#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 -1.10 2.24 0.00 -1.26 -5.01 120.51 115.38 1ogy n ALA 3 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 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 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 6.07 0.00 0.00 0.54 5.12 -1.26 -4.25 116.66 122.87 1ogy n ARG 5 Ca 0.48 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 1ogy n ARG 5 Cb 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.33 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 0.63 117.00 121.67 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 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 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 -1.11 1.71 0.03 -5.08 -2.24 -1.26 -4.73 114.28 101.59 1ogy n THR 7 Ca 0.00 -0.62 0.04 0.00 -2.27 0.00 0.00 64.05 61.20 1ogy n THR 7 Cb 0.04 -1.67 -0.06 0.00 -2.10 0.00 0.00 70.33 66.55 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 2.05 -0.29 2.29 3.38 0.00 0.20 -5.12 105.19 107.70 1ogy n GLY 8 Ca -0.35 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.71 -1.80 -1.74 4.61 0.00 0.55 -4.87 120.51 115.55 1ogy n ALA 9 Ca -0.01 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.43 1ogy n ALA 9 Cb 0.19 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.38 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 2.87 -0.77 0.00 -0.08 -1.26 -3.56 116.55 115.64 1ogy n ASP 10 Ca 0.00 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.33 1ogy n ASP 10 Cb 0.00 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 41.89 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 -0.54 0.00 0.00 -0.67 0.00 -1.26 -4.30 116.66 109.89 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 0.43 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 -0.14 0.00 -0.70 2.89 -0.04 -1.23 -2.69 135.00 133.08 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 -0.29 -0.04 0.54 2.81 -1.26 -4.87 117.12 114.00 1ogy n MET 13 Ca 0.00 0.07 -0.08 0.00 -1.81 0.00 0.00 57.70 55.88 1ogy n MET 13 Cb 0.00 -4.08 -0.02 0.00 -0.71 0.00 0.00 33.22 28.41 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 -0.61 0.00 7.83 0.87 -1.74 -3.47 113.55 116.43 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 0.15 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1ogy h SER 14 CO 0.00 -0.23 0.00 1.21 -0.53 0.00 0.00 176.83 177.28 1ogy n GLU 15 N -5.34 0.00 -4.73 2.24 2.13 -1.26 -5.17 120.64 108.51 1ogy n GLU 15 Ca -0.01 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.56 1ogy n GLU 15 Cb 0.26 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.82 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 1.57 0.05 6.31 1.01 -1.26 -5.12 120.40 122.97 1ogy s VAL 16 Ca 0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 1ogy s VAL 16 Cb 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 1ogy s VAL 16 CO 0.00 0.27 0.71 0.00 0.00 0.00 0.00 175.10 176.08 1ogy s ALA 17 N -0.68 3.42 -0.33 5.51 0.00 -1.26 -5.04 121.76 123.39 1ogy s ALA 17 Ca 0.07 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 1ogy s ALA 17 Cb -0.08 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 1ogy s ALA 17 CO 0.01 0.14 0.35 0.00 0.00 0.00 0.00 175.76 176.26 1ogy s ALA 18 N -0.31 3.50 0.88 0.00 0.00 -1.26 -4.85 121.76 119.73 1ogy s ALA 18 Ca 0.36 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 1ogy s ALA 18 Cb -0.20 -2.79 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1ogy s ALA 18 CO 0.22 -1.00 0.61 -2.30 0.00 0.00 0.00 175.76 173.28 1ogy n PRO 19 N 5.36 -0.13 -2.51 0.00 -0.02 -1.26 -4.93 135.00 131.50 1ogy n PRO 19 Ca -0.09 0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 1ogy n PRO 19 Cb 0.50 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 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 -3.63 3.89 0.13 0.52 0.04 -1.26 -4.93 135.00 129.75 1ogy s PRO 20 