h MET 119 CO 0.61 0.20 -0.24 -0.51 1.06 0.00 0.00 176.91 178.03 1ogy s LEU 120 N -10.25 4.39 -0.68 1.22 1.02 -1.26 -4.50 118.68 108.62 1ogy s LEU 120 Ca -0.13 0.80 -0.01 0.00 0.02 0.00 0.00 54.13 54.82 1ogy s LEU 120 Cb 0.11 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.80 1ogy s LEU 120 CO 0.71 0.23 0.65 0.35 0.02 0.00 0.00 176.35 178.31 1ogy n THR 121 N 2.51 -9.61 -0.03 5.49 -2.24 -1.26 -4.58 114.28 104.55 1ogy n THR 121 Ca -0.13 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1ogy n THR 121 Cb 0.52 -6.73 0.00 0.00 -2.10 0.00 0.00 70.33 62.03 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 -1.65 0.00 -4.86 3.22 4.77 -1.23 -4.47 117.00 112.79 1ogy n LEU 122 Ca 0.01 -0.32 -0.36 0.00 -0.03 0.00 0.00 56.01 55.31 1ogy n LEU 122 Cb 0.50 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1ogy n LEU 122 CO 0.49 -0.44 0.07 -0.32 -1.33 0.00 0.00 177.39 175.86 1ogy s MET 123 N 1.72 3.80 -0.03 3.23 1.75 -1.26 -4.73 119.30 123.78 1ogy s MET 123 Ca 0.00 0.25 -0.36 0.00 -1.25 0.00 0.00 55.69 54.33 1ogy s MET 123 Cb 0.00 -3.10 -0.15 0.00 2.84 0.00 0.00 34.83 34.42 1ogy s MET 123 CO 0.00 0.63 1.62 -2.30 -0.65 0.00 0.00 175.02 174.32 1ogy n PRO 124 N 1.35 1.58 -1.63 4.11 -0.02 -1.26 -1.79 135.00 137.34 1ogy n PRO 124 Ca -0.11 0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 61.50 1ogy n PRO 124 Cb 0.52 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 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 4.37 0.37 -3.68 3.55 0.00 -0.43 -4.84 120.51 119.85 1ogy n ALA 125 Ca 0.21 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.89 1ogy n ALA 125 Cb 0.22 -2.12 -0.14 0.00 0.00 0.00 0.00 19.45 17.40 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 -0.34 0.39 -0.19 0.00 1.04 -1.26 -5.01 113.70 108.34 1ogy s SER 126 Ca 0.60 0.46 -0.12 0.00 0.48 0.00 0.00 55.95 57.37 1ogy s SER 126 Cb -0.66 0.46 -0.08 0.00 0.10 0.00 0.00 66.02 65.84 1ogy s SER 126 CO 0.59 -0.23 -0.28 0.59 0.98 0.00 0.00 173.24 174.89 1ogy n ASN 127 N 5.12 1.64 0.00 7.02 3.02 -1.26 -5.07 115.26 125.73 1ogy n ASN 127 Ca -0.09 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1ogy n ASN 127 Cb 0.50 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1ogy n ASN 127 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85