#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kll s ARG 4 N 0.00 1.22 -0.06 0.00 1.70 -1.26 -5.11 118.95 115.45 1kll s ARG 4 Ca 0.00 -0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 54.50 1kll s ARG 4 Cb 0.00 -1.13 -0.04 0.00 -0.57 0.00 0.00 34.95 33.21 1kll s ARG 4 CO 0.00 0.23 1.33 0.42 -1.08 0.00 0.00 175.30 176.20 1kll s ILE 5 N -0.09 3.99 -0.04 4.99 1.01 -1.26 -4.86 121.20 124.94 1kll s ILE 5 Ca 0.01 1.31 0.05 0.00 0.00 0.00 0.00 60.65 62.01 1kll s ILE 5 Cb -0.08 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 1kll s ILE 5 CO 0.00 -0.04 0.05 -0.24 0.00 0.00 0.00 174.94 174.72 1kll n SER 6 N 5.72 3.71 -3.63 3.58 2.88 -1.26 -4.91 113.62 119.71 1kll n SER 6 Ca 0.13 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.52 1kll n SER 6 Cb 0.45 0.80 -0.07 0.00 -0.75 0.00 0.00 64.21 64.63 1kll n SER 6 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1kll s LEU 7 N -4.12 -0.40 -0.09 2.46 0.20 -1.26 -1.82 118.68 113.66 1kll s LEU 7 Ca -0.02 1.06 0.03 0.00 0.69 0.00 0.00 54.13 55.89 1kll s LEU 7 Cb 0.02 2.20 -0.02 0.00 -0.43 0.00 0.00 46.19 47.97 1kll s LEU 7 CO 0.22 -0.33 -0.17 -0.36 -0.29 0.00 0.00 176.35 175.41 1kll s PHE 8 N -0.15 2.67 0.05 5.38 0.08 -0.03 -4.96 117.98 121.01 1kll s PHE 8 Ca -0.04 -0.58 0.08 0.00 0.12 0.00 0.00 56.93 56.51 1kll s PHE 8 Cb -0.03 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1kll s PHE 8 CO 0.03 -0.13 -0.23 0.00 -0.10 0.00 0.00 175.22 174.79 1kll s ALA 9 N -0.05 1.97 -0.04 5.36 0.00 -1.26 -0.30 121.76 127.43 1kll s ALA 9 Ca -0.04 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1kll s ALA 9 Cb -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1kll s ALA 9 CO 0.04 0.45 -0.14 0.08 0.00 0.00 0.00 175.76 176.19 1kll s VAL 10 N -0.81 1.22 -0.18 0.00 1.01 0.29 -4.95 120.40 116.98 1kll s VAL 10 Ca 0.09 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 1kll s VAL 10 Cb -0.09 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1kll s VAL 10 CO 0.02 0.36 0.56 -0.69 0.00 0.00 0.00 175.10 175.36 1kll s VAL 11 N 0.22 5.08 -0.02 2.92 1.01 -1.26 -0.95 120.40 127.41 1kll s VAL 11 Ca -0.06 1.07 0.06 0.00 0.00 0.00 0.00 61.98 63.04 1kll s VAL 11 Cb -0.12 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1kll s VAL 11 CO 0.02 0.18 -0.19 0.68 0.00 0.00 0.00 175.10 175.80 1kll s VAL 12 N 1.54 2.70 0.15 2.92 -7.23 0.47 -4.93 120.40 116.02 1kll s VAL 12 Ca 0.27 -0.95 0.09 0.00 -1.81 0.00 0.00 61.98 59.58 1kll s VAL 12 Cb -0.16 -2.05 -0.13 0.00 0.56 0.00 0.00 36.38 34.61 1kll s VAL 12 CO 0.10 0.53 1.40 -0.33 -0.31 0.00 0.00 175.10 176.49 1kll h GLU 13 N 5.19 0.00 -4.30 4.82 4.39 -1.96 -2.46 114.58 120.26 1kll h GLU 13 Ca -0.46 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 58.93 1kll h GLU 13 Cb 1.14 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.70 1kll h GLU 13 CO 0.49 0.84 -0.28 0.34 -1.16 0.00 0.00 179.01 179.24 1kll s ASP 14 N -6.73 1.00 0.00 1.42 3.68 -1.26 -4.77 116.67 110.01 1kll s ASP 14 Ca 0.00 -1.52 0.00 0.00 2.13 0.00 0.00 52.55 53.16 1kll s ASP 14 Cb 0.11 0.62 0.00 0.00 -1.45 0.00 0.00 42.92 42.20 1kll s ASP 14 CO 0.80 -1.22 0.00 0.00 0.13 0.00 0.00 175.17 174.88 1kll n ALA 16 N -0.55 0.00 -0.20 3.66 0.00 -1.26 -1.41 120.51 120.75 1kll n ALA 16 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1kll n ALA 16 Cb 0.62 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.09 1kll n ALA 16 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1kll h LYS 17 N 0.00 1.01 -1.82 0.00 1.57 -1.98 -1.52 116.57 113.82 1kll h LYS 17 Ca 0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1kll h LYS 17 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1kll h LYS 17 CO 0.00 1.01 0.00 0.43 -0.57 0.00 0.00 179.45 180.32 1kll n SER 18 N -4.22 1.12 0.00 0.86 7.64 -0.50 -2.84 113.62 115.67 1kll n SER 18 Ca 0.02 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1kll n SER 18 Cb 0.35 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1kll n SER 18 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1kll n GLU 20 N 1.24 0.00 0.05 1.43 2.13 -0.57 -1.70 120.64 123.21 1kll n GLU 20 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1kll n GLU 20 Cb 0.14 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.78 1kll n GLU 20 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1kll