#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 -0.97 2.24 0.00 -1.26 -5.01 120.51 115.51 1ogy n ALA 3 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 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 -3.81 135.00 129.89 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 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 5.52 0.00 0.00 0.54 5.12 -1.26 -4.28 116.66 122.30 1ogy n ARG 5 Ca 0.43 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 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 -0.02 0.55 4.77 -1.25 0.39 117.00 121.44 1ogy n LEU 6 Ca 0.00 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.94 1ogy n LEU 6 Cb 0.00 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 40.79 1ogy n LEU 6 CO 0.00 -0.17 -0.91 0.35 -1.33 0.00 0.00 177.39 175.33 1ogy n THR 7 N -1.12 1.73 0.00 -5.08 -2.24 -1.26 -4.74 114.28 101.56 1ogy n THR 7 Ca 0.00 -0.63 0.04 0.00 -2.27 0.00 0.00 64.05 61.18 1ogy n THR 7 Cb 0.03 -1.68 -0.06 0.00 -2.10 0.00 0.00 70.33 66.52 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 2.04 -0.34 2.33 3.38 0.00 0.16 -5.12 105.19 107.64 1ogy n GLY 8 Ca -0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.76 -1.93 -1.74 4.61 0.00 0.58 -4.87 120.51 115.41 1ogy n ALA 9 Ca -0.01 0.51 -0.39 0.00 0.00 0.00 0.00 53.44 53.54 1ogy n ALA 9 Cb 0.20 -1.49 0.03 0.00 0.00 0.00 0.00 19.45 18.19 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 1.88 2.82 -0.76 0.00 -0.08 -1.26 -3.57 116.55 115.58 1ogy n ASP 10 Ca -0.02 1.03 0.00 0.00 -1.51 0.00 0.00 54.79 54.29 1ogy n ASP 10 Cb 0.03 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 41.92 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 -0.64 0.00 -0.08 -0.67 0.00 -1.26 -4.27 116.66 109.74 1ogy n ARG 11 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.90 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 -0.13 0.00 -0.70 2.89 -0.04 -1.23 -2.69 135.00 133.09 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 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.07 -0.17 0.04 0.54 2.81 -1.26 -4.87 117.12 114.28 1ogy n MET 13 Ca 0.01 0.04 -0.12 0.00 -1.81 0.00 0.00 57.70 55.82 1ogy n MET 13 Cb 0.01 -3.91 -0.06 0.00 -0.71 0.00 0.00 33.22 28.55 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 -1.18 0.00 7.83 0.87 -1.75 -3.47 113.55 115.85 1ogy h SER 14 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1ogy h SER 14 Cb 0.08 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1ogy h SER 14 CO 0.00 -0.43 0.00 1.21 -0.53 0.00 0.00 176.83 177.08 1ogy n GLU 15 N -5.44 0.00 -4.66 2.24 2.13 -1.26 -5.17 120.64 108.48 1ogy n GLU 15 Ca -0.05 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.52 1ogy n GLU 15 Cb 0.36 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.92 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 1.58 0.04 6.31 1.01 -1.26 -5.12 120.40 122.96 1ogy s VAL 16 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 61.98 60.66 1ogy s VAL 16 Cb 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 1ogy s VAL 16 CO 0.00 0.22 0.61 0.00 0.00 0.00 0.00 175.10 175.93 1ogy s ALA 17 N -0.74 3.52 -0.34 5.51 0.00 -1.26 -5.04 121.76 123.41 1ogy s ALA 17 Ca 0.07 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 1ogy s ALA 17 Cb -0.08 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 1ogy s ALA 17 CO 0.01 0.26 0.33 0.00 0.00 0.00 0.00 175.76 176.36 1ogy s ALA 18 N -0.60 3.50 0.95 0.00 0.00 -1.26 -4.85 121.76 119.50 1ogy s ALA 18 Ca 0.31 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 1ogy s ALA 18 Cb -0.19 -2.77 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1ogy s ALA 18 CO 0.19 -1.03 0.39 -2.30 0.00 0.00 0.00 175.76 173.01 1ogy n PRO 19 N 5.30 -0.30 -2.59 0.00 -0.02 -1.26 -4.93 135.00 131.20 1ogy n PRO 19 Ca -0.10 -0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 60.99 1ogy n PRO 19 Cb 0.49 