#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mms s ILE 9 N 0.00 3.90 0.02 1.69 -5.25 0.26 -4.98 121.20 116.84 1mms s ILE 9 Ca 0.00 -1.41 0.01 0.00 -0.99 0.00 0.00 60.65 58.26 1mms s ILE 9 Cb 0.00 -3.00 -0.01 0.00 2.95 0.00 0.00 42.46 42.40 1mms s ILE 9 CO 0.00 -0.16 -0.04 -1.59 -1.79 0.00 0.00 174.94 171.36 1mms s LYS 10 N -3.14 0.30 0.24 0.37 -2.85 -1.26 0.10 119.74 113.49 1mms s LYS 10 Ca 0.29 -0.41 -0.22 0.00 -1.00 0.00 0.00 55.97 54.63 1mms s LYS 10 Cb -0.09 -0.10 0.04 0.00 -2.06 0.00 0.00 37.83 35.62 1mms s LYS 10 CO 0.20 0.01 0.76 -0.48 0.10 0.00 0.00 175.35 175.94 1mms s LEU 11 N -0.87 -0.28 -0.49 2.77 0.05 -0.89 -5.00 118.68 113.98 1mms s LEU 11 Ca -0.07 -0.49 -0.01 0.00 0.05 0.00 0.00 54.13 53.60 1mms s LEU 11 Cb -0.06 2.59 0.13 0.00 -2.05 0.00 0.00 46.19 46.80 1mms s LEU 11 CO -0.00 -1.21 0.27 -1.10 -0.55 0.00 0.00 176.35 173.76 1mms s GLN 12 N -3.76 2.12 -0.09 1.48 -0.21 -1.26 -0.75 119.66 117.18 1mms s GLN 12 Ca 0.10 -2.17 -0.08 0.00 0.02 0.00 0.00 55.36 53.23 1mms s GLN 12 Cb -0.04 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 1mms s GLN 12 CO 0.04 -1.09 0.19 -0.51 -2.12 0.00 0.00 175.29 171.80 1mms s LEU 13 N 0.53 4.41 0.80 2.90 1.43 -0.95 -4.84 118.68 122.97 1mms s LEU 13 Ca 0.13 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.66 1mms s LEU 13 Cb -0.22 -2.18 0.08 0.00 0.03 0.00 0.00 46.19 43.90 1mms s LEU 13 CO -0.04 0.39 1.20 -2.16 0.23 0.00 0.00 176.35 175.97 1mms s PRO 14 N -1.06 1.66 0.00 1.29 0.04 -1.26 -2.23 135.00 133.44 1mms s PRO 14 Ca 0.17 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1mms s PRO 14 Cb -0.13 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1mms s PRO 14 CO 0.06 -2.19 0.00 0.00 0.04 0.00 0.00 177.00 174.91 1mms n ALA 15 N -3.31 0.00 -2.83 8.56 0.00 0.54 -3.79 120.51 119.68 1mms n ALA 15 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.13 1mms n ALA 15 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1mms n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mms n GLY 16 N 0.00 3.53 3.64 0.00 0.00 -1.25 -4.61 105.19 106.50 1mms n GLY 16 Ca 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 46.02 44.00 1mms n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mms s LYS 17 N 1.58 0.15 0.04 1.61 -2.85 -1.25 -5.04 119.74 113.97 1mms s LYS 17 Ca 0.43 0.16 -0.27 0.00 -1.00 0.00 0.00 55.97 55.29 1mms s LYS 17 Cb -0.00 0.07 0.09 0.00 -2.06 0.00 0.00 37.83 35.93 1mms s LYS 17 CO 0.01 -0.02 1.22 0.00 0.10 0.00 0.00 175.35 176.65 1mms s ALA 18 N -0.03 -2.20 0.00 0.59 0.00 -1.26 -4.52 121.76 114.34 1mms s ALA 18 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1mms s ALA 18 Cb -0.05 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1mms s ALA 18 CO -0.13 -1.11 0.00 2.41 0.00 0.00 0.00 175.76 176.93 1mms n THR 19 N -0.78 0.00 -1.66 0.00 -1.04 -1.26 -5.00 114.28 104.54 1mms n THR 19 Ca -0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1mms n THR 19 Cb 0.59 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.14 1mms n THR 19 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1mms n PRO 20 N -0.93 1.36 0.31 -2.82 -0.04 -1.26 -4.46 135.00 127.15 1mms n PRO 20 Ca 0.00 0.50 -0.12 0.00 -0.04 0.00 0.00 63.50 63.84 1mms n PRO 20 Cb 0.00 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.13 1mms n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mms h ALA 21 N 1.21 -0.87 -0.17 0.55 0.00 -1.97 -1.46 119.26 116.55 1mms h ALA 21 Ca -0.48 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.30 1mms h ALA 21 Cb 1.33 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 1mms h ALA 21 CO 0.55 -0.82 -0.36 -1.35 0.00 0.00 0.00 179.25 177.27 1mms h PRO 22 N -1.13 -0.40 0.42 0.00 0.11 -1.98 -3.21 132.00 125.81 1mms h PRO 22 Ca -0.08 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1mms h PRO 22 Cb 0.62 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1mms h PRO 22 CO 0.14 -0.27 -0.20 -1.35 -0.21 0.00 0.00 178.00 176.11 1mms h PRO 23 N -0.42 -0.55 0.00 1.05 0.11 -1.97 -3.46 132.00 126.77 1mms h PRO 23 Ca 0.10 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1mms h PRO 23 Cb 0.58 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1mms h PRO 23 CO -0.40 -0.36 0.00 0.28 -0.21 0.00 0.00 178.00 177.31 1mms n VAL 24 N -3.83 0.00 0.00 3.15 0.31 -0.79 -4.74 118.33 112.44 1mms n VAL 24 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1mms n VAL 24 Cb 0.22 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1mms n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mms n GLY 25 N 3.28 0.00 0.16 