#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kll n SER 1 N 0.00 -7.52 0.00 1.61 7.64 -1.26 -4.97 113.62 109.12 2kll n SER 1 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2kll n SER 1 Cb 0.00 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.41 2kll n SER 1 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kll n SER 2 N -0.61 0.50 0.00 6.43 7.64 -1.26 -4.89 113.62 121.43 2kll n SER 2 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2kll n SER 2 Cb 0.50 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2kll n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kll n ILE 3 N -0.37 0.00 -1.73 0.44 0.13 -1.26 -4.94 119.36 111.62 2kll n ILE 3 Ca 0.00 0.00 -0.37 0.00 -1.10 0.00 0.00 62.75 61.28 2kll n ILE 3 Cb 0.02 -0.30 0.07 0.00 -0.84 0.00 0.00 39.64 38.59 2kll n ILE 3 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2kll s THR 4 N -1.87 2.06 0.00 9.51 -4.23 -1.26 -4.08 115.64 115.76 2kll s THR 4 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 2kll s THR 4 Cb 0.00 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2kll s THR 4 CO 0.00 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 2kll n GLY 5 N 0.87 1.31 3.88 3.99 0.00 -1.26 -5.05 105.19 108.94 2kll n GLY 5 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2kll n GLY 5 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kll s ILE 6 N -2.00 3.39 0.04 -0.61 -4.36 -1.26 -5.07 121.20 111.33 2kll s ILE 6 Ca 0.00 -1.30 0.03 0.00 -0.26 0.00 0.00 60.65 59.12 2kll s ILE 6 Cb 0.00 -3.16 -0.02 0.00 1.25 0.00 0.00 42.46 40.52 2kll s ILE 6 CO 0.00 -0.13 -0.09 -0.44 0.24 0.00 0.00 174.94 174.53 2kll s SER 7 N -4.06 0.98 0.09 4.36 0.01 -1.26 -5.09 113.70 108.72 2kll s SER 7 Ca 0.44 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 2kll s SER 7 Cb -0.06 0.00 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 2kll s SER 7 CO 0.28 -0.13 1.16 -2.16 0.41 0.00 0.00 173.24 172.80 2kll s PRO 8 N -1.36 4.48 -0.09 12.44 0.04 -1.26 -3.82 135.00 145.43 2kll s PRO 8 Ca -0.06 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 2kll s PRO 8 Cb -0.09 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.12 2kll s PRO 8 CO 0.01 -0.16 -0.01 0.82 0.04 0.00 0.00 177.00 177.69 2kll h ILE 9 N 4.31 0.00 -3.67 0.56 2.04 -1.64 -3.49 117.51 115.62 2kll h ILE 9 Ca -0.42 -0.89 -0.14 0.00 1.00 0.00 0.00 64.86 64.41 2kll h ILE 9 Cb 1.21 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 37.10 2kll h ILE 9 CO 0.78 0.00 -0.52 0.28 0.00 0.00 0.00 178.15 178.69 2kll s THR 10 N -1.52 0.11 -0.05 -0.27 -1.32 -1.26 -4.99 115.64 106.33 2kll s THR 10 Ca -0.01 -0.88 -0.01 0.00 -1.21 0.00 0.00 61.69 59.59 2kll s THR 10 Cb 0.00 -0.61 0.03 0.00 -1.51 0.00 0.00 72.50 70.41 2kll s THR 10 CO 0.01 -0.48 0.00 -1.61 -2.21 0.00 0.00 174.62 170.33 2kll s GLU 11 N -1.90 0.45 -0.04 7.08 2.02 -1.26 -1.33 118.70 123.72 2kll s GLU 11 Ca -0.11 0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.69 2kll s GLU 11 Cb -0.05 -0.74 0.08 0.00 0.10 0.00 0.00 34.13 33.51 2kll s GLU 11 CO -0.01 -0.23 0.70 1.52 0.02 0.00 0.00 175.26 177.26 2kll s TYR 12 N 1.57 -0.62 0.35 1.61 1.13 -0.55 -5.01 117.35 115.83 2kll s TYR 12 Ca -0.02 1.00 -0.21 0.00 -1.41 0.00 0.00 57.07 56.42 2kll s TYR 12 Cb -0.13 0.43 -0.10 0.00 -1.10 0.00 0.00 41.96 41.06 2kll s TYR 12 CO -0.03 -0.61 0.88 -0.51 -2.51 0.00 0.00 175.55 172.77 2kll s LEU 13 N -1.35 4.15 -0.26 -3.49 1.02 -1.26 -1.08 118.68 116.41 2kll s LEU 13 Ca -0.09 1.63 -0.25 0.00 0.02 0.00 0.00 54.13 55.44 2kll s LEU 13 Cb -0.00 -4.15 0.08 0.00 0.02 0.00 0.00 46.19 42.13 2kll s LEU 13 CO 0.07 -0.18 0.76 0.00 0.02 0.00 0.00 176.35 177.01 2kll s ALA 14 N -1.87 -1.80 -0.18 4.21 0.00 0.15 -4.27 121.76 118.00 2kll s ALA 14 Ca 0.54 1.98 -0.15 0.00 0.00 0.00 0.00 51.96 54.33 2kll s ALA 14 Cb -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2kll s ALA 14 CO 0.18 -0.33 0.36 0.45 0.00 0.00 0.00 175.76 176.43 2kll s SER 15 N 0.29 6.45 0.13 0.00 0.15 -1.25 -0.45 113.70 119.01 2kll s SER 15 Ca -0.00 0.53 -0.30 0.00 0.70 0.00 0.00 55.95 56.88 2kll s SER 15 Cb -0.05 -2.22 -0.06 0.00 -1.71 0.00 0.00 66.02 61.98 2kll s SER 15 CO 0.00 -0.01 1.05 -0.76 1.20 0.00 0.00 173.24 174.72 2kll s LEU 16 N 0.96 4.47 -0.04 3.45 1.43 -1.26 -2.92 118.68 124.78 2kll s LEU 16 Ca 0.19 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 55.21 2kll s LEU 16 Cb -0.14 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.52 2kll s LEU 16 CO 0.07 -0.19 0.07 -0.44 0.23 0.00 0.00 176.35 176.09 2kll s SER 17 N 0.14 0.19 1.04 2.29 0.01 0.75 -1.25 113.70 116.87 2kll s SER 17 Ca 0.50 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.76 2kll s SER 17 Cb -0.26 0.00 0.21 0.00 0.21 0.00 0.00 66.02 66.18 2kll s SER 17 CO 0.32 -0.16 1.07 0.42 0.41 0.00 0.00 173.24 175.30 2kll s THR 18 N 1.30 2.19 -1.89 1.44 -4.23 0.12 0.05 115.64 114.62 2kll s THR 18 Ca -0.07 0.06 0.21 0.00 -1.18 0.00 0.00 61.69 60.72 2kll s THR 18 Cb -0.12 -2.30 0.56 0.00 1.34 0.00 0.00 72.50 71.97 2kll s THR 18 CO -0.04 -0.08 1.65 0.00 -0.54 0.00 0.00 174.62 175.61 2kll n TYR 19 N -4.44 0.00 -1.14 3.99 9.36 -1.23 -2.71 117.16 121.00 2kll n TYR 19 Ca 0.06 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.14 2kll n TYR 19 Cb 0.55 -0.05 0.25 0.00 -0.63 0.00 0.00 39.34 39.46 2kll n TYR 19 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kll n ASN 20 N -1.05 4.33 -1.71 2.98 2.85 -1.26 -4.88 115.26 116.51 2kll n ASN 20 Ca 0.15 -3.40 -0.20 0.00 -0.11 0.00 0.00 54.58 51.02 2kll n ASN 20 Cb 0.09 -0.78 -0.07 0.00 1.24 0.00 0.00 39.78 40.26 2kll n ASN 20 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kll n ASP 21 N -0.59 -5.46 -4.83 1.20 8.00 -1.10 -4.96 116.55 108.81 2kll n ASP 21 Ca 0.48 0.36 -0.31 0.00 0.71 0.00 0.00 54.79 56.04 2kll n ASP 21 Cb 1.50 -4.65 -0.06 0.00 -0.02 0.00 0.00 41.12 37.90 2kll n ASP 21 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kll s GLN 22 N -4.02 3.10 0.12 -1.24 -0.21 -1.25 -4.04 119.66 112.13 2kll s GLN 22 Ca 0.00 -0.59 0.05 0.00 0.02 0.00 0.00 55.36 54.85 2kll s GLN 22 Cb 0.00 -2.85 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 2kll s GLN 22 CO 0.00 0.59 0.03 -1.12 -2.12 0.00 0.00 175.29 172.66 2kll s SER 23 N -2.41 5.09 0.10 5.90 0.01 -0.31 0.14 113.70 122.22 2kll s SER 23 Ca 0.31 -0.20 -0.16 0.00 1.31 0.00 0.00 55.95 57.21 2kll s SER 23 Cb -0.12 -1.22 -0.07 0.00 0.21 0.00 0.00 66.02 64.82 2kll s SER 23 CO 0.24 0.14 0.53 -0.63 0.41 0.00 0.00 173.24 173.93 2kll s ILE 24 N -1.47 4.85 -0.10 1.44 -1.09 -0.38 -0.65 121.20 123.79 2kll s ILE 24 Ca 0.27 0.95 0.01 0.00 -2.23 0.00 0.00 60.65 59.65 2kll s ILE 24 Cb -0.11 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 37.00 2kll s ILE 24 CO 0.19 0.40 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.29 2kll s THR 25 N -1.29 1.25 -0.48 2.92 2.01 0.03 -4.61 115.64 115.48 2kll s THR 25 Ca 0.33 -0.48 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 2kll s THR 25 Cb -0.17 -1.18 0.12 0.00 0.01 0.00 0.00 72.50 71.28 2kll s THR 25 CO 0.18 0.40 0.36 -0.36 -0.69 0.00 0.00 174.62 174.51 2kll s PHE 26 N 1.18 3.40 -0.40 4.92 0.40 -1.26 -2.49 117.98 123.73 2kll s PHE 26 Ca -0.04 -1.78 -0.10 0.00 -0.60 0.00 0.00 56.93 54.41 2kll s PHE 26 Cb -0.14 -3.51 0.06 0.00 0.51 0.00 0.00 43.02 39.94 2kll s PHE 26 CO -0.03 -0.99 0.23 0.00 0.70 0.00 0.00 175.22 175.13 2kll s ALA 27 N 1.39 3.27 -0.26 5.36 0.00 -0.63 -5.05 121.76 125.84 2kll s ALA 27 Ca 0.05 -1.98 -0.08 0.00 0.00 0.00 0.00 51.96 49.95 2kll s ALA 27 Cb -0.26 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2kll s ALA 27 CO -0.00 -1.54 0.10 -0.51 0.00 0.00 0.00 175.76 173.81 2kll s LEU 28 N 1.47 3.65 0.00 0.00 1.02 -1.26 -1.65 118.68 121.90 2kll s LEU 28 Ca 0.02 -0.22 -0.01 0.00 0.02 0.00 0.00 54.13 53.94 2kll s LEU 28 Cb -0.22 -1.97 0.02 0.00 0.02 0.00 0.00 46.19 44.05 2kll s LEU 28 CO 0.04 -0.06 0.15 -0.62 0.02 0.00 0.00 176.35 175.88 2kll n GLU 29 N 4.96 0.13 -0.29 1.70 1.02 -0.83 -4.91 120.64 122.43 2kll n GLU 29 Ca -0.15 -0.30 0.32 0.00 -0.02 0.00 0.00 57.16 57.01 2kll n GLU 29 Cb 0.51 -0.13 0.71 0.00 -0.02 0.00 0.00 31.44 32.51 2kll n GLU 29 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2kll h ASP 30 N -0.16 0.06 0.00 1.62 3.32 -2.07 -3.29 116.42 115.91 2kll h ASP 30 Ca -0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2kll h ASP 30 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2kll h ASP 30 CO 0.04 0.01 0.00 -1.84 -1.72 0.00 0.00 179.24 175.73 2kll n GLU 31 N -4.27 0.00 -3.56 3.56 0.28 -1.26 -5.14 120.64 110.26 2kll n GLU 31 Ca 0.24 -0.01 -0.20 0.00 -0.16 0.00 0.00 57.16 57.04 2kll n GLU 31 Cb 1.12 -0.01 -0.01 0.00 1.43 0.00 0.00 31.44 33.97 2kll n GLU 31 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kll s SER 32 N 0.00 5.76 -0.36 -1.84 0.01 -1.24 -5.10 113.70 110.94 2kll s SER 32 Ca 0.00 -0.28 -0.00 0.00 1.31 0.00 0.00 55.95 56.97 2kll s SER 32 Cb 0.00 -1.14 0.13 0.00 0.21 0.00 0.00 66.02 65.21 2kll s SER 32 CO 0.00 -0.42 0.18 -0.31 0.41 0.00 0.00 173.24 173.11 2kll s TYR 33 N -2.22 1.16 -0.21 2.43 2.02 -1.26 -1.96 117.35 117.31 2kll s TYR 33 Ca 0.44 -1.74 -0.07 0.00 -0.37 0.00 0.00 57.07 55.33 2kll s TYR 33 Cb -0.08 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 2kll s TYR 33 CO 0.30 -0.83 0.06 -1.21 -1.57 0.00 0.00 175.55 172.30 2kll s GLU 34 N 1.14 3.79 -0.14 -0.62 2.02 -0.66 -5.02 118.70 119.21 2kll s GLU 34 Ca 0.15 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.72 2kll s GLU 34 Cb -0.21 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 30.80 2kll s GLU 34 CO -0.10 0.05 -0.15 0.42 0.02 0.00 0.00 175.26 175.50 2kll s ILE 35 N 0.97 1.60 0.04 -1.63 1.01 -1.26 -1.61 121.20 120.32 2kll s ILE 35 Ca 0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 2kll s ILE 35 Cb -0.14 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 2kll s ILE 35 CO 0.03 0.46 0.06 -0.72 0.00 0.00 0.00 174.94 174.77 2kll s TYR 36 N 1.31 0.26 -0.28 3.97 -0.85 -1.04 -4.54 117.35 116.19 2kll s TYR 36 Ca 0.01 -0.60 -0.08 0.00 -0.52 0.00 0.00 57.07 55.88 2kll s TYR 36 Cb -0.13 -0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.00 2kll s TYR 36 CO -0.08 -0.34 0.11 0.08 -1.52 0.00 0.00 175.55 173.80 2kll s VAL 37 N -2.67 4.46 0.22 -3.49 1.01 -0.90 -0.79 120.40 118.23 2kll s VAL 37 Ca -0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 2kll s VAL 37 Cb -0.01 -3.