h PHE 21 N 0.00 -0.05 -0.06 4.31 3.57 -1.80 -2.10 116.94 120.80 1kll h PHE 21 Ca 0.00 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1kll h PHE 21 Cb 0.00 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1kll h PHE 21 CO 0.00 0.07 -0.54 1.88 -2.23 0.00 0.00 178.31 177.49 1kll h TYR 22 N -0.17 0.23 -0.53 0.41 0.05 -1.64 -2.32 116.97 113.01 1kll h TYR 22 Ca -0.01 -0.08 0.06 0.00 0.05 0.00 0.00 58.73 58.75 1kll h TYR 22 Cb 0.15 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 37.79 1kll h TYR 22 CO -0.04 0.68 0.24 -0.09 -1.05 0.00 0.00 178.16 177.90 1kll h ARG 23 N 0.14 0.45 -2.26 4.88 2.43 -1.73 -1.95 114.38 116.35 1kll h ARG 23 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1kll h ARG 23 Cb 1.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1kll h ARG 23 CO 0.08 0.29 0.09 1.63 -1.51 0.00 0.00 179.97 180.56 1kll n LYS 24 N -4.92 0.35 0.00 0.20 5.02 -0.79 -4.05 118.16 113.96 1kll n LYS 24 Ca 0.05 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1kll n LYS 24 Cb 0.17 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1kll n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kll n GLY 26 N 2.22 0.65 3.73 0.72 0.00 -1.07 -5.11 105.19 106.33 1kll n GLY 26 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1kll n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kll s VAL 27 N -0.09 3.54 -0.60 1.61 1.01 -0.76 -4.95 120.40 120.17 1kll s VAL 27 Ca 0.00 1.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.98 1kll s VAL 27 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1kll s VAL 27 CO 0.00 0.19 1.93 -0.70 0.00 0.00 0.00 175.10 176.52 1kll s GLU 28 N -0.05 2.56 -0.19 2.72 2.56 -1.26 -4.27 118.70 120.77 1kll s GLU 28 Ca 0.54 0.71 -0.08 0.00 0.00 0.00 0.00 54.97 56.14 1kll s GLU 28 Cb -0.33 -4.41 -0.04 0.00 2.00 0.00 0.00 34.13 31.34 1kll s GLU 28 CO 0.36 -2.80 0.09 0.42 -0.56 0.00 0.00 175.26 172.77 1kll s ILE 29 N 9.47 5.05 0.44 -3.70 -1.09 -1.26 -4.63 121.20 125.48 1kll s ILE 29 Ca 0.71 0.06 -0.22 0.00 -2.23 0.00 0.00 60.65 58.97 1kll s ILE 29 Cb -0.13 -3.28 -0.12 0.00 -1.58 0.00 0.00 42.46 37.35 1kll s ILE 29 CO 0.21 0.46 0.64 -2.65 -1.23 0.00 0.00 174.94 172.37 1kll n PRO 30 N 3.46 0.70 -1.58 2.79 -0.02 -1.26 -4.91 135.00 134.19 1kll n PRO 30 Ca -0.16 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 1kll n PRO 30 Cb 0.52 -1.64 0.02 0.00 -0.02 0.00 0.00 33.50 32.39 1kll n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kll n ALA 31 N -0.92 -0.11 -0.92 3.55 0.00 -1.26 -2.96 120.51 117.89 1kll n ALA 31 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1kll n ALA 31 Cb 0.41 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1kll n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kll n GLU 32 N -0.12 -0.90 0.30 0.00 1.02 -1.26 -4.82 120.64 114.86 1kll n GLU 32 Ca 0.11 0.22 0.19 0.00 -0.02 0.00 0.00 57.16 57.66 1kll n GLU 32 Cb 0.42 -4.09 1.02 0.00 -0.02 0.00 0.00 31.44 28.77 1kll n GLU 32 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kll h ALA 33 N 0.00 1.35 0.00 0.62 0.00 -1.90 -2.17 119.26 117.16 1kll h ALA 33 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kll h ALA 33 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kll h ALA 33 CO 0.00 -0.08 -0.01 -0.44 0.00 0.00 0.00 179.25 178.73 1kll h ASP 34 N 0.00 0.00 -0.01 0.00 3.32 -1.88 -1.60 116.42 116.25 1kll h ASP 34 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1kll h ASP 34 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1kll h ASP 34 CO -0.00 0.01 -0.04 -1.20 -1.72 0.00 0.00 179.24 176.28 1kll n SER 35 N -3.69 2.22 -4.85 6.45 7.64 -0.81 -4.35 113.62 116.24 1kll n SER 35 Ca -0.03 -1.71 -0.34 0.00 1.01 0.00 0.00 58.87 57.80 1kll n SER 35 Cb 0.09 0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 1kll n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kll s ALA 36 N -2.06 3.48 -0.25 -0.43 0.00 -0.61 -4.96 121.76 116.93 1kll s ALA 36 Ca 0.31 -0.07 0.26 0.00 0.00 0.00 0.00 51.96 52.47 1kll s ALA 36 Cb 0.20 -2.62 0.67 0.00 0.00 0.00 0.00 23.12 21.37 1kll s ALA 36 CO 0.34 0.41 1.73 -1.00 0.00 0.00 0.00 175.76 177.25 1kll h PRO 37 N 2.95 0.00 -2.95 0.00 0.13 -1.93 -3.45 132.00 126.75 1kll h PRO 37 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1kll h PRO 37 Cb 1.18 