Ca 0.62 1.44 -0.34 0.00 0.04 0.00 0.00 61.00 62.76 1ogy s PRO 20 Cb -0.25 -2.24 -0.17 0.00 0.04 0.00 0.00 34.50 31.87 1ogy s PRO 20 CO 0.62 -0.37 0.95 1.28 0.04 0.00 0.00 177.00 179.52 1ogy n LEU 21 N -0.68 0.26 -4.85 -3.56 4.77 -1.26 -4.91 117.00 106.76 1ogy n LEU 21 Ca 0.08 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.89 1ogy n LEU 21 Cb 0.51 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.52 1ogy n LEU 21 CO 0.42 -1.98 0.57 -2.84 -1.33 0.00 0.00 177.39 172.23 1ogy s PRO 22 N -0.46 3.89 -0.08 3.23 0.02 -1.26 -5.03 135.00 135.32 1ogy s PRO 22 Ca 0.76 0.75 -0.11 0.00 0.02 0.00 0.00 61.00 62.42 1ogy s PRO 22 Cb -1.00 -2.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 1ogy s PRO 22 CO 0.55 -0.15 0.28 -1.83 -0.33 0.00 0.00 177.00 175.51 1ogy s GLU 23 N -3.90 3.77 0.65 5.54 -1.05 -1.26 -4.87 118.70 117.59 1ogy s GLU 23 Ca 0.56 0.13 -0.18 0.00 -0.15 0.00 0.00 54.97 55.33 1ogy s GLU 23 Cb -0.10 -3.24 -0.01 0.00 -0.44 0.00 0.00 34.13 30.33 1ogy s GLU 23 CO 0.30 0.66 1.15 2.41 0.95 0.00 0.00 175.26 180.73 1ogy n THR 24 N 2.16 4.21 -3.29 1.83 -1.04 -1.26 -2.10 114.28 114.79 1ogy n THR 24 Ca -0.16 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.05 60.95 1ogy n THR 24 Cb 0.53 -1.32 -0.08 0.00 -1.82 0.00 0.00 70.33 67.64 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 -1.52 5.05 -0.97 12.58 1.01 0.68 -4.84 121.20 133.20 1ogy s ILE 25 Ca 0.79 -0.40 0.22 0.00 0.00 0.00 0.00 60.65 61.26 1ogy s ILE 25 Cb -0.38 -4.09 -0.18 0.00 0.01 0.00 0.00 42.46 37.82 1ogy s ILE 25 CO 0.44 -0.50 1.00 0.41 0.00 0.00 0.00 174.94 176.29 1ogy n THR 26 N 5.47 0.01 -1.68 2.92 -1.04 -1.26 -4.18 114.28 114.51 1ogy n THR 26 Ca -0.07 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 1ogy n THR 26 Cb 0.47 0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 69.75 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 -3.06 5.55 0.00 8.00 -4.77 -1.26 -4.66 116.67 116.48 1ogy s ASP 27 Ca 0.08 1.80 0.00 0.00 -3.30 0.00 0.00 52.55 51.14 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 0.83 -1.90 0.40 0.47 0.70 0.00 0.00 175.17 175.68 1ogy n ASP 28 N 11.35 1.10 -4.61 2.11 8.00 -1.24 -4.73 116.55 128.53 1ogy n ASP 28 Ca 0.28 -1.06 -0.39 0.00 0.71 0.00 0.00 54.79 54.33 1ogy n ASP 28 Cb 0.45 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 41.24 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 1.27 4.04 0.62 -1.24 0.52 -1.26 -4.96 118.95 117.93 1ogy s ARG 29 Ca 0.00 0.15 -0.19 0.00 -0.52 0.00 0.00 55.73 55.17 1ogy s ARG 29 Cb 0.00 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.79 1ogy s ARG 29 CO 0.00 -0.30 1.30 1.03 0.02 0.00 0.00 175.30 177.35 1ogy s ARG 30 N 2.16 2.73 -0.20 3.54 0.52 -1.26 -4.72 118.95 121.71 1ogy s ARG 30 Ca 0.17 2.08 -0.04 0.00 -0.52 0.00 0.00 55.73 57.43 1ogy s ARG 30 Cb -0.16 -1.95 -0.21 0.00 0.52 0.00 0.00 34.95 33.16 1ogy s ARG 30 CO 0.10 -1.46 0.04 0.28 0.02 0.00 0.00 175.30 174.27 1ogy n VAL 31 N -1.67 1.62 0.00 3.52 0.31 -1.26 -5.10 118.33 115.75 1ogy n VAL 31 Ca 0.14 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1ogy n VAL 31 Cb 0.48 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 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 2.06 1.46 3.80 2.92 0.00 -1.26 -4.48 105.19 109.70 1ogy n GLY 32 Ca -0.40 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 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 2.73 0.67 -0.05 1.61 3.00 -1.26 -4.71 116.66 118.65 1ogy n ARG 33 Ca 0.00 -3.36 -0.03 0.00 -0.01 0.00 0.00 57.85 54.45 1ogy n ARG 33 Cb 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 32.46 32.61 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 -1.92 1.83 -4.04 0.55 3.02 -1.26 -5.02 115.26 108.42 1ogy n ASN 34 Ca 0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.48 1ogy n ASN 34 Cb 0.62 1.01 -0.11 0.00 -0.61 0.00 0.00 39.78 40.69 