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 2kll s VAL 37 CO -0.05 0.20 0.60 -1.61 0.00 0.00 0.00 175.10 174.24 2kll s GLU 38 N 1.61 3.94 -0.37 2.72 0.41 0.18 -4.90 118.70 122.29 2kll s GLU 38 Ca 0.05 0.48 -0.12 0.00 -0.41 0.00 0.00 54.97 54.96 2kll s GLU 38 Cb -0.16 -2.72 0.01 0.00 -1.78 0.00 0.00 34.13 29.48 2kll s GLU 38 CO 0.05 0.35 0.24 0.34 -0.49 0.00 0.00 175.26 175.74 2kll s ASP 39 N -2.07 5.89 -0.11 -0.19 2.15 -1.26 -1.16 116.67 119.92 2kll s ASP 39 Ca 0.45 -0.79 -0.05 0.00 0.43 0.00 0.00 52.55 52.58 2kll s ASP 39 Cb -0.13 -2.09 -0.04 0.00 -0.30 0.00 0.00 42.92 40.37 2kll s ASP 39 CO 0.20 -0.35 0.09 -0.76 -0.17 0.00 0.00 175.17 174.17 2kll s LEU 40 N 1.64 4.08 -0.13 -1.34 1.43 -1.26 -5.00 118.68 118.10 2kll s LEU 40 Ca 0.04 0.33 0.17 0.00 -1.03 0.00 0.00 54.13 53.64 2kll s LEU 40 Cb -0.18 -1.98 -0.24 0.00 0.03 0.00 0.00 46.19 43.81 2kll s LEU 40 CO 0.08 0.38 0.29 0.29 0.23 0.00 0.00 176.35 177.62 2kll n LYS 41 N 2.16 0.67 -4.06 1.70 4.01 -1.26 -4.83 118.16 116.55 2kll n LYS 41 Ca -0.19 0.06 -0.27 0.00 -0.51 0.00 0.00 58.31 57.40 2kll n LYS 41 Cb 0.54 -1.60 -0.03 0.00 -0.51 0.00 0.00 35.03 33.43 2kll n LYS 41 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2kll s LYS 42 N -2.62 2.26 -1.37 1.97 3.01 -1.26 -5.03 119.74 116.70 2kll s LYS 42 Ca -0.08 -2.01 -0.15 0.00 -1.01 0.00 0.00 55.97 52.72 2kll s LYS 42 Cb 0.07 -2.00 0.07 0.00 -1.01 0.00 0.00 37.83 34.97 2kll s LYS 42 CO 0.83 -0.44 1.96 -0.40 0.51 0.00 0.00 175.35 177.82 2kll n ASP 43 N -1.55 4.48 -4.67 2.83 5.75 -1.26 -4.94 116.55 117.18 2kll n ASP 43 Ca -0.04 -2.90 -0.36 0.00 -0.01 0.00 0.00 54.79 51.48 2kll n ASP 43 Cb 0.65 -1.67 -0.09 0.00 -1.03 0.00 0.00 41.12 38.97 2kll n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kll s GLU 44 N 3.22 4.08 0.67 0.11 0.41 -1.26 -5.07 118.70 120.86 2kll s GLU 44 Ca 0.49 -0.27 -0.17 0.00 -0.41 0.00 0.00 54.97 54.60 2kll s GLU 44 Cb 0.09 -3.46 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 2kll s GLU 44 CO -0.01 0.15 1.29 0.15 -0.49 0.00 0.00 175.26 176.35 2kll s LYS 45 N 0.78 2.44 0.04 1.61 3.01 -1.26 -5.03 119.74 121.32 2kll s LYS 45 Ca 0.07 2.04 0.01 0.00 -1.01 0.00 0.00 55.97 57.07 2kll s LYS 45 Cb -0.13 -1.83 -0.00 0.00 -1.01 0.00 0.00 37.83 34.86 2kll s LYS 45 CO 0.02 -1.68 0.02 1.63 0.51 0.00 0.00 175.35 175.85 2kll n LYS 46 N -2.07 0.49 -2.11 1.68 4.76 -1.26 -5.13 118.16 114.52 2kll n LYS 46 Ca 0.16 -0.38 -0.39 0.00 -2.87 0.00 0.00 58.31 54.82 2kll n LYS 46 Cb 0.48 0.26 -0.01 0.00 -1.84 0.00 0.00 35.03 33.92 2kll n LYS 46 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2kll s ASP 47 N -1.27 6.39 0.17 4.39 2.15 -1.26 -5.00 116.67 122.23 2kll s ASP 47 Ca 0.03 2.59 0.04 0.00 0.43 0.00 0.00 52.55 55.63 2kll s ASP 47 Cb 0.00 -2.63 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 2kll s ASP 47 CO 0.02 -0.79 0.25 -0.54 -0.17 0.00 0.00 175.17 173.95 2kll s LYS 48 N -2.21 3.29 -0.10 4.34 3.01 -1.26 -4.39 119.74 122.41 2kll s LYS 48 Ca 0.56 -0.70 0.01 0.00 -1.01 0.00 0.00 55.97 54.84 2kll s LYS 48 Cb -0.37 -2.86 0.02 0.00 -1.01 0.00 0.00 37.83 33.61 2kll s LYS 48 CO 0.47 0.50 -0.13 0.08 0.51 0.00 0.00 175.35 176.78 2kll s VAL 49 N -1.78 1.30 -0.53 3.17 1.01 0.40 -4.67 120.40 119.30 2kll s VAL 49 Ca 0.34 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 2kll s VAL 49 Cb -0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2kll s VAL 49 CO 0.27 0.40 1.76 -0.22 0.00 0.00 0.00 175.10 177.32 2kll s LEU 50 N 1.14 3.37 -0.18 3.92 2.96 -0.02 -0.67 118.68 129.19 2kll s LEU 50 Ca -0.04 0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 54.36 2kll s LEU 50 Cb -0.14 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 2kll s LEU 50 CO -0.03 -2.08 0.10 -0.76 -1.32 0.00 0.00 176.35 172.26 2kll s LEU 51 N 7.94 4.03 -0.08 -0.68 1.02 -0.24 -0.88 118.68 129.80 2kll s LEU 51 Ca 0.68 0.18 0.01 0.00 0.02 0.00 0.00 54.13 55.02 2kll s LEU 51 Cb -0.15 -2.03 0.02 0.00 0.02 0.00 0.00 46.19 44.05 2kll s LEU 51 CO 0.25 0.20 -0.11 -0.55 0.02 0.00 0.00 176.35 176.16 2kll s SER 52 N 0.24 1.95 0.29 2.29 0.15 -0.61 -1.48 113.70 116.53 2kll s SER 52 Ca 0.06 -0.31 -0.15 0.00 0.70 0.00 0.00 55.95 56.25 2kll s SER 52 Cb -0.12 -0.86 -0.09 0.00 -1.71 0.00 0.00 66.02 63.25 2kll s SER 52 CO -0.01 -0.01 0.70 -0.31 1.20 0.00 0.00 173.24 174.81 2kll s TYR 53 N 1.00 3.43 -0.02 3.44 1.51 -0.44 -0.61 117.35 125.66 2kll s TYR 53 Ca -0.08 1.19 0.01 0.00 -1.01 0.00 0.00 57.07 57.19 2kll s TYR 53 Cb -0.15 -2.51 0.01 0.00 -0.11 0.00 0.00 41.96 39.20 2kll s TYR 53 CO -0.00 0.16 -0.05 0.71 -1.11 0.00 0.00 175.55 175.26 2kll s TYR 54 N -1.87 0.58 0.04 2.71 1.51 -0.43 -1.49 117.35 118.41 2kll s TYR 54 Ca 0.51 -0.12 -0.27 0.00 -1.01 0.00 0.00 57.07 56.17 2kll s TYR 54 Cb -0.11 -0.45 -0.05 0.00 -0.11 0.00 0.00 41.96 41.23 2kll s TYR 54 CO 0.18 -0.08 0.86 -2.00 -1.11 0.00 0.00 175.55 173.41 2kll s GLU 55 N 0.30 4.56 0.20 -0.62 2.12 -1.25 -1.00 118.70 123.02 2kll s GLU 55 Ca -0.04 1.24 -0.28 0.00 0.36 0.00 0.00 54.97 56.25 2kll s GLU 55 Cb -0.07 -3.40 -0.08 0.00 0.26 0.00 0.00 34.13 30.83 2kll s GLU 55 CO -0.00 0.16 0.86 0.45 -0.54 0.00 0.00 175.26 176.18 2kll s SER 56 N 0.31 7.51 -0.29 -1.70 0.15 -1.24 -4.75 113.70 113.69 2kll s SER 56 Ca 0.44 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.88 2kll s SER 56 Cb -0.21 -2.55 0.18 0.00 -1.71 0.00 0.00 66.02 61.73 2kll s SER 56 CO 0.25 0.18 0.54 -1.58 1.20 0.00 0.00 173.24 173.84 2kll s GLN 57 N -1.14 0.51 -0.50 5.44 2.00 -1.26 -4.95 119.66 119.77 2kll s GLN 57 Ca 0.38 0.75 -0.15 0.00 -2.00 0.00 0.00 55.36 54.34 2kll s GLN 57 Cb -0.24 0.23 0.10 0.00 0.80 0.00 0.00 33.01 33.90 2kll s GLN 57 CO 0.29 -0.75 0.44 -1.01 -0.50 0.00 0.00 175.29 173.76 2kll s HIS 58 N 2.77 3.26 -1.26 1.67 3.76 -1.26 -5.01 115.29 119.21 2kll s HIS 58 Ca 0.16 -1.16 -0.19 0.00 -0.15 0.00 0.00 55.06 53.72 2kll s HIS 58 Cb -0.14 -3.49 0.04 0.00 1.11 0.00 0.00 32.58 30.11 2kll s HIS 58 CO -0.22 -0.92 1.76 -1.25 -0.85 0.00 0.00 174.74 173.27 2kll s PRO 59 N 1.60 3.70 0.00 8.40 0.04 -1.26 -3.98 135.00 143.51 2kll s PRO 59 Ca 0.04 -1.80 0.00 0.00 0.04 0.00 0.00 61.00 59.27 2kll s PRO 59 Cb -0.27 -5.48 0.00 0.00 0.04 0.00 0.00 34.50 28.79 2kll s PRO 59 CO 0.04 -2.57 0.00 -1.13 0.04 0.00 0.00 177.00 173.39 2kll n SER 60 N 9.51 0.00 0.00 6.66 3.41 -1.26 -5.00 113.62 126.94 2kll n SER 60 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2kll n SER 60 Cb 0.46 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2kll n SER 60 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2kll n ASN 61 N -2.19 0.00 -4.47 4.04 6.94 -1.26 -5.02 115.26 113.30 2kll n ASN 61 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.13 2kll n ASN 61 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2kll n ASN 61 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2kll n GLU 62 N 0.00 3.12 0.03 -3.83 -0.58 -1.26 -4.62 120.64 113.51 2kll n GLU 62 Ca 0.00 -3.17 0.11 0.00 -0.42 0.00 0.00 57.16 53.68 2kll n GLU 62 Cb 0.00 -3.48 0.01 0.00 -0.57 0.00 0.00 31.44 27.41 2kll n GLU 62 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2kll n SER 63 N 8.21 0.60 0.00 1.62 3.41 -1.26 -4.85 113.62 121.36 2kll n SER 63 Ca 0.49 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2kll n SER 63 Cb 0.45 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 2kll n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kll n GLY 64 N 1.35 -0.72 2.86 5.00 0.00 -1.26 -5.11 105.19 107.32 2kll n GLY 64 Ca 0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 2kll n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kll n ASP 65 N 0.00 -7.72 -3.52 1.61 9.92 -1.26 -5.05 116.55 110.53 2kll n ASP 65 Ca 0.00 0.91 -0.01 0.00 -0.53 0.00 0.00 54.79 55.16 2kll n ASP 65 Cb 0.00 -4.79 0.02 0.00 -0.64 0.00 0.00 41.12 35.71 2kll n ASP 65 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2kll s GLY 66 N -1.93 0.03 -0.28 0.44 0.00 -1.26 -5.03 107.32 99.30 2kll s GLY 66 Ca 0.12 -0.20 0.11 0.00 0.00 0.00 0.00 44.72 44.75 2kll s GLY 66 CO 0.72 3.52 1.53 3.33 0.00 0.00 0.00 173.10 182.19 2kll n VAL 67 N -0.77 2.57 -2.94 1.40 0.24 -1.26 -4.99 118.33 112.58 2kll n VAL 67 Ca -0.01 -2.31 -0.09 0.00 -2.04 0.00 0.00 64.34 59.89 2kll n VAL 67 Cb 0.59 -0.32 0.01 0.00 -1.47 0.00 0.00 33.84 32.65 2kll n VAL 67 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kll n ASP 68 N -0.87 -7.75 -2.56 -1.34 2.03 -1.26 -5.00 116.55 99.80 2kll n ASP 68 Ca 0.33 0.37 -0.01 0.00 0.52 0.00 0.00 54.79 56.00 2kll n ASP 68 Cb 1.09 -5.11 0.08 0.00 -0.72 0.00 0.00 41.12 36.46 2kll n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kll n GLY 69 N -0.57 1.80 3.77 0.27 0.00 -1.26 -5.12 105.19 104.07 2kll n GLY 69 Ca 0.08 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 2kll n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kll s LYS 70 N -1.39 4.07 0.09 1.61 -0.14 -1.26 -4.96 119.74 117.76 2kll s LYS 70 Ca 0.17 2.29 -0.30 0.00 -1.36 0.00 0.00 55.97 56.76 2kll s LYS 70 Cb 0.37 -2.88 -0.06 0.00 -1.68 0.00 0.00 37.83 33.58 2kll s LYS 70 CO -0.09 -0.45 1.20 0.00 -0.76 0.00 0.00 175.35 175.25 2kll s MET 71 N -2.11 4.44 -0.20 1.68 0.23 -1.26 -4.98 119.30 117.10 2kll s MET 71 Ca 0.54 1.80 -0.12 0.00 -1.03 0.00 0.00 55.69 56.87 2kll s MET 71 Cb -0.41 -3.32 -0.05 0.00 -1.53 0.00 0.00 34.83 29.52 2kll s MET 71 CO 0.54 -0.22 0.24 -0.51 -2.03 0.00 0.00 175.02 173.03 2kll s LEU 72 N 0.80 4.18 0.58 0.18 1.43 -1.26 -3.72 118.68 120.87 2kll s LEU 72 Ca 0.58 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2kll s LEU 72 Cb -0.30 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.69 2kll s LEU 72 CO 0.31 0.07 0.85 -0.04 0.23 0.00 0.00 176.35 177.77 2kll s MET 73 N 0.80 2.61 -0.06 1.70 -1.94 -0.17 -1.64 119.30 120.60 2kll s MET 73 Ca 0.12 -0.43 -0.11 0.00 -1.71 0.00 0.00 55.69 53.56 2kll s MET 73 Cb -0.13 -2.37 0.02 0.00 2.01 0.00 0.00 34.83 34.37 2kll s MET 73 CO 0.04 -0.78 0.28 0.54 -0.01 0.00 0.00 175.02 175.08 2kll s VAL 74 N -2.91 0.03 -0.08 -6.03 0.11 0.16 -1.31 120.40 110.37 2kll s VAL 74 Ca 0.56 -0.25 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 2kll s VAL 74 Cb -0.10 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2kll s VAL 74 CO 0.41 -0.14 -0.24 0.42 -3.33 0.00 0.00 175.10 172.22 2kll s THR 75 N -0.55 2.08 -0.27 5.04 -4.23 0.22 -1.41 115.64 116.51 2kll s THR 75 Ca -0.07 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.34 2kll s THR 75 Cb -0.04 -1.77 -0.00 0.00 1.34 0.00 0.00 72.50 72.03 2kll s THR 75 CO 0.02 0.56 0.06 -0.76 -0.54 0.00 0.00 174.62 173.96 2kll s LEU 76 N 0.09 3.60 -0.55 4.79 1.43 -1.26 -1.57 118.68 125.21 2kll s LEU 76 Ca -0.11 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 2kll s LEU 76 Cb -0.16 -1.87 0.15 0.00 0.03 0.00 0.00 46.19 44.34 2kll s LEU 76 CO 0.06 -0.13 0.35 -0.55 0.23 0.00 0.00 176.35 176.31 2kll s SER 77 N 1.53 3.92 0.00 2.29 0.15 -0.06 -3.26 113.70 118.27 2kll s SER 77 Ca 0.04 -3.20 0.18 0.00 0.70 0.00 0.00 55.95 53.67 2kll s SER 77 Cb -0.16 -1.30 0.78 0.00 -1.71 0.00 0.00 66.02 63.63 2kll s SER 77 CO 0.02 -0.18 1.59 -0.81 1.20 0.00 0.00 173.24 175.05 2kll n PRO 78 N 2.81 0.00 0.00 5.44 -0.04 -1.26 -0.84 135.00 141.10 2kll n PRO 78 Ca 0.14 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2kll n PRO 78 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2kll n PRO 78 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kll n THR 79 N -1.50 0.00 0.00 0.52 -2.24 -1.26 -4.83 114.28 104.97 2kll n THR 79 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2kll n THR 79 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2kll n THR 79 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2kll n LYS 80 N 0.00 0.00 0.08 -0.78 4.76 -1.26 -4.75 118.16 116.21 2kll n LYS 80 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 2kll n LYS 80 Cb 0.00 -0.