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.02 1kll h PRO 37 CO 0.66 0.01 -0.46 -1.58 -0.23 0.00 0.00 178.00 176.41 1kll s HIS 38 N -3.36 -0.38 0.02 1.56 5.65 -1.26 -1.58 115.29 115.95 1kll s HIS 38 Ca 0.05 0.88 0.05 0.00 0.25 0.00 0.00 55.06 56.29 1kll s HIS 38 Cb 0.06 0.08 -0.02 0.00 -1.18 0.00 0.00 32.58 31.52 1kll s HIS 38 CO 0.63 -0.26 -0.15 0.99 -0.65 0.00 0.00 174.74 175.30 1kll s THR 39 N 1.38 1.22 -0.03 0.89 2.01 -0.19 -4.98 115.64 115.94 1kll s THR 39 Ca -0.09 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.07 1kll s THR 39 Cb -0.10 -1.06 -0.00 0.00 0.01 0.00 0.00 72.50 71.34 1kll s THR 39 CO -0.09 0.16 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.23 1kll s GLU 40 N -0.83 1.57 0.03 4.92 2.02 -1.26 -0.85 118.70 124.29 1kll s GLU 40 Ca 0.04 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.49 1kll s GLU 40 Cb -0.07 -1.40 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1kll s GLU 40 CO 0.01 0.25 -0.01 0.00 0.02 0.00 0.00 175.26 175.53 1kll s ALA 41 N -0.04 3.26 -0.17 5.21 0.00 0.42 -4.54 121.76 125.90 1kll s ALA 41 Ca -0.01 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 1kll s ALA 41 Cb -0.10 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1kll s ALA 41 CO 0.01 0.66 0.07 0.08 0.00 0.00 0.00 175.76 176.59 1kll s VAL 42 N -1.15 4.89 0.40 0.00 1.01 -1.26 -0.92 120.40 123.36 1kll s VAL 42 Ca 0.21 -0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.27 1kll s VAL 42 Cb -0.12 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1kll s VAL 42 CO 0.13 0.49 0.25 -0.76 0.00 0.00 0.00 175.10 175.21 1kll s LEU 43 N 0.13 3.27 0.34 3.92 1.02 0.30 -4.92 118.68 122.74 1kll s LEU 43 Ca 0.05 -0.88 -0.27 0.00 0.02 0.00 0.00 54.13 53.06 1kll s LEU 43 Cb -0.12 -1.75 -0.13 0.00 0.02 0.00 0.00 46.19 44.21 1kll s LEU 43 CO 0.00 -0.54 1.09 0.47 0.02 0.00 0.00 176.35 177.40 1kll n ASP 44 N -1.35 1.74 0.00 2.29 10.43 -1.26 -1.21 116.55 127.18 1kll n ASP 44 Ca 0.00 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.51 1kll n ASP 44 Cb 0.63 -1.37 0.00 0.00 1.84 0.00 0.00 41.12 42.22 1kll n ASP 44 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kll n GLY 45 N 1.07 2.47 1.52 0.44 0.00 -1.26 -3.98 105.19 105.45 1kll n GLY 45 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1kll n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kll n GLY 46 N -2.00 0.76 3.71 -0.02 0.00 -0.35 -5.05 105.19 102.24 1kll n GLY 46 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1kll n GLY 46 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kll n ILE 47 N -2.12 1.87 -4.16 -0.61 5.41 -1.26 -4.73 119.36 113.76 1kll n ILE 47 Ca 0.00 -0.47 -0.34 0.00 1.00 0.00 0.00 62.75 62.94 1kll n ILE 47 Cb 0.00 -1.63 -0.08 0.00 -0.71 0.00 0.00 39.64 37.22 1kll n ILE 47 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1kll s ARG 48 N -1.73 3.10 -0.22 0.38 1.81 -0.75 -0.54 118.95 121.00 1kll s ARG 48 Ca 0.56 -0.39 -0.06 0.00 -1.72 0.00 0.00 55.73 54.12 1kll s ARG 48 Cb -0.56 -2.89 -0.03 0.00 -0.45 0.00 0.00 34.95 31.02 1kll s ARG 48 CO 0.61 0.69 0.04 -1.17 -0.68 0.00 0.00 175.30 174.79 1kll s LEU 49 N -1.30 3.40 0.14 2.53 2.96 -0.10 -0.85 118.68 125.46 1kll s LEU 49 Ca 0.18 -0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.00 1kll s LEU 49 Cb -0.12 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1kll s LEU 49 CO 0.08 0.03 -0.19 0.00 -1.32 0.00 0.00 176.35 174.96 1kll s ALA 50 N 1.19 1.86 -0.02 5.97 0.00 0.59 -0.43 121.76 130.92 1kll s ALA 50 Ca 0.04 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.67 1kll s ALA 50 Cb -0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1kll s ALA 50 CO 0.02 0.27 -0.15 -1.58 0.00 0.00 0.00 175.76 174.32 1kll s TRP 51 N -1.71 1.34 -0.03 0.00 0.51 -0.03 -0.55 118.94 118.47 1kll s TRP 51 Ca 0.11 -0.28 0.05 0.00 -2.12 0.00 0.00 56.10 53.86 1kll s TRP 51 Cb -0.07 -0.88 -0.01 0.00 -0.81 0.00 0.00 33.47 31.70 1kll s TRP 51 CO 0.05 -0.05 -0.18 -0.51 -0.51 0.00 0.00 176.95 175.75 1kll s ASP 52 N -0.24 2.21 0.69 2.95 1.01 -0.12 -1.02 116.67 122.15 1kll s ASP 52 Ca 0.04 -0.35 -0.13 0.00 0.71 0.00 0.00 52.55 52.81 1kll s ASP 52 Cb -0.07 -0.43 0.01 0.00 1.01 0.00 0.00 42.92 43.45 1kll s ASP 52 CO -0.00 0.20 1.10 0.42 0.21 0.00 0.00 175.17 177.09 1kll s THR 53 N -0.21 3.37 0.34 -1.27 -4.23 -0.61 -0.39 115.64 112.63 