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.09 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 -3.62 3.95 0.10 0.52 0.04 -1.26 -4.94 135.00 129.80 1ogy s PRO 20 Ca 0.57 1.35 -0.35 0.00 0.04 0.00 0.00 61.00 62.61 1ogy s PRO 20 Cb -0.21 -2.20 -0.18 0.00 0.04 0.00 0.00 34.50 31.95 1ogy s PRO 20 CO 0.68 -0.30 0.98 1.28 0.04 0.00 0.00 177.00 179.68 1ogy n LEU 21 N -0.72 0.25 -4.85 -3.56 4.77 -1.26 -4.91 117.00 106.73 1ogy n LEU 21 Ca 0.08 1.14 -0.32 0.00 -0.03 0.00 0.00 56.01 56.89 1ogy n LEU 21 Cb 0.52 -1.03 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1ogy n LEU 21 CO 0.40 -1.93 0.62 -2.84 -1.33 0.00 0.00 177.39 172.31 1ogy s PRO 22 N -0.32 3.95 -0.07 3.23 0.02 -1.26 -5.02 135.00 135.52 1ogy s PRO 22 Ca 0.79 0.87 -0.12 0.00 0.02 0.00 0.00 61.00 62.56 1ogy s PRO 22 Cb -1.04 -2.20 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 1ogy s PRO 22 CO 0.55 -0.18 0.30 -1.83 -0.33 0.00 0.00 177.00 175.50 1ogy s GLU 23 N -3.88 3.83 0.73 5.54 -1.05 -1.26 -4.88 118.70 117.72 1ogy s GLU 23 Ca 0.58 0.17 -0.16 0.00 -0.15 0.00 0.00 54.97 55.41 1ogy s GLU 23 Cb -0.10 -3.25 0.02 0.00 -0.44 0.00 0.00 34.13 30.36 1ogy s GLU 23 CO 0.29 0.63 1.08 2.41 0.95 0.00 0.00 175.26 180.61 1ogy n THR 24 N 2.23 3.02 -3.38 1.83 -1.04 -1.26 -2.33 114.28 113.34 1ogy n THR 24 Ca -0.16 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.05 61.06 1ogy n THR 24 Cb 0.53 -1.19 -0.09 0.00 -1.82 0.00 0.00 70.33 67.76 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 -1.81 5.18 -1.30 12.58 1.01 0.43 -4.83 121.20 132.45 1ogy s ILE 25 Ca 0.75 -0.64 0.23 0.00 0.00 0.00 0.00 60.65 60.99 1ogy s ILE 25 Cb -0.34 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 1ogy s ILE 25 CO 0.49 -0.43 1.11 0.41 0.00 0.00 0.00 174.94 176.52 1ogy n THR 26 N 5.28 0.00 -1.78 2.92 -1.04 -1.26 -4.16 114.28 114.25 1ogy n THR 26 Ca -0.10 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.42 1ogy n THR 26 Cb 0.46 0.85 -0.03 0.00 -1.82 0.00 0.00 70.33 69.79 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 -2.84 5.58 0.00 8.00 -4.77 -1.25 -4.67 116.67 116.72 1ogy s ASP 27 Ca 0.12 1.58 0.00 0.00 -3.30 0.00 0.00 52.55 50.95 1ogy s ASP 27 Cb 0.17 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.48 1ogy s ASP 27 CO 0.74 -1.91 0.16 0.47 0.70 0.00 0.00 175.17 175.33 1ogy n ASP 28 N 11.33 0.46 -4.61 2.11 8.00 -1.24 -4.73 116.55 127.88 1ogy n ASP 28 Ca 0.27 -0.66 -0.40 0.00 0.71 0.00 0.00 54.79 54.71 1ogy n ASP 28 Cb 0.46 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.30 4.04 0.68 -1.24 0.52 -1.26 -4.96 118.95 118.02 1ogy s ARG 29 Ca 0.00 0.20 -0.17 0.00 -0.52 0.00 0.00 55.73 55.24 1ogy s ARG 29 Cb 0.00 -3.66 0.01 0.00 0.52 0.00 0.00 34.95 31.82 1ogy s ARG 29 CO 0.00 -0.33 1.28 0.54 0.02 0.00 0.00 175.30 176.81 1ogy n ARG 30 N 5.46 0.96 -0.10 3.54 1.74 -1.26 -4.72 116.66 122.28 1ogy n ARG 30 Ca -0.06 0.39 -0.18 0.00 -0.77 0.00 0.00 57.85 57.23 1ogy n ARG 30 Cb 0.50 -2.52 -0.13 0.00 -1.02 0.00 0.00 32.46 29.29 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 1.54 0.00 1.55 0.31 -1.26 -5.09 118.33 113.22 1ogy n VAL 31 Ca 0.16 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1ogy n VAL 31 Cb 0.48 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 2.18 1.48 3.91 2.92 0.00 -1.26 -4.48 105.19 109.95 1ogy n GLY 32 Ca -0.43 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 1ogy n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ogy s ARG 33 N -3.11 2.24 -0.13 1.61 3.00 -1.26 -4.73 118.95 116.57 1ogy s ARG 33 Ca 0.00 -2.06 0.13 0.00 0.00 0.00 0.00 55.73 53.80 1ogy s ARG 33 Cb 0.00 -2.08 -0.19 0.00 0.00 0.00 0.00 34.95 32.68 1ogy s ARG 33 CO 0.00 -0.67 0.09 0.09 0.00 0.00 0.00 175.30 174.81 1ogy n ASN 34 N -1.80 1.41 -4.09 0.23 3.02 -1.26 -5.02 115.26 107.74 1ogy n ASN 34 Ca -0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.44 1ogy n ASN 34 Cb 0.64 0.97 -0.10 