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.99 2kll n LYS 80 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kll n ASP 81 N -0.32 0.74 -4.71 4.39 8.00 -1.26 -4.90 116.55 118.49 2kll n ASP 81 Ca 0.00 0.23 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 2kll n ASP 81 Cb 0.00 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 2kll n ASP 81 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kll s PHE 82 N -3.34 3.48 0.33 1.24 0.08 -1.26 -4.57 117.98 113.93 2kll s PHE 82 Ca -0.00 1.39 0.10 0.00 0.12 0.00 0.00 56.93 58.54 2kll s PHE 82 Cb 0.11 -3.35 -0.06 0.00 -0.57 0.00 0.00 43.02 39.15 2kll s PHE 82 CO 0.80 -0.99 -0.12 -1.58 -0.10 0.00 0.00 175.22 173.24 2kll s TRP 83 N 1.08 2.39 -0.06 0.36 0.51 -0.52 -4.31 118.94 118.40 2kll s TRP 83 Ca 0.57 -0.45 -0.30 0.00 -2.12 0.00 0.00 56.10 53.80 2kll s TRP 83 Cb -0.27 -1.29 -0.02 0.00 -0.81 0.00 0.00 33.47 31.08 2kll s TRP 83 CO 0.29 0.61 1.06 -0.51 -0.51 0.00 0.00 176.95 177.89 2kll s LEU 84 N -3.59 4.29 -0.08 2.99 1.02 -1.20 -1.38 118.68 120.74 2kll s LEU 84 Ca 0.32 1.66 0.01 0.00 0.02 0.00 0.00 54.13 56.14 2kll s LEU 84 Cb 0.00 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.67 2kll s LEU 84 CO 0.16 -0.43 -0.10 -1.00 0.02 0.00 0.00 176.35 175.01 2kll s HIS 85 N 1.72 1.36 0.01 0.29 3.76 -0.13 -4.49 115.29 117.82 2kll s HIS 85 Ca 0.52 -0.55 -0.26 0.00 -0.15 0.00 0.00 55.06 54.62 2kll s HIS 85 Cb -0.21 -1.06 -0.05 0.00 1.11 0.00 0.00 32.58 32.37 2kll s HIS 85 CO 0.22 -0.34 0.80 0.00 -0.85 0.00 0.00 174.74 174.58 2kll s ALA 86 N 1.03 3.31 -0.20 -1.40 0.00 -1.22 -1.35 121.76 121.92 2kll s ALA 86 Ca -0.08 0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 2kll s ALA 86 Cb -0.15 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2kll s ALA 86 CO -0.00 -0.03 -0.15 -0.80 0.00 0.00 0.00 175.76 174.77 2kll s ASN 87 N 0.34 3.57 0.05 0.00 0.01 -0.40 -4.98 114.94 113.53 2kll s ASN 87 Ca 0.41 -0.68 0.23 0.00 -0.71 0.00 0.00 52.86 52.12 2kll s ASN 87 Cb -0.20 -1.55 0.96 0.00 0.41 0.00 0.00 41.25 40.86 2kll s ASN 87 CO 0.23 -0.03 1.73 -0.46 -1.51 0.00 0.00 177.10 177.06 2kll n ASN 88 N 4.65 0.15 -0.15 -1.22 6.94 -1.26 -0.23 115.26 124.14 2kll n ASN 88 Ca -0.19 0.52 -0.10 0.00 -0.02 0.00 0.00 54.58 54.79 2kll n ASN 88 Cb 0.49 -0.56 -0.01 0.00 -2.36 0.00 0.00 39.78 37.35 2kll n ASN 88 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 2kll h LYS 89 N 0.00 0.72 0.00 -3.83 1.79 -1.94 -3.30 116.57 110.01 2kll h LYS 89 Ca 0.00 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2kll h LYS 89 Cb 0.43 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2kll h LYS 89 CO 0.00 0.76 0.00 0.39 -1.08 0.00 0.00 179.45 179.52 2kll n GLU 90 N -4.48 1.01 -3.32 3.15 1.02 -1.21 -5.00 120.64 111.82 2kll n GLU 90 Ca -0.00 -0.95 -0.24 0.00 -0.02 0.00 0.00 57.16 55.94 2kll n GLU 90 Cb 0.25 -0.95 0.02 0.00 -0.02 0.00 0.00 31.44 30.75 2kll n GLU 90 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kll n HIS 91 N -0.24 -2.04 -4.34 -0.32 8.25 0.69 -4.94 115.22 112.27 2kll n HIS 91 Ca 0.00 0.60 -0.18 0.00 -0.26 0.00 0.00 57.72 57.88 2kll n HIS 91 Cb 0.16 -3.94 -0.10 0.00 1.12 0.00 0.00 29.99 27.23 2kll n HIS 91 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kll s SER 92 N -2.85 2.38 -0.22 0.41 1.04 -1.01 -0.72 113.70 112.74 2kll s SER 92 Ca 0.42 -1.08 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 2kll s SER 92 Cb -0.20 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 2kll s SER 92 CO 0.51 -0.27 0.07 -0.69 0.98 0.00 0.00 173.24 173.85 2kll s VAL 93 N -3.10 4.60 0.11 5.02 1.01 -1.26 -1.28 120.40 125.50 2kll s VAL 93 Ca 0.24 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.20 2kll s VAL 93 Cb 0.01 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2kll s VAL 93 CO 0.07 0.39 -0.19 -1.61 0.00 0.00 0.00 175.10 173.75 2kll s GLU 94 N 1.06 1.10 -0.05 2.72 2.02 -0.46 -4.91 118.70 120.17 2kll s GLU 94 Ca 0.04 -1.17 -0.23 0.00 0.02 0.00 0.00 54.97 53.63 2kll s GLU 94 Cb -0.14 -1.28 -0.04 0.00 0.10 0.00 0.00 34.13 32.77 2kll s GLU 94 CO 0.03 0.29 0.68 -0.51 0.02 0.00 0.00 175.26 175.77 2kll s LEU 95 N -2.03 4.34 0.03 1.80 1.02 -1.26 -0.95 118.68 121.64 2kll s LEU 95 Ca 0.07 1.19 0.01 0.00 0.02 0.00 0.00 54.13 55.42 2kll s LEU 95 Cb -0.09 -3.06 -0.02 0.00 0.02 0.00 0.00 46.19 43.04 2kll s LEU 95 CO 0.04 -0.06 -0.05 -1.00 0.02 0.00 0.00 176.35 175.29 2kll s HIS 96 N 0.55 0.47 -0.55 0.29 3.76 -0.48 -4.88 115.29 114.45 2kll s HIS 96 Ca 0.36 -0.52 -0.09 0.00 -0.15 0.00 0.00 55.06 54.66 2kll s HIS 96 Cb -0.18 -0.30 0.14 0.00 1.11 0.00 0.00 32.58 33.36 2kll s HIS 96 CO 0.18 -0.14 0.43 0.21 -0.85 0.00 0.00 174.74 174.58 2kll s LYS 97 N -1.52 2.69 0.56 1.40 2.20 -1.26 -1.44 119.74 122.37 2kll s LYS 97 Ca -0.13 -1.98 0.06 0.00 -0.36 0.00 0.00 55.97 53.55 2kll s LYS 97 Cb -0.10 -4.00 0.05 0.00 -1.51 0.00 0.00 37.83 32.27 2kll s LYS 97 CO -0.00 -1.22 0.45 0.00 -0.36 0.00 0.00 175.35 174.22 2kll s GLU 99 N -4.33 -2.14 0.13 0.00 2.02 -1.26 -4.93 118.70 108.19 2kll s GLU 99 Ca 0.35 0.36 -0.21 0.00 0.02 0.00 0.00 54.97 55.49 2kll s GLU 99 Cb -0.03 -1.45 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 