1kll s THR 53 Ca 0.02 0.56 0.09 0.00 -1.18 0.00 0.00 61.69 61.18 1kll s THR 53 Cb -0.09 -3.09 0.33 0.00 1.34 0.00 0.00 72.50 70.98 1kll s THR 53 CO 0.01 -0.46 1.82 0.58 -0.54 0.00 0.00 174.62 176.02 1kll h VAL 54 N -0.33 0.73 -0.70 2.29 2.07 -1.74 -0.69 116.25 117.88 1kll h VAL 54 Ca -0.46 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1kll h VAL 54 Cb 1.24 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1kll h VAL 54 CO 0.54 0.12 0.35 -0.33 0.02 0.00 0.00 177.57 178.27 1kll h GLU 55 N 0.67 1.00 0.31 1.57 3.07 -1.91 -1.27 114.58 118.03 1kll h GLU 55 Ca 0.53 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1kll h GLU 55 Cb 0.93 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1kll h GLU 55 CO -0.29 0.78 -0.15 1.15 -1.40 0.00 0.00 179.01 179.11 1kll h THR 56 N 0.97 0.73 -0.49 1.13 2.02 -1.74 -2.64 112.91 112.89 1kll h THR 56 Ca 0.24 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1kll h THR 56 Cb 0.10 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1kll h THR 56 CO -0.03 0.07 0.30 0.58 0.37 0.00 0.00 175.52 176.81 1kll h VAL 57 N -0.59 1.15 0.00 3.16 2.07 -0.87 -2.43 116.25 118.74 1kll h VAL 57 Ca -0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1kll h VAL 57 Cb 0.43 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1kll h VAL 57 CO 0.07 0.15 0.00 0.54 0.02 0.00 0.00 177.57 178.35 1kll n ARG 58 N -4.70 0.16 0.18 1.57 1.74 -0.50 -0.28 116.66 114.83 1kll n ARG 58 Ca 0.02 0.42 0.03 0.00 -0.77 0.00 0.00 57.85 57.55 1kll n ARG 58 Cb 0.05 -1.81 0.35 0.00 -1.02 0.00 0.00 32.46 30.03 1kll n ARG 58 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1kll h SER 59 N 0.00 0.00 0.00 0.55 4.64 -1.06 -3.09 113.55 114.59 1kll h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kll h SER 59 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1kll h SER 59 CO 0.00 0.39 -0.56 0.00 -0.87 0.00 0.00 176.83 175.79 1kll n TYR 60 N -3.98 0.00 -3.19 4.77 0.18 -0.97 -4.83 117.16 109.14 1kll n TYR 60 Ca -0.02 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.53 1kll n TYR 60 Cb 0.43 -0.01 -0.05 0.00 -0.38 0.00 0.00 39.34 39.33 1kll n TYR 60 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1kll n ASP 61 N -1.29 1.75 0.32 9.48 2.03 0.62 -4.94 116.55 124.52 1kll n ASP 61 Ca -0.00 -3.10 0.21 0.00 0.52 0.00 0.00 54.79 52.42 1kll n ASP 61 Cb 0.02 -0.63 1.07 0.00 -0.72 0.00 0.00 41.12 40.87 1kll n ASP 61 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1kll h PRO 62 N 3.53 0.00 0.00 -0.67 0.13 -1.72 -0.41 132.00 132.86 1kll h PRO 62 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1kll h PRO 62 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1kll h PRO 62 CO 0.60 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 1kll n GLU 63 N -3.20 0.14 -1.69 0.86 1.02 -1.26 -4.82 120.64 111.69 1kll n GLU 63 Ca -0.02 0.41 -0.44 0.00 -0.02 0.00 0.00 57.16 57.09 1kll n GLU 63 Cb 0.12 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 1kll n GLU 63 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1kll n TRP 64 N -2.05 2.34 -3.99 -0.32 -0.00 -0.16 -5.01 117.44 108.24 1kll n TRP 64 Ca 0.02 0.41 -0.09 0.00 -0.00 0.00 0.00 57.50 57.84 1kll n TRP 64 Cb 0.18 -2.49 -0.11 0.00 -0.00 0.00 0.00 31.31 28.90 1kll n TRP 64 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 177.69 178.83 1kll s GLN 65 N -0.61 0.37 0.75 5.87 -2.07 -1.26 -5.00 119.66 117.71 1kll s GLN 65 Ca 0.66 -0.71 -0.14 0.00 -1.82 0.00 0.00 55.36 53.35 1kll s GLN 65 Cb -0.60 0.13 0.05 0.00 -1.09 0.00 0.00 33.01 31.50 1kll s GLN 65 CO 0.51 -0.07 1.16 0.00 -1.32 0.00 0.00 175.29 175.57 1kll s ALA 66 N -1.91 2.12 0.83 2.60 0.00 -1.26 -5.01 121.76 119.13 1kll s ALA 66 Ca -0.12 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1kll s ALA 66 Cb -0.07 -3.40 0.13 0.00 0.00 0.00 0.00 23.12 19.78 1kll s ALA 66 CO -0.03 -1.86 1.17 -1.25 0.00 0.00 0.00 175.76 173.80 1kll s PRO 67 N -4.21 1.43 0.01 0.00 0.04 -1.26 -5.09 135.00 125.92 1kll s PRO 67 Ca 0.69 -0.37 0.03 0.00 0.04 0.00 0.00 61.00 61.40 1kll s PRO 67 Cb -0.24 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1kll s PRO 67 CO 0.48 -1.83 -0.10 0.99 0.04 0.00 0.00 177.00 176.58 1kll s THR 68 N -3.57 0.79 0.00 1.26 2.01 -1.26 -5.07 115.64 109.81 1kll s THR 68 Ca 0.67 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1kll