0.00 -0.61 0.00 0.00 39.78 40.68 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 -2.44 0.60 0.87 3.10 -0.85 -1.26 -4.52 117.35 112.85 1ogy s TYR 35 Ca -0.07 -0.88 -0.14 0.00 -0.52 0.00 0.00 57.07 55.45 1ogy s TYR 35 Cb 0.05 -0.40 0.23 0.00 0.38 0.00 0.00 41.96 42.22 1ogy s TYR 35 CO 0.60 -0.25 0.51 -2.30 -1.52 0.00 0.00 175.55 172.59 1ogy n PRO 36 N 0.44 -3.66 -0.36 -3.49 -0.02 -1.26 -2.35 135.00 124.29 1ogy n PRO 36 Ca -0.16 -0.86 -0.00 0.00 -2.02 0.00 0.00 63.50 60.46 1ogy n PRO 36 Cb 0.59 -1.13 -0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 -4.20 -1.93 -3.17 -0.52 1.02 -1.26 -4.86 120.64 105.72 1ogy n GLU 37 Ca 0.08 0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.96 1ogy n GLU 37 Cb 0.35 -3.33 -0.07 0.00 -0.02 0.00 0.00 31.44 28.37 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 -0.74 3.44 -0.14 3.49 0.74 -0.99 -5.00 119.66 120.46 1ogy s GLN 38 Ca 0.00 -0.27 -0.37 0.00 0.05 0.00 0.00 55.36 54.78 1ogy s GLN 38 Cb 0.00 -3.88 -0.14 0.00 1.10 0.00 0.00 33.01 30.09 1ogy s GLN 38 CO 0.00 -0.83 1.77 -0.35 -0.55 0.00 0.00 175.29 175.33 1ogy n PRO 39 N 5.99 1.69 -1.42 1.67 -0.04 -1.26 -4.91 135.00 136.72 1ogy n PRO 39 Ca -0.03 0.62 -0.36 0.00 -0.04 0.00 0.00 63.50 63.69 1ogy n PRO 39 Cb 0.48 -2.38 0.08 0.00 -0.04 0.00 0.00 33.50 31.64 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 5.65 0.60 -3.61 0.54 -0.02 -1.26 -4.92 135.00 131.98 1ogy n PRO 40 Ca 0.24 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.66 1ogy n PRO 40 Cb 0.22 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.74 5.11 -0.39 -1.45 1.01 -1.26 -4.33 120.40 117.35 1ogy s VAL 41 Ca 0.74 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 1ogy s VAL 41 Cb -0.36 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1ogy s VAL 41 CO 0.49 0.04 1.10 -0.63 0.00 0.00 0.00 175.10 176.10 1ogy s ILE 42 N -1.67 4.38 -1.96 2.22 1.01 0.61 -4.76 121.20 121.04 1ogy s ILE 42 Ca 0.41 1.50 0.30 0.00 0.00 0.00 0.00 60.65 62.86 1ogy s ILE 42 Cb -0.12 -4.50 0.82 0.00 0.01 0.00 0.00 42.46 38.68 1ogy s ILE 42 CO 0.23 -0.71 2.10 -0.81 0.00 0.00 0.00 174.94 175.75 1ogy n PRO 43 N 7.29 0.90 -2.58 2.79 -0.04 -1.26 -3.91 135.00 138.18 1ogy n PRO 43 Ca 0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1ogy n PRO 43 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.02 0.12 -2.41 0.54 1.44 -1.26 -3.61 115.22 109.02 1ogy n HIS 44 Ca 0.22 -0.60 -0.28 0.00 -2.01 0.00 0.00 57.72 55.04 1ogy n HIS 44 Cb 0.11 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.19 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 -1.61 6.23 -0.07 4.39 0.15 -1.26 -4.82 113.70 116.71 1ogy s SER 45 Ca 0.03 1.06 -0.06 0.00 0.70 0.00 0.00 55.95 57.68 1ogy s SER 45 Cb 0.00 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 1ogy s SER 45 CO 0.02 -0.68 -0.14 -0.38 1.20 0.00 0.00 173.24 173.26 1ogy n ILE 46 N -2.41 0.91 0.00 6.45 5.41 -1.26 -4.99 119.36 123.48 1ogy n ILE 46 Ca 0.02 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1ogy n ILE 46 Cb 0.55 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 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 -3.65 0.00 0.00 0.38 -0.58 -1.26 -0.16 120.64 115.36 1ogy n GLU 47 Ca -0.15 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.67 1ogy n GLU 47 Cb 0.47 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.71 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 -0.86 3.68 0.62 0.00 -1.26 -4.82 105.19 102.55 1ogy n GLY 48 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.68 2.35 -0.14 1.61 4.12 0.77 -4.99 117.35 118.38 1ogy s TYR 49 Ca 0.13 0.33 -0.06 0.00 0.02 0.00 0.00 57.07 57.49 1ogy s TYR 49 Cb 0.10 -3.92 -0.04 0.00 -1.52 0.00 0.00 41.96 36.58 1ogy s TYR 49 CO 0.25 -3.73 0.08 -1.14 0.02 0.00 0.00 175.55 171.03 1ogy s GLN 50 N 2.97 3.55 -0.29 -0.62 0.74 -1.26 -4.96 119.66 119.78 1ogy s GLN 50 Ca 0.73 -0.28 0.02 0.00 