2.92 0.00 -0.62 -0.67 105.19 110.27 1mms n GLY 25 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1mms n GLY 25 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mms n PRO 26 N 0.00 -0.08 0.00 1.61 -0.02 -1.21 0.29 135.00 135.59 1mms n PRO 26 Ca 0.00 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1mms n PRO 26 Cb 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1mms n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mms n ALA 27 N -3.79 0.00 0.38 3.55 0.00 0.16 -2.01 120.51 118.79 1mms n ALA 27 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1mms n ALA 27 Cb 0.19 0.02 0.35 0.00 0.00 0.00 0.00 19.45 20.01 1mms n ALA 27 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1mms h LEU 28 N 0.00 0.00 -0.59 0.00 -0.00 -1.71 -3.09 115.31 109.92 1mms h LEU 28 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1mms h LEU 28 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1mms h LEU 28 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 1mms n GLY 29 N 0.92 -0.76 0.99 0.17 0.00 0.15 -0.68 105.19 105.97 1mms n GLY 29 Ca 0.04 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1mms n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mms n GLN 30 N -1.84 2.52 -0.00 1.61 10.64 -0.85 -4.20 117.38 125.25 1mms n GLN 30 Ca 0.00 -2.24 0.07 0.00 -1.83 0.00 0.00 57.00 53.00 1mms n GLN 30 Cb 0.05 -1.43 -0.10 0.00 -0.86 0.00 0.00 30.24 27.91 1mms n GLN 30 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1mms n HIS 31 N 1.15 0.00 0.00 2.61 8.25 0.14 -4.98 115.22 122.39 1mms n HIS 31 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1mms n HIS 31 Cb 0.52 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1mms n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mms n GLY 32 N 1.57 1.41 3.61 -1.41 0.00 -1.19 -5.01 105.19 104.18 1mms n GLY 32 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1mms n GLY 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mms n VAL 33 N 0.00 2.94 -3.43 1.61 0.31 -1.19 -4.85 118.33 113.72 1mms n VAL 33 Ca 0.00 -0.50 -0.44 0.00 -0.01 0.00 0.00 64.34 63.39 1mms n VAL 33 Cb 0.00 -1.17 -0.04 0.00 -0.91 0.00 0.00 33.84 31.72 1mms n VAL 33 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1mms s ASN 34 N -0.94 6.37 0.00 4.52 0.02 -1.26 -4.58 114.94 119.07 1mms s ASN 34 Ca 0.68 -2.74 0.00 0.00 -1.02 0.00 0.00 52.86 49.78 1mms s ASN 34 Cb -0.49 -2.12 0.00 0.00 0.02 0.00 0.00 41.25 38.66 1mms s ASN 34 CO 0.53 -0.52 0.30 -0.38 0.02 0.00 0.00 177.10 177.05 1mms n ILE 35 N 3.84 0.00 -0.21 0.60 2.08 -1.26 -1.68 119.36 122.72 1mms n ILE 35 Ca 0.12 0.48 0.02 0.00 0.56 0.00 0.00 62.75 63.93 1mms n ILE 35 Cb 0.45 -0.66 0.06 0.00 -0.75 0.00 0.00 39.64 38.74 1mms n ILE 35 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1mms n MET 36 N -1.75 -0.08 -0.37 0.38 1.56 -1.26 0.71 117.12 116.32 1mms n MET 36 Ca 0.00 0.89 -0.02 0.00 -0.27 0.00 0.00 57.70 58.30 1mms n MET 36 Cb 0.00 -1.33 0.11 0.00 2.15 0.00 0.00 33.22 34.15 1mms n MET 36 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1mms h GLU 37 N 0.00 1.31 -0.03 2.12 5.08 -1.77 -2.78 114.58 118.51 1mms h GLU 37 Ca 0.25 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1mms h GLU 37 Cb 0.40 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1mms h GLU 37 CO -0.58 0.87 -0.07 0.35 -1.00 0.00 0.00 179.01 178.58 1mms h PHE 38 N 1.34 0.13 -0.30 4.33 3.57 0.27 -1.89 116.94 124.39 1mms h PHE 38 Ca 0.36 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.87 1mms h PHE 38 Cb -0.14 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.50 1mms h PHE 38 CO 0.00 0.66 -0.40 0.00 -2.23 0.00 0.00 178.31 176.34 1mms h LYS 40 N -0.37 0.83 0.48 0.00 1.57 -1.61 -0.89 116.57 116.59 1mms h LYS 40 Ca 0.12 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1mms h LYS 40 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1mms h LYS 40 CO -0.50 0.85 -0.23 0.00 -0.57 0.00 0.00 179.45 179.00 1mms h ARG 41 N 0.70 -0.62 0.33 3.15 3.08 -0.46 -1.25 114.38 119.31 1mms h ARG 41 Ca 0.14 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1mms h ARG 41 Cb 0.45 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1mms h ARG 41 CO 0.02 -0.36 -0.47 0.35 -1.07 0.00 0.00 179.97 178.44 1mms h PHE 42 N -0.77 -1.33 0.00 3.04 3.57 0.25 -0.45 116.94 121.26 1mms h PHE 42 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1mms h PHE 42 Cb 0.55 0.54 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1mms h PHE 42 CO -0.02 -0.59 0.10 0.09 -2.23 0.00 0.00 178.31 175.66 1mms n ASN 43 N -5.22 0.05 0.04 0.41 3.02 -0.34 -1.81 115.26 111.42 1mms n ASN 43 Ca -0.10 0.44 -0.02 0.00 -0.03 0.00 0.00 54.58 54.87 1mms n ASN 43 Cb 0.40 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 1mms n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mms h ALA 44 N 1.63 -0.47 0.00 5.41 0.00 0.19 -3.34 119.26 122.68 1mms h ALA 44 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1mms h ALA 44 Cb 0.19 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1mms h ALA 44 CO 0.00 -0.46 -0.12 1.05 0.00 0.00 0.00 179.25 179.72 1mms h GLU 45 N -0.24 0.00 -0.57 0.00 9.09 -1.53 -2.88 114.58 118.46 1mms h GLU 45 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1mms h GLU 45 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1mms h GLU 45 CO 0.02 0.12 0.00 0.25 0.05 0.00 0.00 179.01 179.46 1mms n THR 46 N -3.21 0.00 0.00 -1.06 -2.24 -0.75 -2.55 114.28 104.48 1mms n THR 46 Ca 0.01 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.58 1mms n THR 46 Cb 0.44 -0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.22 1mms n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mms h ALA 47 N 1.94 0.23 -0.86 6.98 0.00 -1.62 -3.32 119.26 122.61 1mms h ALA 47 Ca 0.00 -1.16 0.18 0.00 0.00 0.00 0.00 54.91 53.92 1mms h ALA 47 Cb 0.28 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 1mms h ALA 47 CO 0.00 0.93 0.40 -0.44 0.00 0.00 0.00 179.25 180.13 1mms h ASP 48 N -0.26 0.40 -4.08 0.00 3.32 -1.73 -3.24 116.42 110.82 1mms h ASP 48 Ca -0.34 0.12 -0.65 0.00 0.02 0.00 0.00 57.03 56.18 1mms h ASP 48 Cb 1.80 0.08 -0.40 0.00 0.22 0.00 0.00 39.33 41.02 1mms h ASP 48 CO 0.05 0.11 -0.64 -0.54 -1.72 0.00 0.00 179.24 176.49 1mms s LYS 49 N -5.94 1.84 0.10 3.56 1.02 -1.25 -5.10 119.74 113.96 1mms s LYS 49 Ca -0.12 -2.32 0.06 0.00 0.02 0.00 0.00 55.97 53.61 1mms s LYS 49 Cb 0.23 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1mms s LYS 49 CO 0.78 -1.05 -0.04 0.00 -0.92 0.00 0.00 175.35 174.12 1mms s ALA 50 N 0.21 3.17 0.00 5.17 0.00 -1.23 -4.58 121.76 124.50 1mms s ALA 50 Ca 0.14 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1mms s ALA 50 Cb -0.23 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1mms s ALA 50 CO -0.03 0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.81 1mms n GLY 51 N 0.59 2.88 3.90 0.00 0.00 -1.26 -5.00 105.19 106.31 1mms n GLY 51 Ca -0.12 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1mms n GLY 51 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mms s MET 52 N 0.00 3.64 -0.38 1.61 1.00 -1.26 -4.76 119.30 119.15 1mms s MET 52 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 55.69 55.54 1mms s MET 52 Cb 0.00 -2.60 0.01 0.00 0.00 0.00 0.00 34.83 32.24 1mms s MET 52 CO 0.00 0.15 0.63 0.42 0.00 0.00 0.00 175.02 176.22 1mms s ILE 53 N -2.17 4.88 -0.09 2.53 1.01 -1.26 -0.34 121.20 125.75 1mms s ILE 53 Ca 0.45 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.56 1mms s ILE 53 Cb -0.11 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1mms s ILE 53 CO 0.31 -0.39 -0.16 -1.48 0.00 0.00 0.00 174.94 173.22 1mms s LEU 54 N 2.73 2.60 -0.01 2.97 2.34 -0.95 -4.23 118.68 124.13 1mms s LEU 54 Ca 0.24 -0.32 -0.27 0.00 0.06 0.00 0.00 54.13 53.84 1mms s LEU 54 Cb -0.14 -1.55 -0.04 0.00 -0.56 0.00 0.00 46.19 43.90 1mms s LEU 54 CO 0.16 0.24 0.86 -2.16 -1.06 0.00 0.00 176.35 174.40 1mms s PRO 55 N -0.12 4.52 0.05 1.48 0.04 -1.26 -2.23 135.00 137.48 1mms s PRO 55 Ca -0.02 1.21 0.09 0.00 0.04 0.00 0.00 61.00 62.31 1mms s PRO 55 Cb -0.14 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 1mms s PRO 55 CO 0.04 0.04 -0.25 0.54 0.04 0.00 0.00 177.00 177.41 1mms s VAL 56 N 0.76 2.00 -0.46 -0.36 0.11 0.08 -1.48 120.40 121.03 1mms s VAL 56 Ca 0.45 -1.35 -0.06 0.00 -2.93 0.00 0.00 61.98 58.10 1mms s VAL 56 Cb -0.20 -1.72 0.12 0.00 -1.53 0.00 0.00 36.38 33.05 1mms s VAL 56 CO 0.24 0.30 0.29 -0.69 -3.33 0.00 0.00 175.10 171.92 1mms s VAL 57 N -0.82 3.73 0.25 2.04 1.01 -0.17 -2.11 120.40 124.34 1mms s VAL 57 Ca 0.10 -2.05 -0.30 0.00 0.00 0.00 0.00 61.98 59.74 1mms s VAL 57 Cb -0.10 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1mms s VAL 57 CO 0.02 -0.75 0.98 -0.63 0.00 0.00 0.00 175.10 174.72 1mms s ILE 58 N 1.09 3.92 -0.11 2.22 -1.09 0.11 -2.29 121.20 125.04 1mms s ILE 58 Ca 0.08 1.92 -0.00 0.00 -2.23 0.00 0.00 60.65 60.42 1mms s ILE 58 Cb -0.24 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 1mms s ILE 58 CO -0.03 0.45 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.16 1mms s THR 59 N -1.19 1.08 -0.22 2.92 2.01 0.65 -0.57 115.64 120.33 1mms s THR 59 Ca 0.42 