s THR 68 Cb -0.07 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1kll s THR 68 CO 0.49 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 1kll n GLY 69 N 2.38 0.20 3.84 4.40 0.00 -1.26 -5.00 105.19 109.75 1kll n GLY 69 Ca -0.16 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1kll n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kll s GLY 70 N 0.00 1.59 0.24 -0.02 0.00 -1.26 -5.00 107.32 102.86 1kll s GLY 70 Ca 0.00 -0.53 -0.24 0.00 0.00 0.00 0.00 44.72 43.94 1kll s GLY 70 CO 0.00 -0.02 0.83 -2.38 0.00 0.00 0.00 173.10 171.52 1kll s HIS 71 N -3.38 3.78 -0.18 1.90 -3.43 -1.26 -4.94 115.29 107.77 1kll s HIS 71 Ca 0.63 1.64 0.22 0.00 -0.80 0.00 0.00 55.06 56.74 1kll s HIS 71 Cb -0.13 -2.79 -0.08 0.00 -1.43 0.00 0.00 32.58 28.14 1kll s HIS 71 CO 0.52 0.37 0.90 0.54 -2.00 0.00 0.00 174.74 175.07 1kll n ARG 72 N 1.03 0.62 -4.27 -0.38 1.74 -1.26 -4.98 116.66 109.16 1kll n ARG 72 Ca -0.02 0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.96 1kll n ARG 72 Cb 0.50 -1.76 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 1kll n ARG 72 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1kll s PHE 73 N -3.37 1.36 0.02 -1.55 -0.71 -1.26 -5.15 117.98 107.32 1kll s PHE 73 Ca -0.02 -0.71 -0.04 0.00 -1.04 0.00 0.00 56.93 55.12 1kll s PHE 73 Cb 0.10 -0.68 -0.01 0.00 -1.21 0.00 0.00 43.02 41.23 1kll s PHE 73 CO 0.82 0.14 0.06 0.00 -1.34 0.00 0.00 175.22 174.90 1kll s ALA 74 N -3.19 -0.09 -0.18 1.99 0.00 -1.26 -4.16 121.76 114.85 1kll s ALA 74 Ca 0.17 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 1kll s ALA 74 Cb 0.01 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1kll s ALA 74 CO 0.02 -0.20 -0.01 0.42 0.00 0.00 0.00 175.76 175.98 1kll s ILE 75 N -1.61 3.94 -0.21 0.00 1.01 -0.75 -4.98 121.20 118.59 1kll s ILE 75 Ca -0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1kll s ILE 75 Cb -0.08 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1kll s ILE 75 CO -0.00 0.45 -0.03 0.00 0.00 0.00 0.00 174.94 175.36 1kll s ALA 76 N 0.77 2.89 -0.19 9.38 0.00 -1.26 -0.83 121.76 132.52 1kll s ALA 76 Ca -0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 1kll s ALA 76 Cb -0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1kll s ALA 76 CO 0.02 -0.31 0.09 -0.06 0.00 0.00 0.00 175.76 175.50 1kll s PHE 77 N 1.29 3.32 -0.11 0.00 0.40 -0.11 -4.97 117.98 117.80 1kll s PHE 77 Ca 0.04 0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.39 1kll s PHE 77 Cb -0.14 -2.12 -0.05 0.00 0.51 0.00 0.00 43.02 41.22 1kll s PHE 77 CO -0.01 0.20 0.36 -2.00 0.70 0.00 0.00 175.22 174.47 1kll s GLU 78 N 0.41 4.16 0.17 0.44 2.12 -1.26 -1.51 118.70 123.23 1kll s GLU 78 Ca 0.05 0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.70 1kll s GLU 78 Cb -0.12 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1kll s GLU 78 CO -0.00 0.35 0.08 -0.06 -0.54 0.00 0.00 175.26 175.09 1kll s PHE 79 N 0.06 3.02 -0.97 5.30 0.40 0.31 -4.95 117.98 121.15 1kll s PHE 79 Ca 0.21 -0.07 0.21 0.00 -0.60 0.00 0.00 56.93 56.68 1kll s PHE 79 Cb -0.14 -1.45 0.90 0.00 0.51 0.00 0.00 43.02 42.84 1kll s PHE 79 CO 0.08 0.52 1.68 -0.35 0.70 0.00 0.00 175.22 177.85 1kll n PRO 80 N -0.32 0.02 -3.63 0.24 -0.04 -1.26 -4.56 135.00 125.45 1kll n PRO 80 Ca -0.09 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.44 1kll n PRO 80 Cb 0.55 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1kll n PRO 80 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1kll s ASP 81 N -3.10 -0.36 0.21 3.54 1.47 -1.26 -5.01 116.67 112.16 1kll s ASP 81 Ca 0.10 -0.26 -0.01 0.00 1.18 0.00 0.00 52.55 53.56 1kll s ASP 81 Cb 0.14 0.57 0.19 0.00 -0.34 0.00 0.00 42.92 43.48 1kll s ASP 81 CO 0.39 -1.00 1.55 0.71 0.68 0.00 0.00 175.17 177.51 1kll h THR 82 N 2.00 1.33 0.00 2.11 1.35 -1.88 -2.71 112.91 115.10 1kll h THR 82 Ca -0.25 -1.75 -0.01 0.00 -0.55 0.00 0.00 66.41 63.84 1kll h THR 82 Cb 1.26 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1kll h THR 82 CO 0.30 0.54 -0.07 0.00 -0.25 0.00 0.00 175.52 176.04 1kll h ALA 83 N 1.07 1.85 0.00 6.62 0.00 -1.98 -1.85 119.26 124.98 1kll h ALA 83 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1kll h ALA 83 Cb 1.