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 -2.46 0.40 0.82 3.10 -0.85 -1.26 -4.52 117.35 112.58 1ogy s TYR 35 Ca -0.06 -0.79 -0.13 0.00 -0.52 0.00 0.00 57.07 55.57 1ogy s TYR 35 Cb 0.05 -0.29 0.20 0.00 0.38 0.00 0.00 41.96 42.30 1ogy s TYR 35 CO 0.54 -0.28 0.46 -2.30 -1.52 0.00 0.00 175.55 172.45 1ogy n PRO 36 N 0.86 -2.99 -0.62 -3.49 -0.02 -1.26 -2.36 135.00 125.12 1ogy n PRO 36 Ca -0.19 -0.77 -0.02 0.00 -2.02 0.00 0.00 63.50 60.50 1ogy n PRO 36 Cb 0.58 -1.08 -0.01 0.00 -0.02 0.00 0.00 33.50 32.97 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 -3.50 -1.61 -3.30 -0.52 1.02 -1.26 -4.85 120.64 106.62 1ogy n GLU 37 Ca 0.07 0.18 -0.43 0.00 -0.02 0.00 0.00 57.16 56.97 1ogy n GLU 37 Cb 0.32 -3.63 -0.08 0.00 -0.02 0.00 0.00 31.44 28.02 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 3.23 -0.17 3.49 0.74 -0.99 -5.01 119.66 119.64 1ogy s GLN 38 Ca 0.00 -0.62 -0.38 0.00 0.05 0.00 0.00 55.36 54.42 1ogy s GLN 38 Cb 0.00 -3.93 -0.14 0.00 1.10 0.00 0.00 33.01 30.04 1ogy s GLN 38 CO 0.00 -0.81 1.75 -0.35 -0.55 0.00 0.00 175.29 175.34 1ogy n PRO 39 N 5.66 1.52 -1.61 1.67 -0.04 -1.26 -4.90 135.00 136.04 1ogy n PRO 39 Ca -0.07 0.56 -0.37 0.00 -0.04 0.00 0.00 63.50 63.58 1ogy n PRO 39 Cb 0.48 -2.29 0.06 0.00 -0.04 0.00 0.00 33.50 31.71 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 5.51 0.87 -3.37 0.54 -0.02 -1.26 -4.93 135.00 132.32 1ogy n PRO 40 Ca 0.24 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1ogy n PRO 40 Cb 0.19 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 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 -1.53 4.91 -0.40 -1.45 1.01 -1.26 -4.38 120.40 117.29 1ogy s VAL 41 Ca 0.78 0.51 -0.28 0.00 0.00 0.00 0.00 61.98 62.98 1ogy s VAL 41 Cb -0.40 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1ogy s VAL 41 CO 0.45 -0.10 1.07 -0.63 0.00 0.00 0.00 175.10 175.89 1ogy s ILE 42 N -1.85 4.39 -2.00 2.22 1.01 0.99 -4.78 121.20 121.18 1ogy s ILE 42 Ca 0.48 1.37 0.27 0.00 0.00 0.00 0.00 60.65 62.77 1ogy s ILE 42 Cb -0.11 -4.48 0.77 0.00 0.01 0.00 0.00 42.46 38.65 1ogy s ILE 42 CO 0.21 -0.73 2.04 -0.81 0.00 0.00 0.00 174.94 175.65 1ogy n PRO 43 N 7.28 1.00 -3.50 2.79 -0.04 -1.26 -3.92 135.00 137.34 1ogy n PRO 43 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 1ogy n PRO 43 Cb 0.48 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.92 0.18 -2.19 0.54 1.44 -1.26 -3.61 115.22 109.39 1ogy n HIS 44 Ca 0.20 -1.60 -0.31 0.00 -2.01 0.00 0.00 57.72 54.01 1ogy n HIS 44 Cb 0.09 -0.03 -0.01 0.00 0.12 0.00 0.00 29.99 30.16 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 -2.57 6.36 -0.08 4.39 0.15 -1.26 -4.85 113.70 115.84 1ogy s SER 45 Ca 0.11 1.37 -0.07 0.00 0.70 0.00 0.00 55.95 58.06 1ogy s SER 45 Cb 0.01 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 1ogy s SER 45 CO 0.08 -0.72 -0.16 -0.38 1.20 0.00 0.00 173.24 173.26 1ogy n ILE 46 N -2.26 0.95 0.00 6.45 5.41 -1.26 -4.98 119.36 123.68 1ogy n ILE 46 Ca 0.05 0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1ogy n ILE 46 Cb 0.54 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 -3.70 0.00 0.00 0.38 -0.58 -1.26 -0.13 120.64 115.35 1ogy n GLU 47 Ca -0.17 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.65 1ogy n GLU 47 Cb 0.49 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.74 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 -0.96 3.69 0.62 0.00 -1.26 -4.82 105.19 102.46 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 -2.80 2.33 -0.11 1.61 4.12 0.81 -4.99 117.35 118.31 1ogy s TYR 49 Ca 0.12 0.26 -0.05 0.00 0.02 0.00 0.00 57.07 57.42 1ogy s TYR 49 Cb 0.11 -3.98 -0.04 0.00 -1.52 0.00 0.00 41.96 36.53 1ogy s TYR 49 CO 0.28 -3.98 0.07 -1.14 0.02 0.00 0.00 175.55 170.80 1ogy s GLN 50 N 2.83 3.32 -0.27 -0.62 0.74 -1.26 -4.96 119.66 119.43 1ogy s GLN 50 Ca 0.75 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.88 1ogy s GLN 50 Cb -0.40 -3.02 0.08 0.00 1.10 0.00 0.00 33.01 30.78 1ogy s GLN 50 CO 0.33 0.67 0.03 -0.51 -0.55 0.00 0.00 175.29 175.26 1ogy s LEU 51 N -0.76 2.63 0.00 3.68 1.43 -1.26 -1.35 118.68 123.06 1ogy s LEU 51 Ca 0.12 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 1ogy s LEU 51 Cb -0.12 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 1ogy s LEU 51 CO 0.03 -0.34 0.05 -1.54 0.23 0.00 0.00 176.35 174.78 1ogy n SER 52 N 4.72 -0.12 0.23 2.29 3.41 0.15 -4.98 113.62 119.30 1ogy n SER 52 Ca -0.05 -1.25 0.08 0.00 -0.26 0.00 0.00 58.87 57.38 1ogy n SER 52 Cb 0.43 0.26 0.53 0.00 -0.26 0.00 0.00 64.21 65.17 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 1.13 0.86 0.00 -3.33 2.07 -2.05 -3.14 116.25 111.79 1ogy h VAL 53 Ca -0.03 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1ogy h VAL 53 Cb 0.15 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1ogy h VAL 53 CO 0.04 0.23 -1.60 0.59 0.02 0.00 0.00 177.57 176.85 1ogy n ASN 54 N -3.82 0.65 -3.60 0.57 3.02 -1.26 -5.03 115.26 105.79 1ogy n ASN 54 Ca -0.02 -0.27 -0.14 0.00 -0.03 0.00 0.00 54.58 54.13 1ogy n ASN 54 Cb 0.33 1.63 -0.06 0.00 -0.61 0.00 0.00 39.78 41.08 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 -3.19 -1.24 -0.32 5.41 0.00 -1.19 -5.11 121.76 116.13 1ogy s ALA 55 Ca -0.03 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 1ogy s ALA 55 Cb 0.13 0.38 0.12 0.00 0.00 0.00 0.00 23.12 23.75 1ogy s ALA 55 CO 0.80 -0.50 0.17 1.21 0.00 0.00 0.00 175.76 177.45 1ogy s ASN 56 N -1.99 3.22 0.30 0.00 3.84 -1.25 0.31 114.94 119.36 1ogy s ASN 56 Ca -0.05 -1.73 0.04 0.00 0.21 0.00 0.00 52.86 51.34 1ogy s ASN 56 Cb -0.01 -0.36 0.69 0.00 -0.55 0.00 0.00 41.25 41.02 1ogy s ASN 56 CO -0.02 -0.37 1.79 -0.09 -2.79 0.00 0.00 177.10 175.61 1ogy h ARG 57 N 7.72 0.78 -0.43 0.43 9.65 -1.59 -2.40 114.38 128.54 1ogy h ARG 57 Ca -0.07 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.80 1ogy h ARG 57 Cb 0.99 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 29.35 1ogy h ARG 57 CO 0.35 0.52 0.20 0.00 2.80 0.00 0.00 179.97 183.83 1ogy n LEU 59 N -4.94 0.00 0.06 0.00 4.77 -0.90 -1.30 117.00 114.69 1ogy n LEU 59 Ca 0.03 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 1ogy n LEU 59 Cb 0.12 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 1ogy n LEU 59 CO 0.29 -0.06 0.05 -0.33 -1.33 0.00 0.00 177.39 176.00 1ogy h GLU 60 N 0.00 0.06 0.00 3.23 5.08 -1.47 -3.37 114.58 118.11 1ogy h GLU 60 Ca 0.00 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 1ogy h GLU 60 Cb 0.02 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1ogy h GLU 60 CO 0.00 1.02 -1.79 0.00 -1.00 0.00 0.00 179.01 177.24 1ogy s HIS 62 N -2.28 3.59 0.34 0.00 3.76 -0.42 -4.80 115.29 115.48 1ogy s HIS 62 Ca -0.10 -1.79 -0.11 0.00 -0.15 0.00 0.00 55.06 52.91 1ogy s HIS 62 Cb 0.04 -3.90 0.02 0.00 1.11 0.00 0.00 32.58 29.85 1ogy s HIS 62 CO 0.43 -1.08 0.62 -0.98 -0.85 0.00 0.00 174.74 172.87 1ogy s ARG 63 N 0.78 1.96 -0.04 1.40 1.70 -1.26 -4.47 118.95 119.03 1ogy s ARG 63 Ca 0.19 -1.49 0.06 0.00 -0.47 0.00 0.00 55.73 54.02 1ogy s ARG 63 Cb -0.12 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.78 1ogy s ARG 63 CO -0.07 -0.87 -0.23 1.03 -1.08 0.00 0.00 175.30 174.08 1ogy s ARG 64 N -3.01 2.12 -0.03 3.89 0.52 -1.26 -2.44 118.95 118.74 1ogy s ARG 64 Ca 0.22 -0.84 -0.14 0.00 -0.52 0.00 0.00 55.73 54.45 1ogy s ARG 64 Cb -0.03 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.46 1ogy s ARG 64 CO 0.14 0.43 0.37 1.14 0.02 0.00 0.00 175.30 177.40 1ogy s GLN 65 N -0.34 3.87 0.00 3.54 1.03 -1.26 -5.03 119.66 121.47 1ogy s GLN 65 Ca 0.03 0.32 0.00 0.00 0.04 0.00 0.00 55.36 55.75 1ogy s GLN 65 Cb -0.11 -3.23 0.00 0.00 0.03 0.00 0.00 33.01 29.70 1ogy s GLN 65 CO 0.01 0.67 0.00 0.66 -2.54 0.00 0.00 175.29 174.09 1ogy n TYR 66 N 1.97 0.00 -1.83 9.60 4.02 -1.26 -4.74 117.16 124.93 1ogy n TYR 66 Ca -0.15 