0.05 0.00 0.00 55.36 55.88 1ogy s GLN 50 Cb -0.37 -3.11 0.08 0.00 1.10 0.00 0.00 33.01 30.71 1ogy s GLN 50 CO 0.31 0.56 0.01 -0.51 -0.55 0.00 0.00 175.29 175.11 1ogy s LEU 51 N -0.44 3.26 0.00 3.68 1.43 -1.26 -1.34 118.68 124.01 1ogy s LEU 51 Ca 0.10 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 1ogy s LEU 51 Cb -0.12 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 1ogy s LEU 51 CO 0.02 -0.32 0.10 -1.54 0.23 0.00 0.00 176.35 174.84 1ogy n SER 52 N 4.56 -0.27 0.21 2.29 3.41 0.13 -4.99 113.62 118.96 1ogy n SER 52 Ca -0.05 -1.50 0.05 0.00 -0.26 0.00 0.00 58.87 57.11 1ogy n SER 52 Cb 0.43 0.54 0.47 0.00 -0.26 0.00 0.00 64.21 65.39 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 1.26 1.13 0.00 -3.33 2.07 -2.05 -3.09 116.25 112.24 1ogy h VAL 53 Ca -0.06 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1ogy h VAL 53 Cb 0.29 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1ogy h VAL 53 CO 0.09 0.24 -1.68 0.59 0.02 0.00 0.00 177.57 176.83 1ogy n ASN 54 N -4.18 0.41 -3.65 0.57 3.02 -1.26 -5.02 115.26 105.15 1ogy n ASN 54 Ca -0.02 -0.28 -0.14 0.00 -0.03 0.00 0.00 54.58 54.11 1ogy n ASN 54 Cb 0.30 1.69 -0.07 0.00 -0.61 0.00 0.00 39.78 41.09 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 -3.31 -1.14 -0.33 5.41 0.00 -1.17 -5.11 121.76 116.12 1ogy s ALA 55 Ca -0.03 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 1ogy s ALA 55 Cb 0.14 0.24 0.12 0.00 0.00 0.00 0.00 23.12 23.61 1ogy s ALA 55 CO 0.87 -0.41 0.17 1.21 0.00 0.00 0.00 175.76 177.59 1ogy s ASN 56 N -1.71 3.39 0.32 0.00 3.84 -1.25 0.20 114.94 119.73 1ogy s ASN 56 Ca -0.08 -1.79 0.08 0.00 0.21 0.00 0.00 52.86 51.28 1ogy s ASN 56 Cb -0.02 -0.49 0.79 0.00 -0.55 0.00 0.00 41.25 40.98 1ogy s ASN 56 CO 0.01 -0.37 1.80 -0.09 -2.79 0.00 0.00 177.10 175.66 1ogy h ARG 57 N 7.69 0.70 -0.09 0.43 9.65 -1.58 -2.65 114.38 128.54 1ogy h ARG 57 Ca -0.08 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1ogy h ARG 57 Cb 0.99 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.39 1ogy h ARG 57 CO 0.38 0.46 -0.03 0.00 2.80 0.00 0.00 179.97 183.58 1ogy n LEU 59 N -5.15 0.00 0.12 0.00 4.77 -1.00 -0.33 117.00 115.41 1ogy n LEU 59 Ca -0.05 0.10 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1ogy n LEU 59 Cb 0.09 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1ogy n LEU 59 CO 0.29 -0.09 0.32 -0.33 -1.33 0.00 0.00 177.39 176.25 1ogy h GLU 60 N 0.00 0.00 0.00 3.23 5.08 -1.42 -3.37 114.58 118.10 1ogy h GLU 60 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ogy h GLU 60 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ogy h GLU 60 CO 0.00 0.41 -1.10 0.00 -1.00 0.00 0.00 179.01 177.32 1ogy s HIS 62 N -2.05 3.54 0.35 0.00 3.76 0.54 -4.80 115.29 116.64 1ogy s HIS 62 Ca -0.01 -1.84 -0.07 0.00 -0.15 0.00 0.00 55.06 52.99 1ogy s HIS 62 Cb 0.01 -3.72 0.02 0.00 1.11 0.00 0.00 32.58 30.00 1ogy s HIS 62 CO 0.06 -0.99 0.58 -0.98 -0.85 0.00 0.00 174.74 172.57 1ogy s ARG 63 N 0.70 2.00 -0.02 1.40 1.70 -1.26 -4.47 118.95 119.00 1ogy s ARG 63 Ca 0.12 -1.63 0.07 0.00 -0.47 0.00 0.00 55.73 53.83 1ogy s ARG 63 Cb -0.19 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 1ogy s ARG 63 CO -0.04 -0.87 -0.24 1.03 -1.08 0.00 0.00 175.30 174.10 1ogy s ARG 64 N -2.86 1.95 -0.06 3.89 0.52 -1.26 -2.43 118.95 118.71 1ogy s ARG 64 Ca 0.25 -0.86 -0.10 0.00 -0.52 0.00 0.00 55.73 54.50 1ogy s ARG 64 Cb -0.02 -1.88 -0.05 0.00 0.52 0.00 0.00 34.95 33.52 1ogy s ARG 64 CO 0.17 0.51 0.26 1.14 0.02 0.00 0.00 175.30 177.40 1ogy s GLN 65 N -0.56 3.64 0.00 3.54 1.03 -1.26 -5.03 119.66 121.02 1ogy s GLN 65 Ca 0.09 0.09 0.00 0.00 0.04 0.00 0.00 55.36 55.58 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 -0.01 0.73 0.00 0.66 -2.54 0.00 0.00 175.29 174.13 1ogy n TYR 66 N 1.80 0.00 -1.95 9.60 4.02 -1.26 -4.74 117.16 124.62 1ogy n TYR 66 Ca -0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.67 