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1kll h ALA 83 CO 0.09 0.09 -0.16 0.77 0.00 0.00 0.00 179.25 180.04 1kll h SER 84 N 0.00 0.00 0.23 0.00 0.02 -1.90 -1.73 113.55 110.18 1kll h SER 84 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1kll h SER 84 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1kll h SER 84 CO 0.01 0.16 -0.11 0.58 -1.14 0.00 0.00 176.83 176.32 1kll h VAL 85 N 0.00 0.84 -0.82 2.27 2.07 -1.41 -0.29 116.25 118.91 1kll h VAL 85 Ca -0.00 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1kll h VAL 85 Cb 0.36 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1kll h VAL 85 CO 0.02 0.11 0.52 0.44 0.02 0.00 0.00 177.57 178.68 1kll h ASP 86 N -0.57 0.86 -0.13 0.57 5.19 -1.45 0.73 116.42 121.62 1kll h ASP 86 Ca -0.03 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 1kll h ASP 86 Cb 0.42 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 1kll h ASP 86 CO 0.05 0.59 -0.08 0.50 -3.12 0.00 0.00 179.24 177.19 1kll h LYS 87 N 1.01 0.29 -0.69 3.56 3.64 -1.28 -2.03 116.57 121.07 1kll h LYS 87 Ca 0.33 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1kll h LYS 87 Cb 0.01 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1kll h LYS 87 CO -0.11 0.64 0.20 -0.22 -2.27 0.00 0.00 179.45 177.68 1kll h LYS 88 N -0.06 1.08 -0.58 1.90 1.63 -0.81 0.06 116.57 119.79 1kll h LYS 88 Ca 0.03 -0.23 0.11 0.00 -0.85 0.00 0.00 60.65 59.70 1kll h LYS 88 Cb 0.56 -0.16 -0.08 0.00 -0.60 0.00 0.00 32.23 31.95 1kll h LYS 88 CO 0.02 0.93 0.12 -0.92 -3.45 0.00 0.00 179.45 176.15 1kll h TYR 89 N 1.04 0.19 -0.37 1.91 5.03 -0.75 0.09 116.97 124.10 1kll h TYR 89 Ca 0.22 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.54 1kll h TYR 89 Cb 0.31 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 1kll h TYR 89 CO 0.02 -0.03 0.11 0.00 -1.32 0.00 0.00 178.16 176.95 1kll h ALA 90 N 1.46 0.49 -0.93 1.82 0.00 -0.64 -1.25 119.26 120.20 1kll h ALA 90 Ca 0.30 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1kll h ALA 90 Cb 0.43 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1kll h ALA 90 CO -0.39 0.13 0.61 0.93 0.00 0.00 0.00 179.25 180.53 1kll h GLU 91 N 0.45 1.08 -0.24 0.00 5.08 -0.40 -0.91 114.58 119.64 1kll h GLU 91 Ca 0.12 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 1kll h GLU 91 Cb 0.26 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1kll h GLU 91 CO -0.00 0.71 -0.61 -0.07 -1.00 0.00 0.00 179.01 178.04 1kll h LEU 92 N 1.11 0.95 -0.94 1.33 3.38 -0.53 -2.31 115.31 118.30 1kll h LEU 92 Ca 0.39 -0.56 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1kll h LEU 92 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1kll h LEU 92 CO -0.14 1.34 0.23 0.58 0.09 0.00 0.00 178.44 180.55 1kll h VAL 93 N 0.60 1.24 -0.92 1.22 2.07 -0.96 -1.94 116.25 117.56 1kll h VAL 93 Ca -0.01 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1kll h VAL 93 Cb 1.22 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1kll h VAL 93 CO 0.13 0.31 0.59 0.44 0.02 0.00 0.00 177.57 179.07 1kll h ASP 94 N 0.97 0.98 0.51 0.57 3.32 -1.03 -0.10 116.42 121.64 1kll h ASP 94 Ca 0.22 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1kll h ASP 94 Cb 0.24 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1kll h ASP 94 CO -0.01 0.66 0.00 0.00 -1.72 0.00 0.00 179.24 178.17 1kll n ALA 95 N -2.36 1.89 0.00 3.45 0.00 -0.88 -4.85 120.51 117.76 1kll n ALA 95 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1kll n ALA 95 Cb 0.11 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1kll n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kll n GLY 96 N 0.33 0.88 3.83 0.00 0.00 -0.05 -5.09 105.19 105.08 1kll n GLY 96 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1kll n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kll s TYR 97 N -2.00 3.37 -0.18 1.61 2.02 -0.78 -4.99 117.35 116.40 1kll s TYR 97 Ca 0.00 1.50 -0.29 0.00 -0.37 0.00 0.00 57.07 57.90 1kll s TYR 97 Cb 0.00 -2.78 -0.01 0.00 -0.40 0.00 0.00 41.96 38.78 1kll s TYR 97 CO 0.00 -0.17 1.17 -2.00 -1.57 0.00 0.00 175.55 172.98 1kll s GLU 98 N -3.47 4.25 -0.12 -0.62 2.12 -1.25 -4.21 118.70 115.40 1kll s GLU 98 Ca 0.60 1.54 -0.22 0.00 0.36 0.00 0.00 54.97 57.24 1kll s GLU 98 Cb -0.09 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 1kll s GLU 98 CO 0.20 -0.66 0.67 0.20 -0.54 0.00 0.00 175.26 175.14 1kll s GLY 99 N 1.63 2.36 -0.26 -1.50 0.00 -1.26 -0.87 107.32 107.42 1kll s GLY 99 Ca 