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.71 1ogy n TYR 66 Cb 0.53 0.00 -0.01 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 -0.13 0.00 7.72 3.41 -1.26 0.15 113.62 123.51 1ogy n SER 67 Ca 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1ogy n SER 67 Cb 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.59 2.76 3.91 5.00 0.00 -1.26 -5.03 105.19 109.97 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 3.48 -0.17 0.99 1.43 0.40 -5.08 118.68 119.73 1ogy s LEU 69 Ca 0.00 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1ogy s LEU 69 Cb 0.00 -3.86 0.02 0.00 0.03 0.00 0.00 46.19 42.38 1ogy s LEU 69 CO 0.00 -0.73 -0.20 -0.69 0.23 0.00 0.00 176.35 174.96 1ogy s VAL 70 N -2.85 2.00 0.16 -1.59 1.01 -1.26 -4.39 120.40 113.48 1ogy s VAL 70 Ca 0.50 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1ogy s VAL 70 Cb -0.10 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1ogy s VAL 70 CO 0.46 0.53 0.07 0.00 0.00 0.00 0.00 175.10 176.16 1ogy s ALA 71 N 1.27 1.06 0.15 5.51 0.00 -1.26 -5.11 121.76 123.38 1ogy s ALA 71 Ca 0.04 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 1ogy s ALA 71 Cb -0.13 0.98 -0.07 0.00 0.00 0.00 0.00 23.12 23.90 1ogy s ALA 71 CO -0.12 -0.49 1.16 0.00 0.00 0.00 0.00 175.76 176.30 1ogy s ALA 72 N -4.02 3.39 0.30 0.00 0.00 -1.26 -4.78 121.76 115.40 1ogy s ALA 72 Ca 0.29 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 1ogy s ALA 72 Cb 0.07 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1ogy s ALA 72 CO 0.06 -0.32 1.37 -1.25 0.00 0.00 0.00 175.76 175.61 1ogy s PRO 73 N 0.08 4.30 0.00 0.00 0.04 -1.26 -4.85 135.00 133.31 1ogy s PRO 73 Ca 0.53 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1ogy s PRO 73 Cb -0.30 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1ogy s PRO 73 CO 0.34 -0.31 0.50 -1.33 0.04 0.00 0.00 177.00 176.24 1ogy n MET 74 N 1.45 -0.93 -3.74 4.56 2.81 -1.02 -5.01 117.12 115.24 1ogy n MET 74 Ca 0.03 -0.51 -0.14 0.00 -1.81 0.00 0.00 57.70 55.27 1ogy n MET 74 Cb 0.41 -1.00 -0.08 0.00 -0.71 0.00 0.00 33.22 31.84 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 -0.01 0.05 0.39 2.02 -4.36 -1.26 -4.36 121.20 113.67 1ogy s ILE 75 Ca 0.00 -0.40 -0.23 0.00 -0.26 0.00 0.00 60.65 59.76 1ogy s ILE 75 Cb 0.00 -0.64 -0.10 0.00 1.25 0.00 0.00 42.46 42.97 1ogy s ILE 75 CO 0.00 -0.22 0.99 -0.94 0.24 0.00 0.00 174.94 175.01 1ogy s SER 76 N -1.20 6.95 0.00 4.36 1.04 -1.26 -4.86 113.70 118.73 1ogy s SER 76 Ca -0.12 1.87 0.09 0.00 0.48 0.00 0.00 55.95 58.27 1ogy s SER 76 Cb -0.05 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 63.96 1ogy s SER 76 CO 0.05 -0.35 1.20 -0.38 0.98 0.00 0.00 173.24 174.73 1ogy n ILE 77 N -0.12 0.89 0.46 -1.02 5.41 -1.26 -1.11 119.36 122.61 1ogy n ILE 77 Ca 0.05 0.22 0.10 0.00 1.00 0.00 0.00 62.75 64.12 1ogy n ILE 77 Cb 0.51 -1.07 0.41 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 -1.32 0.88 1.40 1.39 -2.24 -1.26 -0.50 114.28 112.62 1ogy n THR 78 Ca 0.04 0.22 0.10 0.00 -2.27 0.00 0.00 64.05 62.13 1ogy n THR 78 Cb 0.08 -1.06 0.39 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.91 0.17 0.70 4.78 8.25 -0.27 -3.30 115.22 123.64 1ogy n HIS 79 Ca 0.03 -0.09 0.09 0.00 -0.26 0.00 0.00 57.72 57.49 1ogy n HIS 79 Cb 0.21 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.21 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 0.06 0.00 -2.84 4.41 0.99 0.34 -1.11 117.46 119.30 1ogy n PHE 80 Ca 0.15 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.20 1ogy n PHE 80 Cb 0.26 -0.08 -0.05 0.00 -1.00 0.00 0.00 39.48 38.60 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 -2.82 4.69 0.49 -1.08 -0.21 -1.21 -1.46 119.66 118.06 1ogy s GLN 81 Ca 0.04 1.33 0.03 0.00 0.02 0.00 0.00 55.36 56.78 1ogy s GLN 81 Cb 0.13 -3.31 0.02 0.00 1.00 0.00 0.00 33.01 30.85 1ogy s GLN 81 CO 0.75 0.43 0.69 0.16 -2.12 0.00 0.00 175.29 175.20 1ogy s ASP 82 N -0.74 5.50 0.28 5.90 -4.77 -0.09 -4.76 116.67 117.98 1ogy s ASP 82 Ca 0.40 -0.06 -0.28 0.00 -3.30 0.00 0.00 52.55 49.32 1ogy s ASP 82 Cb -0.24 -0.96 -0.14 0.00 -1.09 0.00 0.00 42.92 40.49 1ogy s ASP 82 CO 0.29 -0.94 0.88 -1.14 0.70 0.00 0.00 175.17 174.96 1ogy n ARG 83 N -2.15 1.02 -0.33 2.11 0.63 -1.26 0.87 116.66 117.56 1ogy n ARG 83 Ca 0.06 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1ogy n ARG 83 Cb 0.59 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.85 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 0.76 0.00 -0.41 -0.14 4.71 -1.26 -4.47 120.64 119.83 1ogy n GLU 84 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1ogy n GLU 84 Cb 0.31 -0.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.80 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 0.87 3.77 0.62 0.00 0.25 -4.98 105.19 103.73 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 -0.30 3.89 -0.46 1.61 -1.52 -1.24 -4.56 119.66 117.08 1ogy s GLN 86 Ca 0.00 2.44 -0.18 0.00 -1.95 0.00 0.00 55.36 55.67 1ogy s GLN 86 Cb 0.00 -2.80 0.04 0.00 -0.22 0.00 0.00 33.01 30.04 1ogy s GLN 86 CO 0.00 -0.66 0.52 1.41 -0.25 0.00 0.00 175.29 176.31 1ogy s MET 87 N -2.27 3.11 0.93 2.91 1.75 -1.26 -0.91 119.30 123.55 1ogy s MET 87 Ca 0.57 -0.85 -0.12 0.00 -1.25 0.00 0.00 55.69 54.05 1ogy s MET 87 Cb -0.44 -4.03 0.15 0.00 2.84 0.00 0.00 34.83 33.34 1ogy s MET 87 CO 0.58 -1.02 1.09 -0.51 -0.65 0.00 0.00 175.02 174.51 1ogy s LEU 88 N 2.31 2.07 -0.07 4.11 1.43 -0.54 -4.94 118.68 123.06 1ogy s LEU 88 Ca 0.13 1.41 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 1ogy s LEU 88 Cb -0.18 -3.76 0.16 0.00 0.03 0.00 0.00 46.19 42.43 1ogy s LEU 88 CO 0.13 -2.79 0.97 0.00 0.23 0.00 0.00 176.35 174.88 1ogy n ALA 89 N -3.98 2.97 0.00 4.21 0.00 -1.26 -4.85 120.51 117.60 1ogy n ALA 89 Ca 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.00 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 -0.52 0.00 0.52 0.00 0.00 54.79 54.88 1ogy n ASP 90 Cb 0.59 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.40 0.78 -3.03 5.18 0.31 -1.26 -4.65 118.33 115.27 1ogy n VAL 91 Ca 0.00 -0.20 -0.31 0.00 -0.01 0.00 0.00 64.34 63.83 1ogy n VAL 91 Cb 0.00 -0.38 -0.04 0.00 -0.91 0.00 0.00 33.84 32.50 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 -0.19 6.59 0.49 4.52 1.04 -0.27 -4.94 113.70 120.95 1ogy s SER 92 Ca 0.78 1.11 0.20 0.00 0.48 0.00 0.00 55.95 58.52 1ogy s SER 92 Cb -1.01 -2.31 1.25 0.00 0.10 0.00 0.00 66.02 64.05 1ogy s SER 92 CO 0.54 -0.30 1.99 -0.65 0.98 0.00 0.00 173.24 175.81 1ogy h PRO 93 N 1.69 0.15 -6.80 4.02 0.11 -1.91 -3.27 132.00 126.00 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 1.18 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.27 1ogy h PRO 93 CO 0.65 0.10 0.46 -0.98 -0.21 0.00 0.00 178.00 178.02 1ogy s ARG 94 N -5.17 4.67 0.00 1.05 1.70 -1.26 -1.37 118.95 118.58 1ogy s ARG 94 Ca -0.06 1.76 0.00 0.00 -0.47 0.00 0.00 55.73 56.96 1ogy s ARG 94 Cb 0.20 -3.20 0.00 0.00 -0.57 0.00 0.00 34.95 31.37 1ogy s ARG 94 CO 0.74 0.26 0.00 0.54 -1.08 0.00 0.00 175.30 175.75 1ogy n ARG 95 N 1.23 0.00 0.21 3.89 5.12 -1.25 -4.94 116.66 120.92 1ogy n ARG 95 Ca -0.01 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.76 1ogy n ARG 95 Cb 0.45 -0.31 -0.07 0.00 -1.16 0.00 0.00 32.46 31.37 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 -0.68 -1.88 -1.55 3.20 -1.27 -3.32 116.97 111.47 1ogy h TYR 96 Ca 0.00 -0.00 -0.55 0.00 3.14 0.00 0.00 58.73 61.32 1ogy h TYR 96 Cb 0.00 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.44 1ogy h TYR 96 CO 0.00 -0.39 1.21 -0.06 -1.64 0.00 0.00 178.16 177.28 1ogy s PHE 97 N -6.07 2.30 0.11 -3.82 0.40 -1.26 -4.82 117.98 104.82 1ogy s PHE 97 Ca -0.16 -0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 55.81 1ogy s PHE 97 Cb 0.06 -4.60 -0.08 0.00 0.51 0.00 0.00 43.02 38.92 1ogy s PHE 97 CO 0.64 -2.04 1.43 