2kll s GLU 99 CO 0.22 -4.41 1.69 -0.22 0.02 0.00 0.00 175.26 172.56 2kll h LYS 100 N -3.09 -0.10 -5.29 1.61 1.63 -2.00 -3.38 116.57 105.95 2kll h LYS 100 Ca -0.51 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.22 2kll h LYS 100 Cb 1.34 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.97 2kll h LYS 100 CO 0.37 -0.06 0.41 -0.35 -3.45 0.00 0.00 179.45 176.37 2kll n PRO 101 N -5.24 0.48 -1.73 1.90 -0.04 -1.26 -4.88 135.00 124.22 2kll n PRO 101 Ca -0.03 -0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 62.33 2kll n PRO 101 Cb 0.17 -3.23 -0.03 0.00 -0.04 0.00 0.00 33.50 30.36 2kll n PRO 101 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kll s LEU 102 N 12.31 4.39 1.03 1.53 1.43 -1.26 -4.98 118.68 133.12 2kll s LEU 102 Ca 1.00 2.79 -0.14 0.00 -1.03 0.00 0.00 54.13 56.75 2kll s LEU 102 Cb -0.26 -3.58 0.20 0.00 0.03 0.00 0.00 46.19 42.58 2kll s LEU 102 CO 0.17 -0.98 1.11 -2.16 0.23 0.00 0.00 176.35 174.72 2kll s PRO 103 N 2.11 0.20 0.56 1.29 0.04 -1.26 -4.87 135.00 133.07 2kll s PRO 103 Ca 0.78 0.34 0.30 0.00 0.04 0.00 0.00 61.00 62.45 2kll s PRO 103 Cb -0.47 -1.73 1.69 0.00 0.04 0.00 0.00 34.50 34.04 2kll s PRO 103 CO 0.34 -2.85 2.18 -0.44 0.04 0.00 0.00 177.00 176.28 2kll h ASP 104 N -1.97 0.00 0.00 6.66 3.32 -1.94 -0.31 116.42 122.18 2kll h ASP 104 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2kll h ASP 104 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2kll h ASP 104 CO 0.54 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.11 2kll n GLN 105 N -3.70 0.99 -0.09 3.56 6.02 -1.26 -3.24 117.38 119.66 2kll n GLN 105 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 2kll n GLN 105 Cb 0.15 -1.20 -0.12 0.00 1.02 0.00 0.00 30.24 30.09 2kll n GLN 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kll n ALA 106 N -0.70 1.59 -2.65 -1.58 0.00 -0.13 -3.46 120.51 113.59 2kll n ALA 106 Ca 0.09 -1.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.10 2kll n ALA 106 Cb 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 2kll n ALA 106 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kll s PHE 107 N -2.40 3.33 -0.19 0.00 0.08 -1.20 -4.64 117.98 112.96 2kll s PHE 107 Ca -0.13 1.04 -0.02 0.00 0.12 0.00 0.00 56.93 57.94 2kll s PHE 107 Cb 0.05 -2.95 -0.01 0.00 -0.57 0.00 0.00 43.02 39.54 2kll s PHE 107 CO 0.62 -0.32 -0.08 -0.06 -0.10 0.00 0.00 175.22 175.27 2kll s PHE 108 N 2.50 2.90 -0.17 0.36 0.08 -0.50 -3.58 117.98 119.57 2kll s PHE 108 Ca 0.32 -0.87 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 2kll s PHE 108 Cb -0.16 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2kll s PHE 108 CO 0.09 -0.44 1.53 0.08 -0.10 0.00 0.00 175.22 176.38 2kll s VAL 109 N 1.05 3.82 0.20 -0.44 1.01 0.14 0.36 120.40 126.55 2kll s VAL 109 Ca 0.00 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 2kll s VAL 109 Cb -0.15 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 2kll s VAL 109 CO -0.01 -0.21 1.01 -0.22 0.00 0.00 0.00 175.10 175.67 2kll s LEU 110 N 4.45 4.55 -0.05 3.92 2.96 -0.65 -0.57 118.68 133.29 2kll s LEU 110 Ca 0.67 2.00 0.02 0.00 -0.22 0.00 0.00 54.13 56.61 2kll s LEU 110 Cb -0.26 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.84 2kll s LEU 110 CO 0.26 -0.05 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.13 2kll s HIS 111 N -0.64 1.28 0.02 5.38 3.76 -0.43 -4.66 115.29 119.99 2kll s HIS 111 Ca 0.45 -0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 54.68 2kll s HIS 111 Cb -0.27 -0.94 -0.05 0.00 1.11 0.00 0.00 32.58 32.43 2kll s HIS 111 CO 0.34 -0.22 0.82 0.54 -0.85 0.00 0.00 174.74 175.37 2kll s ASN 112 N 0.54 7.23 0.00 1.40 4.22 -1.26 -1.16 114.94 125.91 2kll s ASN 112 Ca -0.11 1.47 0.00 0.00 -2.14 0.00 0.00 52.86 52.09 2kll s ASN 112 Cb -0.14 -2.49 0.00 0.00 1.28 0.00 0.00 41.25 39.90 2kll s ASN 112 CO 0.02 -0.08 0.00 0.23 -2.04 0.00 0.00 177.10 175.23 2kll n MET 113 N 3.26 0.00 -0.15 3.55 2.81 -1.13 -4.97 117.12 120.49 2kll n MET 113 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2kll n MET 113 Cb 0.50 -0.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 2kll n MET 113 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2kll n HIS 114 N -2.39 -0.23 0.28 2.03 8.25 -1.16 -5.00 115.22 117.00 2kll n HIS 114 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2kll n HIS 114 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 2kll n HIS 114 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2kll h SER 115 N 0.00 -0.96 -0.00 0.41 0.87 -2.02 -3.34 113.55 108.51 2kll h SER 115 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2kll h SER 115 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2kll h SER 115 CO 0.00 -0.54 -0.03 0.59 -0.53 0.00 0.00 176.83 176.33 2kll n ASN 116 N -5.48 0.57 -4.74 6.23 3.02 -1.26 -5.03 115.26 108.57 2kll n ASN 116 Ca -0.11 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.25 2kll n ASN 116 Cb 0.38 0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 40.01 2kll n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kll s VAL 118 N -0.67 0.59 0.10 0.00 -7.23 -0.28 -2.83 120.40 110.08 2kll s VAL 118 Ca 0.45 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.77 2kll s VAL 118 Cb -0.27 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2kll s VAL 118 CO 0.34 -0.82 -0.17 -0.55 -0.31 0.00 0.00 175.10 173.58 2kll s SER 119 N -3.04 2.13 -0.42 4.85 0.15 -0.31 -0.97 113.70 116.09 2kll s SER 119 Ca 0.13 -0.70 -0.02 0.00 0.70 0.00 0.00 55.95 