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 -0.24 0.00 7.72 3.41 -1.26 0.78 113.62 124.03 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 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.60 3.11 3.90 5.00 0.00 -1.26 -5.03 105.19 110.31 1ogy n GLY 68 Ca 0.01 0.00 -0.28 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 3.38 -0.16 0.99 1.43 0.23 -5.08 118.68 119.47 1ogy s LEU 69 Ca 0.00 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1ogy s LEU 69 Cb 0.00 -3.96 0.02 0.00 0.03 0.00 0.00 46.19 42.28 1ogy s LEU 69 CO 0.00 -0.82 -0.20 -0.69 0.23 0.00 0.00 176.35 174.87 1ogy s VAL 70 N -2.96 2.00 0.17 -1.59 1.01 -1.26 -4.39 120.40 113.38 1ogy s VAL 70 Ca 0.52 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1ogy s VAL 70 Cb -0.11 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1ogy s VAL 70 CO 0.48 0.53 0.07 0.00 0.00 0.00 0.00 175.10 176.18 1ogy s ALA 71 N 1.17 1.16 0.12 5.51 0.00 -1.26 -5.10 121.76 123.37 1ogy s ALA 71 Ca 0.02 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 1ogy s ALA 71 Cb -0.14 0.95 -0.07 0.00 0.00 0.00 0.00 23.12 23.87 1ogy s ALA 71 CO -0.10 -0.47 1.16 0.00 0.00 0.00 0.00 175.76 176.35 1ogy s ALA 72 N -3.95 3.39 0.29 0.00 0.00 -1.26 -4.78 121.76 115.45 1ogy s ALA 72 Ca 0.30 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 1ogy s ALA 72 Cb 0.07 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1ogy s ALA 72 CO 0.06 -0.34 1.38 -1.25 0.00 0.00 0.00 175.76 175.61 1ogy s PRO 73 N 0.31 4.30 0.00 0.00 0.04 -1.26 -4.86 135.00 133.54 1ogy s PRO 73 Ca 0.54 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1ogy s PRO 73 Cb -0.30 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1ogy s PRO 73 CO 0.33 -0.32 0.52 -1.33 0.04 0.00 0.00 177.00 176.24 1ogy n MET 74 N 1.57 -0.84 -3.73 4.56 2.81 -1.02 -5.01 117.12 115.47 1ogy n MET 74 Ca 0.03 -0.55 -0.14 0.00 -1.81 0.00 0.00 57.70 55.24 1ogy n MET 74 Cb 0.41 -1.00 -0.08 0.00 -0.71 0.00 0.00 33.22 31.83 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 -0.05 0.05 0.29 2.02 -4.36 -1.26 -4.40 121.20 113.48 1ogy s ILE 75 Ca 0.00 -0.39 -0.25 0.00 -0.26 0.00 0.00 60.65 59.76 1ogy s ILE 75 Cb 0.00 -0.66 -0.09 0.00 1.25 0.00 0.00 42.46 42.95 1ogy s ILE 75 CO 0.00 -0.21 0.89 -0.94 0.24 0.00 0.00 174.94 174.92 1ogy s SER 76 N -1.24 7.31 0.00 4.36 1.04 -1.26 -4.85 113.70 119.06 1ogy s SER 76 Ca -0.13 1.75 0.05 0.00 0.48 0.00 0.00 55.95 58.10 1ogy s SER 76 Cb -0.04 -2.54 0.26 0.00 0.10 0.00 0.00 66.02 63.79 1ogy s SER 76 CO 0.05 -0.01 0.95 -0.38 0.98 0.00 0.00 173.24 174.83 1ogy n ILE 77 N 0.72 0.76 0.46 -1.02 5.41 -1.26 -0.79 119.36 123.64 1ogy n ILE 77 Ca 0.00 0.19 0.12 0.00 1.00 0.00 0.00 62.75 64.07 1ogy n ILE 77 Cb 0.50 -1.11 0.47 0.00 -0.71 0.00 0.00 39.64 38.79 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 -1.23 0.76 1.70 1.39 -2.24 -1.26 -0.82 114.28 112.58 1ogy n THR 78 Ca 0.03 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 1ogy n THR 78 Cb 0.04 -1.00 0.53 0.00 -2.10 0.00 0.00 70.33 67.79 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 -2.26 0.07 0.86 4.78 8.25 0.03 -3.33 115.22 123.62 1ogy n HIS 79 Ca 0.03 -0.04 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1ogy n HIS 79 Cb 0.29 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.35 0.00 -2.92 4.41 0.99 -0.00 -1.89 117.46 117.69 1ogy n PHE 80 Ca 0.16 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.22 1ogy n PHE 80 Cb 0.18 -0.03 -0.06 0.00 -1.00 0.00 0.00 39.48 38.57 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 -2.86 4.60 0.43 -1.08 -0.21 -1.21 -1.70 119.66 117.63 1ogy s GLN 81 Ca 0.06 1.22 0.05 0.00 0.02 0.00 0.00 55.36 56.72 1ogy s GLN 81 Cb 0.15 -3.18 0.01 0.00 1.00 0.00 0.00 33.01 30.98 1ogy s GLN 81 CO 0.80 0.51 0.60 0.16 -2.12 0.00 0.00 175.29 175.24 1ogy s ASP 82 N -1.26 5.70 0.24 5.90 -4.77 -0.02 -4.76 116.67 117.70 1ogy s ASP 