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 1mms s THR 59 Cb -0.27 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1mms s THR 59 CO 0.34 0.38 0.03 0.68 -0.69 0.00 0.00 174.62 175.36 1mms s VAL 60 N 1.63 4.16 0.35 3.82 -7.23 -1.26 -1.62 120.40 120.25 1mms s VAL 60 Ca 0.04 -0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 59.85 1mms s VAL 60 Cb -0.13 -2.90 -0.08 0.00 0.56 0.00 0.00 36.38 33.83 1mms s VAL 60 CO -0.08 0.40 0.73 -0.31 -0.31 0.00 0.00 175.10 175.53 1mms s TYR 61 N 1.17 3.42 0.35 2.82 2.02 -0.37 -4.62 117.35 122.13 1mms s TYR 61 Ca 0.04 1.09 0.27 0.00 -0.37 0.00 0.00 57.07 58.09 1mms s TYR 61 Cb -0.14 -2.45 1.15 0.00 -0.40 0.00 0.00 41.96 40.11 1mms s TYR 61 CO 0.02 0.02 1.17 -0.85 -1.57 0.00 0.00 175.55 174.34 1mms n GLU 62 N -0.77 -0.02 -0.17 -0.62 -0.00 -1.26 0.91 120.64 118.71 1mms n GLU 62 Ca 0.03 0.91 0.01 0.00 -0.00 0.00 0.00 57.16 58.10 1mms n GLU 62 Cb 0.53 -1.85 0.07 0.00 -0.00 0.00 0.00 31.44 30.19 1mms n GLU 62 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1mms n ASP 63 N -4.04 2.00 0.00 -1.84 5.75 -1.26 -4.85 116.55 112.30 1mms n ASP 63 Ca 0.31 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1mms n ASP 63 Cb 1.24 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1mms n ASP 63 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1mms n LYS 64 N 0.12 0.00 -1.18 0.11 4.01 0.26 -4.97 118.16 116.51 1mms n LYS 64 Ca 0.06 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.57 1mms n LYS 64 Cb 0.45 -2.99 0.19 0.00 -0.51 0.00 0.00 35.03 32.18 1mms n LYS 64 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1mms s SER 65 N -2.82 2.18 0.13 4.39 0.15 -1.24 -4.41 113.70 112.09 1mms s SER 65 Ca 0.00 0.99 -0.25 0.00 0.70 0.00 0.00 55.95 57.39 1mms s SER 65 Cb 0.00 -1.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.85 1mms s SER 65 CO 0.00 -3.38 0.80 0.72 1.20 0.00 0.00 173.24 172.58 1mms s PHE 66 N -3.02 -0.31 0.23 3.44 -0.12 -1.26 -1.24 117.98 115.70 1mms s PHE 66 Ca 0.67 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.60 1mms s PHE 66 Cb -0.16 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 1mms s PHE 66 CO 0.57 -0.83 0.16 0.95 -0.05 0.00 0.00 175.22 176.02 1mms s THR 67 N -3.48 0.01 -0.28 -4.49 -4.23 -0.64 -4.98 115.64 97.56 1mms s THR 67 Ca 0.07 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.35 1mms s THR 67 Cb -0.02 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.43 1mms s THR 67 CO -0.04 0.00 0.92 0.72 -0.54 0.00 0.00 174.62 175.68 1mms s PHE 68 N -4.01 -0.62 -0.14 3.99 -0.71 -1.26 -0.25 117.98 114.98 1mms s PHE 68 Ca 0.39 1.44 -0.09 0.00 -1.04 0.00 0.00 56.93 57.63 1mms s PHE 68 Cb 0.06 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1mms s PHE 68 CO 0.15 -0.30 0.15 0.96 -1.34 0.00 0.00 175.22 174.85 1mms s ILE 69 N 0.54 5.45 -0.24 -4.49 -4.36 -0.97 -4.88 121.20 112.24 1mms s ILE 69 Ca -0.00 0.24 -0.09 0.00 -0.26 0.00 0.00 60.65 60.54 1mms s ILE 69 Cb -0.05 -3.45 -0.04 0.00 1.25 0.00 0.00 42.46 40.17 1mms s ILE 69 CO -0.07 0.55 0.13 -0.63 0.24 0.00 0.00 174.94 175.16 1mms s ILE 70 N -0.49 5.06 0.55 8.37 1.09 -1.26 -0.99 121.20 133.52 1mms s ILE 70 Ca 0.13 0.08 0.07 0.00 -1.10 0.00 0.00 60.65 59.83 1mms s ILE 70 Cb -0.12 -3.36 0.07 0.00 -1.06 0.00 0.00 42.46 37.99 1mms s ILE 70 CO 0.02 0.35 0.56 0.29 -0.10 0.00 0.00 174.94 176.07 1mms n LYS 71 N 4.38 0.66 -2.59 2.79 5.02 -0.55 -5.03 118.16 122.84 1mms n LYS 71 Ca -0.15 -3.22 -0.35 0.00 -2.02 0.00 0.00 58.31 52.56 1mms n LYS 71 Cb 0.52 0.10 -0.04 0.00 -0.02 0.00 0.00 35.03 35.59 1mms n LYS 71 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mms s THR 72 N -2.60 3.85 0.63 -0.18 -4.23 -1.26 -4.30 115.64 107.55 1mms s THR 72 Ca 0.43 1.30 -0.18 0.00 -1.18 0.00 0.00 61.69 62.06 1mms s THR 72 Cb -0.03 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 1mms s THR 72 CO 0.27 -0.11 1.05 -0.81 -0.54 0.00 0.00 174.62 174.49 1mms n PRO 73 N -0.40 0.90 -1.08 3.99 -0.04 -1.26 -4.46 135.00 132.64 1mms n PRO 73 Ca 0.06 0.35 -0.35 0.00 -0.04 0.00 0.00 63.50 63.53 1mms n PRO 73 Cb 0.51 -2.27 0.09 0.00 -0.04 0.00 0.00 33.50 31.79 1mms n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1mms n PRO 74 N -1.37 0.08 0.02 0.54 -0.02 -1.26 -4.75 135.00 128.24 1mms n PRO 74 Ca 0.15 0.07 -0.13 0.00 -2.02 0.00 0.00 63.50 61.57 1mms n PRO 74 Cb 0.48 -1.82 -0.09 0.00 -0.02 0.00 0.00 33.50 32.05 1mms n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mms h ALA 75 N -0.82 -0.05 -0.91 3.55 0.00 -1.99 -1.83 119.26 117.21 1mms h ALA 75 Ca -0.45 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.48 