56.06 2kll s SER 119 Cb 0.06 -0.09 0.11 0.00 -1.71 0.00 0.00 66.02 64.39 2kll s SER 119 CO -0.04 -0.04 0.21 -0.36 1.20 0.00 0.00 173.24 174.21 2kll s PHE 120 N -1.47 3.59 0.17 3.44 0.08 -1.26 -1.32 117.98 121.21 2kll s PHE 120 Ca 0.05 -2.53 -0.22 0.00 0.12 0.00 0.00 56.93 54.34 2kll s PHE 120 Cb -0.09 -3.18 -0.08 0.00 -0.57 0.00 0.00 43.02 39.10 2kll s PHE 120 CO 0.03 -0.95 0.72 -2.00 -0.10 0.00 0.00 175.22 172.92 2kll s GLU 121 N 0.97 4.38 0.20 0.44 2.12 0.26 -1.12 118.70 125.95 2kll s GLU 121 Ca 0.10 0.97 -0.30 0.00 0.36 0.00 0.00 54.97 56.09 2kll s GLU 121 Cb -0.22 -3.11 -0.08 0.00 0.26 0.00 0.00 34.13 30.98 2kll s GLU 121 CO -0.05 0.52 0.99 0.00 -0.54 0.00 0.00 175.26 176.18 2kll n LYS 123 N 1.94 0.28 -0.08 0.00 4.81 -1.24 -3.70 118.16 120.17 2kll n LYS 123 Ca -0.00 0.17 -0.07 0.00 -0.87 0.00 0.00 58.31 57.55 2kll n LYS 123 Cb 0.47 -1.77 -0.15 0.00 0.02 0.00 0.00 35.03 33.60 2kll n LYS 123 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2kll n THR 124 N -2.22 1.13 -3.87 3.15 -2.24 -1.26 -4.74 114.28 104.22 2kll n THR 124 Ca 0.05 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 2kll n THR 124 Cb 0.44 -0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.14 2kll n THR 124 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kll s ASP 125 N -5.24 4.83 0.15 3.42 1.01 -1.24 -5.09 116.67 114.51 2kll s ASP 125 Ca -0.09 -3.48 -0.34 0.00 0.71 0.00 0.00 52.55 49.35 2kll s ASP 125 Cb 0.07 -1.69 -0.14 0.00 1.01 0.00 0.00 42.92 42.17 2kll s ASP 125 CO 0.81 -0.17 1.60 -2.65 0.21 0.00 0.00 175.17 174.96 2kll n PRO 126 N 2.51 2.15 -0.42 8.23 -0.02 -1.26 -1.92 135.00 144.28 2kll n PRO 126 Ca 0.14 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2kll n PRO 126 Cb 0.34 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 2kll n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kll n GLY 127 N 3.47 0.78 3.34 -1.23 0.00 -1.26 -5.07 105.19 105.23 2kll n GLY 127 Ca 0.17 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2kll n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kll s VAL 128 N -2.00 2.62 0.03 1.61 1.01 -0.81 -3.43 120.40 119.43 2kll s VAL 128 Ca 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.18 2kll s VAL 128 Cb 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2kll s VAL 128 CO 0.00 0.56 -0.15 -0.36 0.00 0.00 0.00 175.10 175.14 2kll s PHE 129 N -0.06 1.35 0.05 5.22 0.40 -0.49 -1.23 117.98 123.22 2kll s PHE 129 Ca -0.05 -0.34 -0.31 0.00 -0.60 0.00 0.00 56.93 55.64 2kll s PHE 129 Cb -0.14 -0.81 -0.05 0.00 0.51 0.00 0.00 43.02 42.52 2kll s PHE 129 CO 0.04 0.04 1.20 0.42 0.70 0.00 0.00 175.22 177.62 2kll s ILE 130 N -0.78 4.05 0.17 0.64 1.01 -0.28 -0.60 121.20 125.41 2kll s ILE 130 Ca 0.03 1.47 -0.20 0.00 0.00 0.00 0.00 60.65 61.95 2kll s ILE 130 Cb -0.08 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.50 2kll s ILE 130 CO 0.01 0.11 0.55 -0.83 0.00 0.00 0.00 174.94 174.77 2kll s GLY 131 N 1.09 -0.36 -0.52 6.18 0.00 -0.46 -4.48 107.32 108.77 2kll s GLY 131 Ca 0.59 0.11 -0.28 0.00 0.00 0.00 0.00 44.72 45.14 2kll s GLY 131 CO 0.29 -0.08 1.37 0.14 0.00 0.00 0.00 173.10 174.82 2kll s VAL 132 N -3.81 3.87 0.00 1.40 1.01 -1.17 -0.43 120.40 121.28 2kll s VAL 132 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2kll s VAL 132 Cb -0.01 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2kll s VAL 132 CO -0.08 -1.07 0.00 1.17 0.00 0.00 0.00 175.10 175.12 2kll n LYS 133 N 8.42 0.00 -0.04 2.72 4.81 0.36 -4.76 118.16 129.68 2kll n LYS 133 Ca 0.13 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.36 2kll n LYS 133 Cb 0.49 -0.22 -0.13 0.00 0.02 0.00 0.00 35.03 35.19 2kll n LYS 133 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2kll h ASP 134 N 0.00 0.22 0.00 3.14 3.32 -1.97 -3.45 116.42 117.68 2kll h ASP 134 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 57.03 56.31 2kll h ASP 134 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2kll h ASP 134 CO 0.00 1.64 0.00 -0.46 -1.72 0.00 0.00 179.24 178.70 2kll n ASN 135 N -4.01 0.00 -3.66 6.45 2.04 -1.26 -5.12 115.26 109.69 2kll n ASN 135 Ca -0.30 -0.78 -0.17 0.00 -0.44 0.00 0.00 54.58 52.89 2kll n ASN 135 Cb 0.85 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 38.01 2kll n ASN 135 CO 0.00 0.00 0.00 -1.38 -0.44 0.00 0.00 177.26 175.44 2kll s HIS 136 N 0.00 1.53 0.29 -2.53 -3.43 -1.26 -2.12 115.29 107.76 2kll s HIS 136 Ca 0.00 -1.55 -0.28 0.00 -0.80 0.00 0.00 55.06 52.42 2kll s HIS 136 Cb 0.00 -0.65 -0.09 0.00 -1.43 0.00 0.00 32.58 30.41 2kll s HIS 136 CO 0.00 -0.79 1.03 -0.51 -2.00 0.00 0.00 174.74 172.47 2kll s LEU 137 N -3.29 4.49 -0.05 5.38 1.43 -1.26 -0.48 118.68 124.89 2kll s LEU 137 Ca 0.40 2.10 -0.30 0.00 -1.03 0.00 0.00 54.13 55.30 2kll s LEU 137 Cb 0.04 -3.76 0.08 0.00 0.03 0.00 0.00 46.19 42.58 2kll s LEU 137 CO 0.22 -0.11 0.73 0.00 0.23 0.00 0.00 176.35 177.42 2kll s ALA 138 N -1.30 -1.78 -0.75 4.21 0.00 0.43 -4.35 121.76 118.21 2kll s ALA 138 Ca 0.46 1.28 -0.26 0.00 0.00 0.00 0.00 51.96 53.45 2kll s ALA 138 Cb -0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2kll s ALA 138 CO 0.34 -0.40 1.85 -0.51 0.00 0.00 0.00 175.76 177.04 2kll s LEU 139 N -1.35 3.24 -0.17 0.00 1.43 0.11 -1.35 118.68 120.58 2kll s LEU 139 Ca -0.08 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 2kll s LEU 139 Cb -0.00 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2kll s LEU 139 CO 0.06 -2.46 0.45 -0.63 0.23 0.00 0.00 176.35 174.00 2kll s ILE 140 N 