82 Ca 0.39 -0.16 -0.29 0.00 -3.30 0.00 0.00 52.55 49.19 1ogy s ASP 82 Cb -0.23 -1.00 -0.15 0.00 -1.09 0.00 0.00 42.92 40.45 1ogy s ASP 82 CO 0.27 -0.73 0.93 -1.14 0.70 0.00 0.00 175.17 175.20 1ogy n ARG 83 N -1.92 0.97 -0.31 2.11 0.63 -1.26 0.90 116.66 117.77 1ogy n ARG 83 Ca 0.05 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1ogy n ARG 83 Cb 0.59 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.84 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 1.02 0.00 -0.48 -0.14 4.71 -1.26 -4.48 120.64 120.02 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 0.28 -0.82 0.00 0.00 -1.01 0.00 0.00 31.44 29.89 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 0.64 3.77 0.62 0.00 0.26 -4.97 105.19 103.51 1ogy n GLY 85 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.41 3.76 -0.46 1.61 -1.52 -1.23 -4.58 119.66 116.83 1ogy s GLN 86 Ca 0.00 2.32 -0.17 0.00 -1.95 0.00 0.00 55.36 55.57 1ogy s GLN 86 Cb 0.00 -2.67 0.05 0.00 -0.22 0.00 0.00 33.01 30.17 1ogy s GLN 86 CO 0.00 -0.72 0.44 1.41 -0.25 0.00 0.00 175.29 176.17 1ogy s MET 87 N -2.40 3.03 1.06 2.91 1.75 -1.26 -0.84 119.30 123.55 1ogy s MET 87 Ca 0.60 -1.06 -0.13 0.00 -1.25 0.00 0.00 55.69 53.85 1ogy s MET 87 Cb -0.42 -4.06 0.22 0.00 2.84 0.00 0.00 34.83 33.41 1ogy s MET 87 CO 0.53 -0.98 1.08 -0.51 -0.65 0.00 0.00 175.02 174.49 1ogy s LEU 88 N 1.97 1.30 -0.11 4.11 1.43 -0.69 -4.94 118.68 121.76 1ogy s LEU 88 Ca 0.08 1.19 0.05 0.00 -1.03 0.00 0.00 54.13 54.42 1ogy s LEU 88 Cb -0.21 -3.27 0.30 0.00 0.03 0.00 0.00 46.19 43.05 1ogy s LEU 88 CO 0.10 -3.47 1.06 0.00 0.23 0.00 0.00 176.35 174.27 1ogy n ALA 89 N -4.40 3.18 0.00 4.21 0.00 -1.26 -4.88 120.51 117.37 1ogy n ALA 89 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1ogy n ALA 89 Cb 0.57 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 0.16 0.00 -4.56 0.00 2.03 -1.26 -5.13 116.55 107.79 1ogy n ASP 90 Ca 0.13 0.00 -0.51 0.00 0.52 0.00 0.00 54.79 54.93 1ogy n ASP 90 Cb 0.69 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.04 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 -0.22 0.57 -2.88 5.18 0.31 -1.26 -4.65 118.33 115.38 1ogy n VAL 91 Ca 0.00 -0.14 -0.31 0.00 -0.01 0.00 0.00 64.34 63.88 1ogy n VAL 91 Cb 0.00 -0.64 -0.04 0.00 -0.91 0.00 0.00 33.84 32.25 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 0.07 6.63 0.48 4.52 1.04 -0.79 -4.96 113.70 120.68 1ogy s SER 92 Ca 0.79 1.26 0.18 0.00 0.48 0.00 0.00 55.95 58.65 1ogy s SER 92 Cb -0.95 -2.37 1.18 0.00 0.10 0.00 0.00 66.02 63.97 1ogy s SER 92 CO 0.52 -0.36 2.00 -0.65 0.98 0.00 0.00 173.24 175.73 1ogy h PRO 93 N 1.54 0.22 -6.73 4.02 0.11 -1.91 -3.29 132.00 125.96 1ogy h PRO 93 Ca -0.47 -0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.12 1ogy h PRO 93 Cb 1.18 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.25 1ogy h PRO 93 CO 0.64 0.15 0.46 -0.98 -0.21 0.00 0.00 178.00 178.06 1ogy s ARG 94 N -5.23 4.64 0.00 1.05 1.70 -1.26 -1.42 118.95 118.44 1ogy s ARG 94 Ca -0.06 1.73 0.00 0.00 -0.47 0.00 0.00 55.73 56.93 1ogy s ARG 94 Cb 0.19 -3.24 0.00 0.00 -0.57 0.00 0.00 34.95 31.33 1ogy s ARG 94 CO 0.73 0.18 0.00 0.54 -1.08 0.00 0.00 175.30 175.68 1ogy n ARG 95 N 1.75 0.00 0.14 3.89 5.12 -1.25 -4.94 116.66 121.37 1ogy n ARG 95 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 1ogy n ARG 95 Cb 0.46 -0.11 -0.06 0.00 -1.16 0.00 0.00 32.46 31.58 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 -0.49 -1.75 -1.55 3.20 -1.30 -3.31 116.97 111.77 1ogy h TYR 96 Ca 0.00 0.00 -0.57 0.00 3.14 0.00 0.00 58.73 61.30 1ogy h TYR 96 Cb 0.00 0.19 -0.09 0.00 1.54 0.00 0.00 36.73 38.37 1ogy h TYR 96 CO 0.00 -0.28 1.26 -0.06 -1.64 0.00 0.00 178.16 177.44 1ogy s PHE 97 N -6.11 2.42 0.15 -3.82 0.40 -1.26 -4.82 117.98 104.94 1ogy s PHE 97 Ca -0.15 -0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 55.60 1ogy s PHE 97 Cb 0.07 -4.65 -0.02 0.00 0.51 0.00 0.00 