1mms h ALA 75 Cb 1.32 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 1mms h ALA 75 CO 0.39 -0.36 0.48 0.66 0.00 0.00 0.00 179.25 180.41 1mms h SER 76 N -0.37 0.55 0.57 0.00 4.64 -1.92 0.19 113.55 117.21 1mms h SER 76 Ca -0.00 0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1mms h SER 76 Cb 0.34 0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1mms h SER 76 CO 0.01 0.17 -0.27 0.15 -0.87 0.00 0.00 176.83 176.02 1mms h PHE 77 N 0.60 -0.71 -0.73 4.77 3.57 -1.86 0.12 116.94 122.71 1mms h PHE 77 Ca 0.53 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.12 1mms h PHE 77 Cb 0.85 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 39.74 1mms h PHE 77 CO -0.08 -0.38 0.33 -0.07 -2.23 0.00 0.00 178.31 175.88 1mms h LEU 78 N -0.94 0.39 -0.16 0.59 3.38 -0.73 -0.86 115.31 116.98 1mms h LEU 78 Ca -0.08 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1mms h LEU 78 Cb 0.64 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1mms h LEU 78 CO 0.13 0.19 0.04 -0.07 0.09 0.00 0.00 178.44 178.82 1mms h LEU 79 N 0.53 0.03 0.03 1.67 3.38 -0.51 0.22 115.31 120.66 1mms h LEU 79 Ca 0.38 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.40 1mms h LEU 79 Cb 0.49 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1mms h LEU 79 CO -0.33 0.04 -0.42 0.11 0.09 0.00 0.00 178.44 177.94 1mms h LYS 80 N 0.11 -0.57 -0.30 1.13 1.57 -0.06 0.43 116.57 118.88 1mms h LYS 80 Ca 0.07 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1mms h LYS 80 Cb 0.05 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 1mms h LYS 80 CO -0.09 -0.38 -0.33 -0.22 -0.57 0.00 0.00 179.45 177.87 1mms h LYS 81 N -0.59 -0.29 -0.63 3.15 3.64 -0.71 -0.65 116.57 120.49 1mms h LYS 81 Ca 0.04 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1mms h LYS 81 Cb 0.66 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.47 1mms h LYS 81 CO -0.30 -0.20 0.26 0.00 -2.27 0.00 0.00 179.45 176.95 1mms h ALA 82 N 0.63 0.82 0.00 5.00 0.00 0.02 0.15 119.26 125.88 1mms h ALA 82 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1mms h ALA 82 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1mms h ALA 82 CO -0.47 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 178.62 1mms n ALA 83 N -2.45 2.54 -1.31 0.00 0.00 0.09 -4.87 120.51 114.50 1mms n ALA 83 Ca 0.09 -0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1mms n ALA 83 Cb 0.27 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 1mms n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mms n GLY 84 N 0.77 1.12 4.01 0.00 0.00 0.52 -4.63 105.19 106.99 1mms n GLY 84 Ca 0.21 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1mms n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mms s ILE 85 N -2.13 2.75 -0.07 -0.61 -4.36 -0.80 -5.00 121.20 110.98 1mms s ILE 85 Ca 0.00 -0.97 0.13 0.00 -0.26 0.00 0.00 60.65 59.55 1mms s ILE 85 Cb 0.00 -2.78 -0.20 0.00 1.25 0.00 0.00 42.46 40.74 1mms s ILE 85 CO 0.00 0.00 0.20 1.21 0.24 0.00 0.00 174.94 176.59 1mms n GLU 86 N -2.00 1.05 -4.07 0.37 4.07 -1.26 -4.33 120.64 114.47 1mms n GLU 86 Ca 0.10 -0.08 -0.09 0.00 -0.06 0.00 0.00 57.16 57.04 1mms n GLU 86 Cb 0.60 -1.35 -0.09 0.00 -0.06 0.00 0.00 31.44 30.54 1mms n GLU 86 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1mms s LYS 87 N -2.70 0.84 0.45 5.31 1.02 -1.26 -5.08 119.74 118.32 1mms s LYS 87 Ca -0.06 -1.27 -0.03 0.00 0.02 0.00 0.00 55.97 54.63 1mms s LYS 87 Cb 0.07 0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 37.61 1mms s LYS 87 CO 0.58 -0.23 0.72 0.20 -0.92 0.00 0.00 175.35 175.70 1mms s GLY 88 N -2.97 1.47 0.59 -3.33 0.00 -1.26 -4.99 107.32 96.82 1mms s GLY 88 Ca 0.15 -0.69 -0.18 0.00 0.00 0.00 0.00 44.72 44.00 1mms s GLY 88 CO -0.04 -0.55 0.66 -1.26 0.00 0.00 0.00 173.10 171.91 1mms n SER 89 N -2.15 -0.50 0.15 1.64 2.88 -0.43 -4.84 113.62 110.36 1mms n SER 89 Ca -0.00 0.75 0.12 0.00 -1.33 0.00 0.00 58.87 58.41 1mms n SER 89 Cb 0.56 -1.24 0.21 0.00 -0.75 0.00 0.00 64.21 62.99 1mms n SER 89 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1mms h SER 90 N 0.27 0.00 -2.37 -3.46 4.64 -1.91 -3.38 113.55 107.34 1mms h SER 90 Ca -0.46 -0.03 -0.56 0.00 -0.47 0.00 0.00 61.79 60.26 1mms h SER 90 Cb 1.39 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.11 1mms h SER 90 CO 0.48 0.02 -0.91 -1.61 -0.87 0.00 0.00 176.83 173.94 1mms s GLU 91 N -3.20 0.78 0.33 4.77 2.02 -1.26 -5.11 118.70 117.04 1mms s GLU 91 Ca 0.07 -1.77 -0.27 0.00 0.02 0.00 0.00 54.97 53.02 1mms s GLU 91 Cb 0.09 -1.30 -0.13 0.00 0.10 0.00 0.00 34.13 32.89 1mms s GLU 91 