0.50 -0.03 -0.15 0.00 0.00 0.00 0.00 44.72 45.04 1kll s GLY 99 CO 0.12 1.24 -0.27 1.57 0.00 0.00 0.00 173.10 175.76 1kll n HIS 100 N 4.35 0.18 -3.77 1.90 -0.00 0.21 -4.91 115.22 113.17 1kll n HIS 100 Ca -0.01 0.08 -0.25 0.00 0.46 0.00 0.00 57.72 58.00 1kll n HIS 100 Cb 0.51 -0.98 -0.17 0.00 -0.12 0.00 0.00 29.99 29.23 1kll n HIS 100 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1kll s LEU 101 N -7.61 0.83 0.71 0.27 1.43 -0.64 -4.98 118.68 108.69 1kll s LEU 101 Ca -0.36 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1kll s LEU 101 Cb 0.13 -0.53 0.03 0.00 0.03 0.00 0.00 46.19 45.85 1kll s LEU 101 CO 0.50 -0.22 1.16 -1.59 0.23 0.00 0.00 176.35 176.42 1kll s LYS 102 N 1.91 2.34 0.29 1.70 -2.85 -1.26 -1.51 119.74 120.37 1kll s LYS 102 Ca 0.03 1.57 -0.28 0.00 -1.00 0.00 0.00 55.97 56.29 1kll s LYS 102 Cb -0.14 -1.88 -0.14 0.00 -2.06 0.00 0.00 37.83 33.62 1kll s LYS 102 CO -0.06 -1.64 1.08 -2.30 0.10 0.00 0.00 175.35 172.53 1kll n PRO 103 N -2.73 1.51 -3.86 1.78 -0.02 -1.26 -4.78 135.00 125.65 1kll n PRO 103 Ca 0.12 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 1kll n PRO 103 Cb 0.51 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.97 1kll n PRO 103 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1kll s TRP 104 N -1.01 0.17 -0.52 6.00 -2.14 -0.26 -4.97 118.94 116.22 1kll s TRP 104 Ca 0.59 -0.57 -0.23 0.00 2.66 0.00 0.00 56.10 58.54 1kll s TRP 104 Cb -0.68 -0.02 0.04 0.00 -3.10 0.00 0.00 33.47 29.71 1kll s TRP 104 CO 0.60 -0.61 0.87 -0.80 -2.66 0.00 0.00 176.95 174.35 1kll s ASN 105 N -2.88 6.35 0.51 -2.66 -0.87 -1.26 -0.98 114.94 113.14 1kll s ASN 105 Ca 0.08 -0.36 -0.18 0.00 -1.57 0.00 0.00 52.86 50.83 1kll s ASN 105 Cb 0.04 -2.41 -0.07 0.00 -0.02 0.00 0.00 41.25 38.79 1kll s ASN 105 CO -0.08 -1.12 1.02 0.00 -2.57 0.00 0.00 177.10 174.35 1kll s ALA 106 N 3.65 2.90 0.56 0.60 0.00 0.75 -4.93 121.76 125.28 1kll s ALA 106 Ca 0.29 0.44 0.31 0.00 0.00 0.00 0.00 51.96 52.99 1kll s ALA 106 Cb -0.13 -3.21 1.81 0.00 0.00 0.00 0.00 23.12 21.59 1kll s ALA 106 CO 0.19 -0.36 2.23 0.28 0.00 0.00 0.00 175.76 178.10 1kll h VAL 107 N 1.19 0.48 -0.19 0.00 2.07 -1.96 -0.07 116.25 117.78 1kll h VAL 107 Ca -0.48 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1kll h VAL 107 Cb 1.21 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1kll h VAL 107 CO 0.59 0.02 0.00 -2.67 0.02 0.00 0.00 177.57 175.54 1kll n TRP 108 N -3.73 0.25 -0.12 1.57 2.14 -1.26 -4.91 117.44 111.37 1kll n TRP 108 Ca -0.03 -0.12 0.00 0.00 2.07 0.00 0.00 57.50 59.42 1kll n TRP 108 Cb 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.61 1kll n TRP 108 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1kll n GLY 109 N 1.03 1.42 3.10 -1.67 0.00 -0.04 -5.06 105.19 103.97 1kll n GLY 109 Ca 0.14 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 1kll n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kll s GLN 110 N -0.72 0.72 0.01 1.61 -0.21 -1.24 -1.74 119.66 118.09 1kll s GLN 110 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.36 54.34 1kll s GLN 110 Cb 0.00 -0.65 -0.05 0.00 1.00 0.00 0.00 33.01 33.32 1kll s GLN 110 CO 0.00 0.15 1.23 0.50 -2.12 0.00 0.00 175.29 175.05 1kll s ARG 111 N -1.30 4.38 0.06 2.91 6.06 -0.04 -0.18 118.95 130.84 1kll s ARG 111 Ca -0.03 1.77 0.03 0.00 -2.50 0.00 0.00 55.73 55.00 1kll s ARG 111 Cb -0.08 -3.46 -0.03 0.00 0.06 0.00 0.00 34.95 31.43 1kll s ARG 111 CO 0.01 -0.38 -0.09 -0.47 -2.50 0.00 0.00 175.30 171.86 1kll s TYR 112 N 1.73 0.84 0.07 5.12 6.14 -0.15 -1.60 117.35 129.50 1kll s TYR 112 Ca 0.58 -0.52 -0.24 0.00 0.64 0.00 0.00 57.07 57.53 1kll s TYR 112 Cb -0.28 -0.49 0.06 0.00 0.42 0.00 0.00 41.96 41.67 1kll s TYR 112 CO 0.26 -0.05 0.58 0.00 0.64 0.00 0.00 175.55 176.98 1kll s ALA 113 N -1.56 -1.52 -0.07 3.97 0.00 0.01 -1.10 121.76 121.49 1kll s ALA 113 Ca -0.06 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1kll s ALA 113 Cb -0.09 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.55 1kll s ALA 113 CO 0.01 -0.58 -0.06 0.42 0.00 0.00 0.00 175.76 175.55 1kll s ILE 114 N -2.71 0.73 0.39 0.00 1.01 -0.57 -0.28 121.20 119.78 1kll s ILE 114 Ca -0.04 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.51 1kll s ILE 114 Cb -0.01 -0.76 -0.07 0.00 0.01 0.00 0.00 42.46 41.64 1kll s ILE 114 CO -0.04 0.29 0.02 