9.15 5.17 -0.36 -0.59 1.01 0.23 -4.88 121.20 130.92 2kll s ILE 140 Ca 0.66 0.85 -0.23 0.00 0.00 0.00 0.00 60.65 61.92 2kll s ILE 140 Cb -0.09 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2kll s ILE 140 CO 0.11 0.26 0.79 -0.75 0.00 0.00 0.00 174.94 175.34 2kll s LYS 141 N 1.17 3.76 -0.05 2.79 2.20 -1.26 -1.40 119.74 126.94 2kll s LYS 141 Ca 0.22 0.32 0.03 0.00 -0.36 0.00 0.00 55.97 56.19 2kll s LYS 141 Cb -0.15 -3.81 0.01 0.00 -1.51 0.00 0.00 37.83 32.37 2kll s LYS 141 CO 0.09 -0.85 -0.14 0.08 -0.36 0.00 0.00 175.35 174.17 2kll s VAL 142 N 3.10 1.19 0.34 4.02 1.01 -1.22 -5.01 120.40 123.82 2kll s VAL 142 Ca 0.31 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 2kll s VAL 142 Cb -0.13 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.20 2kll s VAL 142 CO 0.17 0.36 0.54 -1.81 0.00 0.00 0.00 175.10 174.36 2kll s ASP 143 N 0.36 0.54 0.94 3.32 1.01 -1.26 -4.79 116.67 116.78 2kll s ASP 143 Ca -0.09 -1.31 0.00 0.00 0.71 0.00 0.00 52.55 51.86 2kll s ASP 143 Cb -0.13 0.69 0.00 0.00 1.01 0.00 0.00 42.92 44.49 2kll s ASP 143 CO 0.03 -1.36 0.00 -0.24 0.21 0.00 0.00 175.17 173.81 2kll n SER 144 N -1.22 -4.39 0.28 0.27 2.88 -1.26 -2.87 113.62 107.31 2kll n SER 144 Ca -0.02 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.70 2kll n SER 144 Cb 0.61 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 65.04 2kll n SER 144 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2kll h SER 145 N 0.00 0.00 0.07 -3.46 4.64 -2.02 -1.35 113.55 111.44 2kll h SER 145 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kll h SER 145 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2kll h SER 145 CO 0.00 0.00 -0.00 -0.33 -0.87 0.00 0.00 176.83 175.63 2kll h GLU 146 N 0.00 0.00 -0.05 4.77 5.08 -1.96 0.03 114.58 122.45 2kll h GLU 146 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kll h GLU 146 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kll h GLU 146 CO 0.00 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.30 2kll n ASN 147 N -3.16 0.26 -0.59 1.42 2.85 -0.51 -2.95 115.26 112.59 2kll n ASN 147 Ca -0.03 -2.00 0.06 0.00 -0.11 0.00 0.00 54.58 52.50 2kll n ASN 147 Cb 0.09 -0.03 0.17 0.00 1.24 0.00 0.00 39.78 41.24 2kll n ASN 147 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kll n LEU 148 N -0.36 3.07 -1.55 1.20 4.32 -0.00 -4.57 117.00 119.11 2kll n LEU 148 Ca 0.02 -2.43 -0.05 0.00 -0.02 0.00 0.00 56.01 53.53 2kll n LEU 148 Cb 0.04 -0.32 -0.00 0.00 -1.62 0.00 0.00 43.42 41.52 2kll n LEU 148 CO 0.01 0.68 0.43 0.00 -1.22 0.00 0.00 177.39 177.29 2kll s THR 150 N -0.01 4.44 0.03 0.00 2.01 -1.24 -4.90 115.64 115.98 2kll s THR 150 Ca 0.04 -2.47 0.32 0.00 0.31 0.00 0.00 61.69 59.89 2kll s THR 150 Cb 0.15 -3.85 0.34 0.00 0.01 0.00 0.00 72.50 69.16 2kll s THR 150 CO -0.05 -0.89 1.95 -0.33 -0.69 0.00 0.00 174.62 174.61 2kll h GLU 151 N 7.68 0.00 -0.36 4.92 5.08 -1.94 -2.87 114.58 127.08 2kll h GLU 151 Ca -0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2kll h GLU 151 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2kll h GLU 151 CO 0.77 0.00 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.84 2kll h ASN 152 N 0.00 0.65 0.55 1.42 2.35 -1.90 -2.82 115.58 115.83 2kll h ASN 152 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2kll h ASN 152 Cb 0.27 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2kll h ASN 152 CO 0.00 0.83 -0.03 2.30 -1.65 0.00 0.00 177.43 178.88 2kll n ILE 153 N -4.46 0.00 -3.01 2.81 -5.35 -1.09 -3.03 119.36 105.23 2kll n ILE 153 Ca -0.02 -0.01 -0.41 0.00 -0.27 0.00 0.00 62.75 62.04 2kll n ILE 153 Cb 0.30 -0.41 -0.05 0.00 -1.74 0.00 0.00 39.64 37.73 2kll n ILE 153 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2kll s LEU 154 N -2.58 4.08 0.18 7.28 1.43 -1.06 -3.98 118.68 124.03 2kll s LEU 154 Ca 0.28 0.78 0.09 0.00 -1.03 0.00 0.00 54.13 54.25 2kll s LEU 154 Cb 0.20 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 2kll s LEU 154 CO 0.47 -0.47 -0.19 -0.36 0.23 0.00 0.00 176.35 176.03 2kll s PHE 155 N 2.70 1.93 -0.05 0.29 0.40 -0.14 -3.50 117.98 119.60 2kll s PHE 155 Ca 0.30 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 2kll s PHE 155 Cb -0.15 -0.94 -0.00 0.00 0.51 0.00 0.00 43.02 42.44 2kll s PHE 155 CO 0.09 0.40 -0.17 0.15 0.70 0.00 0.00 175.22 176.39 2kll s LYS 156 N -2.91 1.86 -0.01 0.44 1.02 0.11 -1.12 119.74 119.12 2kll s LYS 156 Ca 0.18 -0.59 0.04 0.00 0.02 0.00 0.00 55.97 55.63 2kll s LYS 156 Cb -0.06 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.65 2kll s LYS 156 CO 0.08 0.20 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.06 2kll s LEU 157 N 0.17 2.80 0.08 3.17 1.43 -1.26 -0.18 118.68 124.90 2kll s LEU 157 Ca -0.07 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2kll s LEU 157 Cb -0.13 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2kll s LEU 157 CO 0.03 0.31 0.09 -0.44 0.23 0.00 0.00 176.35 176.57 2kll s SER 158 N -1.07 5.60 -0.82 2.29 0.01 -1.15 -4.89 113.70 113.68 2kll s SER 158 Ca 0.14 0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.33 2kll s SER 158 Cb -0.11 -1.53 0.21 0.00 0.21 0.00 0.00 66.02 64.81 2kll s SER 158 CO 0.03 0.17 0.73 -1.61 0.41 0.00 0.00 173.24 172.97 2kll s GLU 159 N -2.39 3.35 0.00 12.44 8.01 -1.26 -3.83 118.70 135.02 2kll s GLU 159 Ca 0.30 -2.72 0.00 0.00 0.01 0.00 0.00 54.97 52.55 2kll s GLU 159 Cb -0.12 -4.18 0.00 0.00 -4.31 0.00 0.00 34.13 25.52 2kll s GLU 159 CO 0.22 -1.25 0.00 -2.37 0.01 0.00 0.00 175.26 171.88