CO 0.68 -1.32 1.02 -2.30 0.02 0.00 0.00 175.26 173.35 1mms n PRO 92 N 3.29 1.41 0.00 0.39 -0.02 -1.26 -0.74 135.00 138.06 1mms n PRO 92 Ca 0.23 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1mms n PRO 92 Cb 0.45 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1mms n PRO 92 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1mms n LYS 93 N 0.57 0.00 0.11 -0.52 4.81 -1.26 -4.49 118.16 117.37 1mms n LYS 93 Ca 0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.49 1mms n LYS 93 Cb 0.34 -0.08 0.11 0.00 0.02 0.00 0.00 35.03 35.42 1mms n LYS 93 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1mms h ARG 94 N 0.00 0.10 -3.14 1.64 3.08 -1.85 -3.42 114.38 110.80 1mms h ARG 94 Ca 0.00 -0.08 -0.40 0.00 0.07 0.00 0.00 59.98 59.57 1mms h ARG 94 Cb 0.00 0.02 -0.40 0.00 0.08 0.00 0.00 29.97 29.67 1mms h ARG 94 CO 0.00 0.74 -0.73 0.15 -1.07 0.00 0.00 179.97 179.06 1mms s LYS 95 N -3.52 0.01 -0.10 0.04 1.02 0.08 -5.07 119.74 112.19 1mms s LYS 95 Ca -0.02 0.17 -0.23 0.00 0.02 0.00 0.00 55.97 55.91 1mms s LYS 95 Cb 0.12 -1.14 -0.03 0.00 -0.52 0.00 0.00 37.83 36.25 1mms s LYS 95 CO 0.79 -0.50 0.71 0.42 -0.92 0.00 0.00 175.35 175.84 1mms s ILE 96 N 2.17 5.02 -1.57 2.17 -1.09 -1.26 -4.57 121.20 122.08 1mms s ILE 96 Ca 0.04 1.43 0.13 0.00 -2.23 0.00 0.00 60.65 60.02 1mms s ILE 96 Cb -0.14 -4.04 0.08 0.00 -1.58 0.00 0.00 42.46 36.78 1mms s ILE 96 CO -0.06 0.20 0.88 1.33 -1.23 0.00 0.00 174.94 176.06 1mms n VAL 97 N 4.03 0.00 -3.93 2.92 0.24 -0.23 -5.04 118.33 116.33 1mms n VAL 97 Ca -0.00 -0.47 0.01 0.00 -2.04 0.00 0.00 64.34 61.84 1mms n VAL 97 Cb 0.51 1.25 0.01 0.00 -1.47 0.00 0.00 33.84 34.14 1mms n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mms n GLY 98 N 0.83 0.42 3.44 7.63 0.00 -1.17 -4.94 105.19 111.40 1mms n GLY 98 Ca 0.07 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1mms n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mms s LYS 99 N -2.02 1.19 0.02 1.61 -2.85 -1.26 -1.50 119.74 114.93 1mms s LYS 99 Ca 0.22 -0.26 -0.03 0.00 -1.00 0.00 0.00 55.97 54.90 1mms s LYS 99 Cb -0.01 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 1mms s LYS 99 CO 0.01 -0.48 0.04 0.14 0.10 0.00 0.00 175.35 175.16 1mms s VAL 100 N -2.94 0.11 0.59 1.79 -7.23 0.21 -4.40 120.40 108.54 1mms s VAL 100 Ca -0.03 -0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 59.06 1mms s VAL 100 Cb -0.01 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 1mms s VAL 100 CO -0.06 -0.52 1.02 0.42 -0.31 0.00 0.00 175.10 175.66 1mms s THR 101 N -1.82 4.42 0.47 5.32 -4.23 -1.24 -0.25 115.64 118.31 1mms s THR 101 Ca -0.12 0.96 0.15 0.00 -1.18 0.00 0.00 61.69 61.50 1mms s THR 101 Cb -0.06 -3.68 0.31 0.00 1.34 0.00 0.00 72.50 70.40 1mms s THR 101 CO -0.02 -0.86 2.06 -0.09 -0.54 0.00 0.00 174.62 175.18 1mms h ARG 102 N 0.17 0.23 -0.49 3.99 1.12 -1.57 0.49 114.38 118.33 1mms h ARG 102 Ca -0.45 -0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.30 1mms h ARG 102 Cb 1.20 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 31.08 1mms h ARG 102 CO 0.60 0.15 -0.09 -0.22 -3.11 0.00 0.00 179.97 177.30 1mms h LYS 103 N 0.24 0.88 -0.82 0.20 1.63 -1.92 -2.14 116.57 114.64 1mms h LYS 103 Ca 0.15 -0.30 -0.03 0.00 -0.85 0.00 0.00 60.65 59.62 1mms h LYS 103 Cb 0.29 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 1mms h LYS 103 CO -0.03 0.94 0.38 1.96 -3.45 0.00 0.00 179.45 179.25 1mms h GLN 104 N 0.80 1.19 -0.89 1.90 4.20 -1.28 0.13 115.11 121.15 1mms h GLN 104 Ca 0.13 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1mms h GLN 104 Cb 0.61 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1mms h GLN 104 CO 0.04 0.92 0.59 0.82 -0.67 0.00 0.00 178.83 180.53 1mms h ILE 105 N 1.17 1.21 -0.69 2.54 1.08 -1.10 -0.89 117.51 120.83 1mms h ILE 105 Ca 0.28 -0.41 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1mms h ILE 105 Cb 0.13 -0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 33.77 1mms h ILE 105 CO -0.03 0.22 0.45 -0.08 -0.69 0.00 0.00 178.15 178.01 1mms h GLU 106 N 1.18 0.88 0.09 2.37 4.81 -0.53 0.78 114.58 124.16 1mms h GLU 106 Ca 0.33 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1mms h GLU 106 Cb -0.10 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.08 1mms h GLU 106 CO -0.08 0.58 -0.04 0.93 -0.73 0.00 0.00 179.01 179.67 1mms h GLU 107 N 0.91 -0.12 -0.20 1.92 5.08 0.07 -0.47 114.58 121.77 1mms h GLU 107 Ca 0.26 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1mms h GLU 107 Cb -0.08 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1mms h GLU 107 CO -0.07 0.02 