0.68 0.00 0.00 0.00 174.94 175.89 1kll s VAL 115 N 1.25 2.19 -0.01 2.92 -7.23 0.20 -0.62 120.40 119.12 1kll s VAL 115 Ca -0.05 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1kll s VAL 115 Cb -0.14 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 1kll s VAL 115 CO -0.02 -0.07 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.07 1kll s LYS 116 N -3.73 2.50 1.07 4.82 1.02 -0.05 -0.39 119.74 124.99 1kll s LYS 116 Ca 0.36 -0.73 -0.18 0.00 0.02 0.00 0.00 55.97 55.44 1kll s LYS 116 Cb 0.06 -2.45 0.24 0.00 -0.52 0.00 0.00 37.83 35.16 1kll s LYS 116 CO 0.19 0.61 1.24 0.16 -0.92 0.00 0.00 175.35 176.62 1kll s ASP 117 N -1.24 2.14 0.57 2.83 -4.77 0.39 -3.89 116.67 112.70 1kll s ASP 117 Ca 0.15 0.39 0.25 0.00 -3.30 0.00 0.00 52.55 50.04 1kll s ASP 117 Cb -0.11 -0.48 1.59 0.00 -1.09 0.00 0.00 42.92 42.83 1kll s ASP 117 CO 0.05 -3.35 2.16 -0.65 0.70 0.00 0.00 175.17 174.09 1kll h PRO 118 N -2.06 0.00 -0.01 2.11 0.11 -1.90 -1.17 132.00 129.09 1kll h PRO 118 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1kll h PRO 118 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1kll h PRO 118 CO 0.35 0.00 -0.15 -0.25 -0.21 0.00 0.00 178.00 177.74 1kll n ASP 119 N -4.07 1.25 0.00 -2.05 8.00 -1.26 -4.93 116.55 113.49 1kll n ASP 119 Ca -0.01 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1kll n ASP 119 Cb 0.20 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1kll n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kll n GLY 120 N 1.27 0.80 3.77 0.44 0.00 -0.44 -5.06 105.19 105.97 1kll n GLY 120 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1kll n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kll s ASN 121 N -2.29 6.22 -0.17 1.61 0.01 -1.26 -4.69 114.94 114.37 1kll s ASN 121 Ca 0.00 2.26 -0.22 0.00 -0.71 0.00 0.00 52.86 54.19 1kll s ASN 121 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 1kll s ASN 121 CO 0.00 -0.88 0.69 -0.69 -1.51 0.00 0.00 177.10 174.70 1kll s VAL 122 N -1.58 5.00 -0.17 1.60 1.01 -1.26 -0.46 120.40 124.54 1kll s VAL 122 Ca 0.63 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.95 1kll s VAL 122 Cb -0.27 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1kll s VAL 122 CO 0.33 0.12 -0.18 -0.69 0.00 0.00 0.00 175.10 174.69 1kll s VAL 123 N 1.74 1.88 0.01 2.92 1.01 0.48 -1.81 120.40 126.63 1kll s VAL 123 Ca 0.32 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1kll s VAL 123 Cb -0.16 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1kll s VAL 123 CO 0.12 0.49 0.38 -1.81 0.00 0.00 0.00 175.10 174.29 1kll s ASP 124 N 1.36 6.73 -0.11 3.32 1.01 -0.01 -0.63 116.67 128.34 1kll s ASP 124 Ca 0.05 0.88 0.03 0.00 0.71 0.00 0.00 52.55 54.21 1kll s ASP 124 Cb -0.13 -2.22 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 1kll s ASP 124 CO -0.12 0.29 -0.21 -0.76 0.21 0.00 0.00 175.17 174.58 1kll s LEU 125 N -1.29 2.25 0.14 1.23 1.43 0.62 -0.93 118.68 122.12 1kll s LEU 125 Ca 0.25 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.69 1kll s LEU 125 Cb -0.16 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.63 1kll s LEU 125 CO 0.14 0.16 0.41 0.72 0.23 0.00 0.00 176.35 178.01 1kll s PHE 126 N 0.38 -0.16 -0.08 0.29 -0.71 -0.57 -0.81 117.98 116.31 1kll s PHE 126 Ca -0.16 -0.16 -0.16 0.00 -1.04 0.00 0.00 56.93 55.41 1kll s PHE 126 Cb -0.17 0.26 0.03 0.00 -1.21 0.00 0.00 43.02 41.93 1kll s PHE 126 CO 0.07 -0.73 0.39 0.00 -1.34 0.00 0.00 175.22 173.61 1kll s ALA 127 N -3.82 -0.97 0.47 1.99 0.00 -0.63 -0.53 121.76 118.28 1kll s ALA 127 Ca 0.04 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.54 1kll s ALA 127 Cb 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 1kll s ALA 127 CO -0.10 -0.24 1.28 -1.25 0.00 0.00 0.00 175.76 175.45 1kll s PRO 128 N -0.65 3.60 0.37 0.00 0.04 -1.26 -0.86 135.00 136.24 1kll s PRO 128 Ca -0.07 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 1kll s PRO 128 Cb -0.04 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 1kll s PRO 128 CO 0.03 -0.76 1.07 -0.51 0.04 0.00 0.00 177.00 176.87 1kll s LEU 129 N -3.02 4.23 0.00 -3.56 1.02 -0.71 -4.58 118.68 112.06 1kll s LEU 129 Ca 0.64 2.11 0.00 0.00 0.02 0.00 0.00 54.13 56.90 1kll s LEU 129 Cb -0.36 -4.05 0.00 0.00 0.02 0.00 0.00 46.19 41.80 1kll s LEU 129 CO 0.44 -0.43 0.24 -0.81 0.02 0.00 0.00 176.35 175.81