43.02 38.92 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 -4.13 0.91 0.10 0.00 -2.24 -1.26 0.05 114.28 107.71 1ogy n THR 99 Ca -0.01 0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 62.18 1ogy n THR 99 Cb 0.48 -1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.02 0.56 0.00 6.98 0.00 -1.96 -3.39 119.26 122.49 1ogy h ALA 100 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 1ogy h ALA 100 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ogy h ALA 100 CO 0.00 1.01 -1.23 0.00 0.00 0.00 0.00 179.25 179.03 1ogy s HIS 102 N -2.08 3.43 -0.03 0.00 3.76 -0.41 -4.87 115.29 115.09 1ogy s HIS 102 Ca -0.04 0.56 0.07 0.00 -0.15 0.00 0.00 55.06 55.50 1ogy s HIS 102 Cb 0.01 -2.37 -0.02 0.00 1.11 0.00 0.00 32.58 31.31 1ogy s HIS 102 CO 0.11 0.17 -0.24 0.08 -0.85 0.00 0.00 174.74 174.01 1ogy s VAL 103 N 0.71 2.25 0.87 -0.90 1.01 -1.26 -4.44 120.40 118.64 1ogy s VAL 103 Ca 0.16 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1ogy s VAL 103 Cb -0.13 -1.81 0.16 0.00 0.00 0.00 0.00 36.38 34.60 1ogy s VAL 103 CO 0.05 0.58 1.20 -2.16 0.00 0.00 0.00 175.10 174.77 1ogy s PRO 104 N -0.56 1.11 0.03 2.72 0.04 -1.26 -0.28 135.00 136.80 1ogy s PRO 104 Ca 0.08 -0.57 -0.01 0.00 0.04 0.00 0.00 61.00 60.55 1ogy s PRO 104 Cb -0.11 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1ogy s PRO 104 CO -0.00 -2.02 -0.02 -0.65 0.04 0.00 0.00 177.00 174.35 1ogy s GLN 105 N -5.62 0.46 0.45 4.56 -0.21 -1.25 -4.80 119.66 113.25 1ogy s GLN 105 Ca 0.70 -0.89 0.06 0.00 0.02 0.00 0.00 55.36 55.25 1ogy s GLN 105 Cb -0.05 0.16 -0.03 0.00 1.00 0.00 0.00 33.01 34.09 1ogy s GLN 105 CO 0.50 -0.08 0.16 0.95 -2.12 0.00 0.00 175.29 174.70 1ogy s THR 106 N -2.61 1.94 -0.78 -0.19 -4.23 -1.26 -0.43 115.64 108.08 1ogy s THR 106 Ca -0.05 -1.76 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1ogy s THR 106 Cb -0.02 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 71.19 1ogy s THR 106 CO -0.05 0.00 1.16 0.21 -0.54 0.00 0.00 174.62 175.40 1ogy s ASN 107 N -3.94 6.29 -0.03 3.99 2.47 -0.98 -4.85 114.94 117.88 1ogy s ASN 107 Ca 0.32 -1.05 -0.01 0.00 0.42 0.00 0.00 52.86 52.54 1ogy s ASN 107 Cb 0.03 -2.48 0.02 0.00 -1.45 0.00 0.00 41.25 37.37 1ogy s ASN 107 CO 0.18 -1.52 0.06 0.00 -3.72 0.00 0.00 177.10 172.10 1ogy s ALA 108 N 4.53 -0.07 -0.22 1.71 0.00 -1.26 -4.60 121.76 121.85 1ogy s ALA 108 Ca 0.31 0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.37 1ogy s ALA 108 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1ogy s ALA 108 CO 0.06 -0.09 0.80 -0.65 0.00 0.00 0.00 175.76 175.88 1ogy s GLN 109 N 0.74 4.22 0.24 0.00 -0.21 -1.26 -4.99 119.66 118.39 1ogy s GLN 109 Ca -0.06 0.91 -0.31 0.00 0.02 0.00 0.00 55.36 55.92 1ogy s GLN 109 Cb -0.08 -3.62 -0.13 0.00 1.00 0.00 0.00 33.01 30.17 1ogy s GLN 109 CO -0.03 -0.43 1.40 -2.30 -2.12 0.00 0.00 175.29 171.81 1ogy n PRO 110 N 5.67 1.99 0.00 2.91 -0.02 -1.26 -4.82 135.00 139.47 1ogy n PRO 110 Ca 0.04 0.71 0.08 0.00 -2.02 0.00 0.00 63.50 62.32 1ogy n PRO 110 Cb 0.48 -2.36 0.38 0.00 -0.02 0.00 0.00 33.50 31.98 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 2.15 0.00 -3.63 2.45 4.77 -1.26 -4.72 117.00 116.76 1ogy n LEU 111 Ca 0.12 0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1ogy n LEU 111 Cb 0.31 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1ogy n LEU 111 CO 0.63 -0.19 0.47 -0.69 -1.33 0.00 0.00 177.39 176.27 1ogy s VAL 112 N -2.97 0.00 0.48 4.08 1.01 -1.26 -5.08 120.40 116.66 1ogy s VAL 112 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 1ogy s VAL 112 Cb 0.12 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.42 1ogy s VAL 112 CO 0.32 0.00 1.11 0.42 0.00 0.00 0.00 175.10 176.95 1ogy s THR 113 N 0.61 3.34 -0.26 3.92 -4.23 -1.26 -5.01 115.64 112.73 1ogy s THR 113 Ca -0.02 0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 61.36 1ogy s THR 113 Cb -0.05 -3.42 -0.00 0.00 1.34 0.00 