0.00 0.70 0.00 0.00 175.22 175.95 1ogy n THR 99 N -4.22 0.40 0.12 0.00 -2.24 -1.26 -0.27 114.28 106.81 1ogy n THR 99 Ca -0.03 0.64 -0.02 0.00 -2.27 0.00 0.00 64.05 62.37 1ogy n THR 99 Cb 0.49 -1.64 0.07 0.00 -2.10 0.00 0.00 70.33 67.15 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 0.56 0.71 0.00 6.98 0.00 -1.97 -3.38 119.26 122.16 1ogy h ALA 100 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1ogy h ALA 100 Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ogy h ALA 100 CO 0.00 0.87 -1.34 0.00 0.00 0.00 0.00 179.25 178.78 1ogy s HIS 102 N -2.12 3.25 -0.05 0.00 3.76 -0.84 -4.84 115.29 114.46 1ogy s HIS 102 Ca -0.05 0.14 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 1ogy s HIS 102 Cb 0.02 -2.33 -0.02 0.00 1.11 0.00 0.00 32.58 31.35 1ogy s HIS 102 CO 0.17 -0.09 -0.16 0.08 -0.85 0.00 0.00 174.74 173.90 1ogy s VAL 103 N 1.50 2.89 0.88 -0.90 1.01 -1.26 -4.46 120.40 120.05 1ogy s VAL 103 Ca 0.07 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1ogy s VAL 103 Cb -0.15 -2.12 0.18 0.00 0.00 0.00 0.00 36.38 34.29 1ogy s VAL 103 CO 0.08 0.59 1.20 -2.16 0.00 0.00 0.00 175.10 174.81 1ogy s PRO 104 N -0.69 0.96 0.04 2.72 0.04 -1.26 -0.00 135.00 136.81 1ogy s PRO 104 Ca 0.11 -0.77 -0.02 0.00 0.04 0.00 0.00 61.00 60.36 1ogy s PRO 104 Cb -0.11 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1ogy s PRO 104 CO 0.00 -2.08 -0.00 -0.65 0.04 0.00 0.00 177.00 174.31 1ogy s GLN 105 N -5.60 0.50 0.50 4.56 -0.21 -1.25 -4.77 119.66 113.39 1ogy s GLN 105 Ca 0.72 -0.91 0.03 0.00 0.02 0.00 0.00 55.36 55.22 1ogy s GLN 105 Cb -0.04 0.18 -0.01 0.00 1.00 0.00 0.00 33.01 34.15 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 -2.80 1.48 -0.77 -0.19 -4.23 -1.26 -0.23 115.64 107.64 1ogy s THR 106 Ca -0.03 -1.83 -0.22 0.00 -1.18 0.00 0.00 61.69 58.43 1ogy s THR 106 Cb -0.00 -2.31 0.09 0.00 1.34 0.00 0.00 72.50 71.62 1ogy s THR 106 CO -0.06 0.00 1.06 0.21 -0.54 0.00 0.00 174.62 175.29 1ogy s ASN 107 N -3.98 6.34 -0.02 3.99 2.47 -0.89 -4.83 114.94 118.02 1ogy s ASN 107 Ca 0.19 -1.34 -0.00 0.00 0.42 0.00 0.00 52.86 52.14 1ogy s ASN 107 Cb 0.01 -2.43 0.02 0.00 -1.45 0.00 0.00 41.25 37.41 1ogy s ASN 107 CO 0.11 -1.34 0.03 0.00 -3.72 0.00 0.00 177.10 172.18 1ogy s ALA 108 N 3.75 0.02 -0.19 1.71 0.00 -1.26 -4.60 121.76 121.19 1ogy s ALA 108 Ca 0.27 0.24 -0.24 0.00 0.00 0.00 0.00 51.96 52.23 1ogy s ALA 108 Cb -0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1ogy s ALA 108 CO 0.03 -0.08 0.78 -0.65 0.00 0.00 0.00 175.76 175.84 1ogy s GLN 109 N 0.72 4.26 0.22 0.00 -0.21 -1.26 -4.98 119.66 118.40 1ogy s GLN 109 Ca -0.06 0.90 -0.32 0.00 0.02 0.00 0.00 55.36 55.90 1ogy s GLN 109 Cb -0.08 -3.59 -0.13 0.00 1.00 0.00 0.00 33.01 30.21 1ogy s GLN 109 CO -0.02 -0.33 1.47 -2.30 -2.12 0.00 0.00 175.29 171.98 1ogy n PRO 110 N 5.30 2.10 0.00 2.91 -0.02 -1.26 -4.82 135.00 139.20 1ogy n PRO 110 Ca 0.03 0.75 0.07 0.00 -2.02 0.00 0.00 63.50 62.33 1ogy n PRO 110 Cb 0.49 -2.45 0.33 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.52 0.00 -3.63 2.45 4.77 -1.26 -4.71 117.00 117.14 1ogy n LEU 111 Ca 0.13 0.44 -0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1ogy n LEU 111 Cb 0.31 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.89 1ogy n LEU 111 CO 0.63 -0.22 0.53 -0.69 -1.33 0.00 0.00 177.39 176.31 1ogy s VAL 112 N -2.88 0.00 0.45 4.08 1.01 -1.26 -5.08 120.40 116.72 1ogy s VAL 112 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1ogy s VAL 112 Cb 0.10 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 1ogy s VAL 112 CO 0.25 0.00 1.11 0.42 0.00 0.00 0.00 175.10 176.88 1ogy s THR 113 N 0.48 3.40 -0.24 3.92 -4.23 -1.26 -5.02 115.64 112.70 1ogy s THR 113 Ca -0.00 1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.46 1ogy s THR 113 Cb -0.05 -3.49 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 1ogy s THR 113 CO -0.04 -0.05 0.02 