0.12 0.82 -1.00 0.00 0.00 179.01 178.90 1mms h ILE 108 N -0.22 1.09 -0.88 3.13 2.04 -1.03 0.21 117.51 121.85 1mms h ILE 108 Ca -0.01 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1mms h ILE 108 Cb 0.18 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1mms h ILE 108 CO 0.02 0.09 0.57 0.00 0.00 0.00 0.00 178.15 178.83 1mms h ALA 109 N 1.02 1.61 -0.31 1.87 0.00 -0.75 0.15 119.26 122.84 1mms h ALA 109 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1mms h ALA 109 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1mms h ALA 109 CO -0.01 0.23 -0.24 0.87 0.00 0.00 0.00 179.25 180.10 1mms h LYS 110 N 0.92 0.72 -0.43 0.00 6.56 -0.31 -1.38 116.57 122.64 1mms h LYS 110 Ca 0.40 -0.35 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 1mms h LYS 110 Cb 0.33 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 1mms h LYS 110 CO -0.16 0.96 0.25 1.15 -2.06 0.00 0.00 179.45 179.59 1mms h THR 111 N 0.48 1.15 -0.01 -0.16 2.02 0.81 -2.80 112.91 114.39 1mms h THR 111 Ca 0.06 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1mms h THR 111 Cb 0.80 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1mms h THR 111 CO 0.06 0.16 -0.05 0.29 0.37 0.00 0.00 175.52 176.35 1mms n LYS 112 N -4.72 1.16 -0.27 6.66 5.02 0.39 -4.41 118.16 121.98 1mms n LYS 112 Ca 0.01 -0.47 0.07 0.00 -2.02 0.00 0.00 58.31 55.90 1mms n LYS 112 Cb 0.07 -1.49 0.19 0.00 -0.02 0.00 0.00 35.03 33.79 1mms n LYS 112 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1mms h MET 113 N 1.14 0.12 -0.63 1.97 4.05 -0.96 0.19 114.93 120.81 1mms h MET 113 Ca 0.00 -0.01 0.17 0.00 -0.28 0.00 0.00 59.70 59.59 1mms h MET 113 Cb 0.32 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 1mms h MET 113 CO 0.00 0.08 0.45 -1.00 0.23 0.00 0.00 176.91 176.67 1mms h PRO 114 N 0.13 0.05 -0.02 0.39 0.13 -1.81 0.06 132.00 130.93 1mms h PRO 114 Ca 0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.58 1mms h PRO 114 Cb 0.83 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1mms h PRO 114 CO -0.67 0.04 -0.27 -0.25 -0.23 0.00 0.00 178.00 176.61 1mms n ASP 115 N -4.37 2.27 -4.92 1.44 8.00 0.56 -4.94 116.55 114.59 1mms n ASP 115 Ca 0.12 -1.64 -0.27 0.00 0.71 0.00 0.00 54.79 53.71 1mms n ASP 115 Cb 0.66 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 1mms n ASP 115 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1mms s LEU 116 N -2.29 4.14 -0.21 0.64 1.02 0.01 -5.01 118.68 116.98 1mms s LEU 116 Ca 0.23 0.51 0.15 0.00 0.02 0.00 0.00 54.13 55.05 1mms s LEU 116 Cb 0.19 -3.31 0.53 0.00 0.02 0.00 0.00 46.19 43.62 1mms s LEU 116 CO 0.46 -0.14 1.44 -0.46 0.02 0.00 0.00 176.35 177.68 1mms n ASN 117 N -0.94 3.64 -4.76 2.29 6.94 -1.26 -4.93 115.26 116.23 1mms n ASN 117 Ca -0.04 -3.17 -0.39 0.00 -0.02 0.00 0.00 54.58 50.97 1mms n ASN 117 Cb 0.54 -0.57 -0.06 0.00 -2.36 0.00 0.00 39.78 37.34 1mms n ASN 117 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mms s ALA 118 N -2.92 3.29 -1.96 -2.53 0.00 -1.26 -4.95 121.76 111.44 1mms s ALA 118 Ca 0.43 0.63 0.28 0.00 0.00 0.00 0.00 51.96 53.29 1mms s ALA 118 Cb 0.36 -3.22 0.98 0.00 0.00 0.00 0.00 23.12 21.24 1mms s ALA 118 CO 0.07 0.13 1.70 0.09 0.00 0.00 0.00 175.76 177.76 1mms n ASN 119 N 1.07 1.01 -3.78 0.00 3.02 -1.26 -4.88 115.26 110.43 1mms n ASN 119 Ca -0.00 -1.01 -0.13 0.00 -0.03 0.00 0.00 54.58 53.41 1mms n ASN 119 Cb 0.48 0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.61 1mms n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1mms s SER 120 N -2.33 -0.14 0.52 6.41 1.04 -1.26 -5.02 113.70 112.92 1mms s SER 120 Ca 0.30 -0.01 0.21 0.00 0.48 0.00 0.00 55.95 56.93 1mms s SER 120 Cb 0.20 0.30 1.33 0.00 0.10 0.00 0.00 66.02 67.94 1mms s SER 120 CO 0.45 -0.45 2.05 0.25 0.98 0.00 0.00 173.24 176.52 1mms h LEU 121 N 3.86 0.02 -0.14 2.42 5.85 -1.99 -0.60 115.31 124.73 1mms h LEU 121 Ca -0.30 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1mms h LEU 121 Cb 1.18 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1mms h LEU 121 CO 0.41 0.02 0.01 -0.33 -0.34 0.00 0.00 178.44 178.21 1mms h GLU 122 N 0.03 0.24 -0.65 1.25 3.07 -1.99 -1.40 114.58 115.13 1mms h GLU 122 Ca 0.16 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1mms h GLU 122 Cb 0.61 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 1mms h GLU 122 CO -0.01 0.45 0.29 0.00 -1.40 0.00 0.00 179.01 178.35 1mms h ALA 123 N 0.78 1.30 -0.44 3.43 0.00 -1.58 -1.17 119.26 121.57 1mms h ALA 123 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1mms h ALA 123 Cb 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1mms