0.00 72.50 70.37 1ogy s THR 113 CO -0.04 -0.09 0.04 0.21 -0.54 0.00 0.00 174.62 174.19 1ogy s ASN 114 N -1.63 4.86 -0.15 3.99 3.84 -1.26 -4.99 114.94 119.60 1ogy s ASN 114 Ca 0.66 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 53.18 1ogy s ASN 114 Cb -0.24 -1.84 0.13 0.00 -0.55 0.00 0.00 41.25 38.76 1ogy s ASN 114 CO 0.28 -0.12 1.72 -0.62 -2.79 0.00 0.00 177.10 175.58 1ogy n GLU 115 N 4.84 1.39 -2.16 0.43 1.02 -1.26 -4.82 120.64 120.08 1ogy n GLU 115 Ca -0.16 -0.81 -0.41 0.00 -0.02 0.00 0.00 57.16 55.76 1ogy n GLU 115 Cb 0.49 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.92 3.18 0.11 -0.32 5.36 -1.26 -4.87 117.98 119.27 1ogy s PHE 116 Ca 0.16 1.22 0.04 0.00 -0.96 0.00 0.00 56.93 57.38 1ogy s PHE 116 Cb 0.13 -3.65 -0.04 0.00 -0.34 0.00 0.00 43.02 39.11 1ogy s PHE 116 CO 0.01 -2.01 0.09 1.03 -1.46 0.00 0.00 175.22 172.87 1ogy s ARG 117 N -0.44 2.84 0.40 10.12 1.81 -1.26 -1.35 118.95 131.06 1ogy s ARG 117 Ca 0.56 -0.78 -0.23 0.00 -1.72 0.00 0.00 55.73 53.55 1ogy s ARG 117 Cb -0.38 -2.67 -0.09 0.00 -0.45 0.00 0.00 34.95 31.36 1ogy s ARG 117 CO 0.41 0.53 1.02 0.34 -0.68 0.00 0.00 175.30 176.93 1ogy s ASP 118 N -2.63 6.81 0.13 0.23 2.15 -0.76 -4.78 116.67 117.82 1ogy s ASP 118 Ca 0.29 1.95 -0.19 0.00 0.43 0.00 0.00 52.55 55.03 1ogy s ASP 118 Cb -0.11 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 39.91 1ogy s ASP 118 CO 0.22 -0.45 1.71 0.24 -0.17 0.00 0.00 175.17 176.72 1ogy h MET 119 N 2.41 0.03 -5.87 4.34 2.86 -1.92 -3.26 114.93 113.52 1ogy h MET 119 Ca -0.48 -0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.56 1ogy h MET 119 Cb 1.21 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.79 1ogy h MET 119 CO 0.62 0.02 -0.19 -0.51 1.06 0.00 0.00 176.91 177.92 1ogy s LEU 120 N -10.39 4.39 -0.60 1.22 1.02 -1.26 -4.45 118.68 108.60 1ogy s LEU 120 Ca -0.13 0.88 -0.03 0.00 0.02 0.00 0.00 54.13 54.87 1ogy s LEU 120 Cb 0.10 -2.61 0.00 0.00 0.02 0.00 0.00 46.19 43.70 1ogy s LEU 120 CO 0.69 0.19 0.60 0.35 0.02 0.00 0.00 176.35 178.20 1ogy n THR 121 N 2.62 -9.34 -0.05 5.49 -2.24 -1.26 -4.60 114.28 104.92 1ogy n THR 121 Ca -0.11 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ogy n THR 121 Cb 0.52 -6.63 0.00 0.00 -2.10 0.00 0.00 70.33 62.12 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 -1.40 0.00 -4.87 3.22 4.77 -1.23 -4.43 117.00 113.06 1ogy n LEU 122 Ca 0.02 -0.41 -0.36 0.00 -0.03 0.00 0.00 56.01 55.23 1ogy n LEU 122 Cb 0.48 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1ogy n LEU 122 CO 0.46 -0.53 -0.03 -0.32 -1.33 0.00 0.00 177.39 175.65 1ogy s MET 123 N 2.16 3.65 0.00 3.23 1.75 -1.26 -4.72 119.30 124.11 1ogy s MET 123 Ca 0.00 0.07 -0.36 0.00 -1.25 0.00 0.00 55.69 54.14 1ogy s MET 123 Cb 0.00 -3.14 -0.15 0.00 2.84 0.00 0.00 34.83 34.38 1ogy s MET 123 CO 0.00 0.68 1.55 -2.30 -0.65 0.00 0.00 175.02 174.30 1ogy n PRO 124 N 1.51 1.50 -1.65 4.11 -0.02 -1.26 -1.82 135.00 137.37 1ogy n PRO 124 Ca -0.14 0.55 -0.44 0.00 -2.02 0.00 0.00 63.50 61.45 1ogy n PRO 124 Cb 0.53 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.85 0.56 -3.69 3.55 0.00 -0.45 -4.82 120.51 119.51 1ogy n ALA 125 Ca 0.20 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 1ogy n ALA 125 Cb 0.21 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 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 -0.40 0.15 -0.17 0.00 1.04 -1.26 -5.00 113.70 108.05 1ogy s SER 126 Ca 0.57 0.56 -0.12 0.00 0.48 0.00 0.00 55.95 57.44 1ogy s SER 126 Cb -0.64 0.59 -0.07 0.00 0.10 0.00 0.00 66.02 66.00 1ogy s SER 126 CO 0.61 -0.21 -0.28 0.59 0.98 0.00 0.00 173.24 174.93 1ogy n ASN 127 N 4.96 1.64 0.00 7.02 3.02 -1.26 -5.07 115.26 125.57 1ogy n ASN 127 Ca -0.13 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1ogy n ASN 127 Cb 0.51 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1ogy n ASN 127 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02