0.21 -0.54 0.00 0.00 174.62 174.22 1ogy s ASN 114 N -1.55 4.76 -0.22 3.99 3.84 -1.26 -4.99 114.94 119.50 1ogy s ASN 114 Ca 0.63 -0.32 0.01 0.00 0.21 0.00 0.00 52.86 53.39 1ogy s ASN 114 Cb -0.24 -1.84 0.23 0.00 -0.55 0.00 0.00 41.25 38.85 1ogy s ASN 114 CO 0.30 -0.04 1.65 -0.62 -2.79 0.00 0.00 177.10 175.60 1ogy n GLU 115 N 4.86 1.57 -2.14 0.43 1.02 -1.26 -4.82 120.64 120.30 1ogy n GLU 115 Ca -0.17 -1.24 -0.41 0.00 -0.02 0.00 0.00 57.16 55.32 1ogy n GLU 115 Cb 0.51 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.40 3.14 0.12 -0.32 5.36 -1.26 -4.87 117.98 118.75 1ogy s PHE 116 Ca 0.24 1.26 0.05 0.00 -0.96 0.00 0.00 56.93 57.52 1ogy s PHE 116 Cb 0.20 -3.67 -0.04 0.00 -0.34 0.00 0.00 43.02 39.17 1ogy s PHE 116 CO 0.02 -2.02 0.02 1.03 -1.46 0.00 0.00 175.22 172.82 1ogy s ARG 117 N -0.80 2.58 0.39 10.12 1.81 -1.26 -1.59 118.95 130.20 1ogy s ARG 117 Ca 0.54 -0.90 -0.24 0.00 -1.72 0.00 0.00 55.73 53.41 1ogy s ARG 117 Cb -0.39 -2.52 -0.09 0.00 -0.45 0.00 0.00 34.95 31.50 1ogy s ARG 117 CO 0.45 0.51 1.02 0.34 -0.68 0.00 0.00 175.30 176.94 1ogy s ASP 118 N -2.57 6.86 0.12 0.23 2.15 -0.87 -4.79 116.67 117.80 1ogy s ASP 118 Ca 0.27 1.95 -0.21 0.00 0.43 0.00 0.00 52.55 55.00 1ogy s ASP 118 Cb -0.11 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 1ogy s ASP 118 CO 0.19 -0.42 1.70 0.24 -0.17 0.00 0.00 175.17 176.72 1ogy h MET 119 N 2.50 -0.04 -5.99 4.34 2.86 -1.93 -3.25 114.93 113.42 1ogy h MET 119 Ca -0.48 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.57 1ogy h MET 119 Cb 1.21 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.82 1ogy h MET 119 CO 0.62 -0.03 -0.14 -0.51 1.06 0.00 0.00 176.91 177.92 1ogy s LEU 120 N -10.38 4.43 -0.62 1.22 1.02 -1.26 -4.46 118.68 108.62 1ogy s LEU 120 Ca -0.14 1.00 -0.04 0.00 0.02 0.00 0.00 54.13 54.98 1ogy s LEU 120 Cb 0.10 -2.70 0.00 0.00 0.02 0.00 0.00 46.19 43.61 1ogy s LEU 120 CO 0.68 0.22 0.63 0.35 0.02 0.00 0.00 176.35 178.25 1ogy n THR 121 N 2.32 -9.87 -0.00 5.49 -2.24 -1.26 -4.59 114.28 104.14 1ogy n THR 121 Ca -0.11 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ogy n THR 121 Cb 0.52 -6.83 0.00 0.00 -2.10 0.00 0.00 70.33 61.92 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 -1.37 0.00 -4.87 3.22 4.77 -1.22 -4.42 117.00 113.11 1ogy n LEU 122 Ca 0.03 -0.31 -0.35 0.00 -0.03 0.00 0.00 56.01 55.35 1ogy n LEU 122 Cb 0.48 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1ogy n LEU 122 CO 0.49 -0.41 0.03 -0.32 -1.33 0.00 0.00 177.39 175.85 1ogy s MET 123 N 1.85 3.73 -0.01 3.23 1.75 -1.26 -4.71 119.30 123.87 1ogy s MET 123 Ca 0.00 0.14 -0.37 0.00 -1.25 0.00 0.00 55.69 54.21 1ogy s MET 123 Cb 0.00 -3.07 -0.15 0.00 2.84 0.00 0.00 34.83 34.45 1ogy s MET 123 CO 0.00 0.62 1.54 -2.30 -0.65 0.00 0.00 175.02 174.23 1ogy n PRO 124 N 1.18 1.43 -1.65 4.11 -0.02 -1.26 -2.06 135.00 136.72 1ogy n PRO 124 Ca -0.11 0.52 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 1ogy n PRO 124 Cb 0.53 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 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 3.83 0.69 -3.68 3.55 0.00 -0.62 -4.83 120.51 119.45 1ogy n ALA 125 Ca 0.21 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.88 1ogy n ALA 125 Cb 0.20 -2.16 -0.14 0.00 0.00 0.00 0.00 19.45 17.35 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 -0.37 0.36 -0.17 0.00 1.04 -1.26 -5.01 113.70 108.28 1ogy s SER 126 Ca 0.57 0.45 -0.12 0.00 0.48 0.00 0.00 55.95 57.34 1ogy s SER 126 Cb -0.63 0.44 -0.07 0.00 0.10 0.00 0.00 66.02 65.86 1ogy s SER 126 CO 0.61 -0.22 -0.27 0.59 0.98 0.00 0.00 173.24 174.93 1ogy n ASN 127 N 5.05 1.58 0.00 7.02 3.02 -1.26 -5.06 115.26 125.61 1ogy n ASN 127 Ca -0.11 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1ogy n ASN 127 Cb 0.50 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1ogy n ASN 127 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85