h ALA 123 CO 0.01 0.53 0.23 0.00 0.00 0.00 0.00 179.25 180.02 1mms h ALA 124 N 1.40 0.57 -0.37 0.00 0.00 -0.92 -1.39 119.26 118.54 1mms h ALA 124 Ca 0.22 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1mms h ALA 124 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1mms h ALA 124 CO -0.03 0.10 -0.12 0.52 0.00 0.00 0.00 179.25 179.72 1mms h MET 125 N 0.57 0.66 -0.38 0.00 2.86 -0.84 -1.51 114.93 116.29 1mms h MET 125 Ca 0.15 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1mms h MET 125 Cb 0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1mms h MET 125 CO -0.02 0.76 0.05 0.87 1.06 0.00 0.00 176.91 179.62 1mms h LYS 126 N 0.60 0.58 0.20 1.72 1.57 -0.78 0.10 116.57 120.56 1mms h LYS 126 Ca 0.10 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1mms h LYS 126 Cb 0.55 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1mms h LYS 126 CO 0.03 0.57 -0.10 0.82 -0.57 0.00 0.00 179.45 180.20 1mms h ILE 127 N 0.56 0.88 -0.87 1.86 2.04 -0.50 -2.45 117.51 119.03 1mms h ILE 127 Ca 0.12 -0.72 0.09 0.00 1.00 0.00 0.00 64.86 65.35 1mms h ILE 127 Cb 0.28 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 1mms h ILE 127 CO 0.00 0.16 0.53 0.40 0.00 0.00 0.00 178.15 179.24 1mms h ILE 128 N -0.65 0.96 -0.22 -0.67 1.08 -1.00 -0.91 117.51 116.11 1mms h ILE 128 Ca -0.03 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 1mms h ILE 128 Cb 0.47 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 1mms h ILE 128 CO 0.05 0.16 0.05 -0.33 -0.69 0.00 0.00 178.15 177.39 1mms h GLU 129 N 0.90 0.31 -0.43 2.37 5.08 -0.75 -1.15 114.58 120.91 1mms h GLU 129 Ca 0.41 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 1mms h GLU 129 Cb 0.31 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1mms h GLU 129 CO -0.22 0.30 0.10 0.78 -1.00 0.00 0.00 179.01 178.97 1mms h GLY 130 N 0.52 0.68 0.82 -3.84 0.00 -0.66 -0.50 103.07 100.08 1mms h GLY 130 Ca 0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1mms h GLY 130 CO -0.00 0.35 -0.47 -0.84 0.00 0.00 0.00 176.54 175.57 1mms h THR 131 N 0.62 1.39 -0.86 4.70 2.02 -1.11 -2.99 112.91 116.68 1mms h THR 131 Ca 0.14 -1.84 0.03 0.00 0.77 0.00 0.00 66.41 65.51 1mms h THR 131 Cb 0.24 2.29 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 1mms h THR 131 CO -0.00 0.54 0.56 0.00 0.37 0.00 0.00 175.52 176.99 1mms h ALA 132 N 0.44 1.12 0.00 6.16 0.00 -1.06 0.02 119.26 125.94 1mms h ALA 132 Ca -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1mms h ALA 132 Cb 1.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1mms h ALA 132 CO 0.10 0.42 -0.04 0.87 0.00 0.00 0.00 179.25 180.60 1mms h LYS 133 N 1.10 0.00 0.00 0.00 1.57 -1.09 -1.81 116.57 116.34 1mms h LYS 133 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1mms h LYS 133 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1mms h LYS 133 CO -0.10 0.04 -0.45 -1.13 -0.57 0.00 0.00 179.45 177.23 1mms n SER 134 N -3.39 0.46 -0.33 0.86 3.41 -0.03 -4.10 113.62 110.49 1mms n SER 134 Ca -0.02 -0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.56 1mms n SER 134 Cb 0.17 0.15 0.15 0.00 -0.26 0.00 0.00 64.21 64.42 1mms n SER 134 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1mms n MET 135 N -1.57 1.29 -3.32 4.33 0.00 -0.75 -4.66 117.12 112.44 1mms n MET 135 Ca 0.05 -2.75 -0.22 0.00 0.00 0.00 0.00 57.70 54.79 1mms n MET 135 Cb 0.35 -1.44 0.06 0.00 0.00 0.00 0.00 33.22 32.18 1mms n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1mms n GLY 136 N -1.18 -0.44 3.22 3.17 0.00 -1.17 -1.32 105.19 107.47 1mms n GLY 136 Ca 0.16 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1mms n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mms s ILE 137 N -3.24 2.49 0.39 -0.61 1.01 -0.81 -1.06 121.20 119.37 1mms s ILE 137 Ca 0.45 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1mms s ILE 137 Cb -0.20 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1mms s ILE 137 CO 0.56 0.52 0.62 -1.61 0.00 0.00 0.00 174.94 175.02 1mms s GLU 138 N 1.02 3.43 -0.10 2.79 2.02 -0.56 -4.08 118.70 123.21 1mms s GLU 138 Ca -0.02 -0.25 0.02 0.00 0.02 0.00 0.00 54.97 54.75 1mms s GLU 138 Cb -0.15 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 1mms s GLU 138 CO -0.04 0.01 -0.16 0.14 0.02 0.00 0.00 175.26 175.23 1mms s VAL 139 N -2.44 2.83 0.00 2.63 -7.23 -1.25 0.64 120.40 115.58 1mms s VAL 139 Ca 0.43 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 1mms s VAL 139 Cb -0.10 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.70 1mms s VAL 139 CO 0.38 0.55 0.08 1.33 -0.31 0.00 0.00 175.10 177.14