#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekc n GLY 2 N 0.00 0.10 0.35 -5.12 0.00 -1.26 -4.51 105.19 94.75 2ekc n GLY 2 Ca 0.00 -1.27 0.11 0.00 0.00 0.00 0.00 46.02 44.87 2ekc n GLY 2 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ekc h ARG 3 N 0.00 0.37 0.28 1.61 3.08 -1.96 -1.48 114.38 116.28 2ekc h ARG 3 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2ekc h ARG 3 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2ekc h ARG 3 CO 0.00 0.25 -0.13 0.82 -1.07 0.00 0.00 179.97 179.83 2ekc h ILE 4 N 0.38 0.76 -0.64 2.04 2.04 -1.91 -0.32 117.51 119.87 2ekc h ILE 4 Ca 0.25 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2ekc h ILE 4 Cb 0.49 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2ekc h ILE 4 CO -0.07 0.10 0.37 0.28 0.00 0.00 0.00 178.15 178.84 2ekc h SER 5 N -0.63 0.77 -0.56 1.72 0.02 -1.76 -1.98 113.55 111.13 2ekc h SER 5 Ca -0.04 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2ekc h SER 5 Cb 0.45 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2ekc h SER 5 CO 0.06 0.62 0.35 0.44 -1.14 0.00 0.00 176.83 177.16 2ekc h ASP 6 N 0.87 0.57 -0.31 3.07 3.32 -1.23 -1.53 116.42 121.17 2ekc h ASP 6 Ca 0.23 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2ekc h ASP 6 Cb -0.01 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2ekc h ASP 6 CO -0.04 0.40 0.18 0.50 -1.72 0.00 0.00 179.24 178.56 2ekc h LYS 7 N 0.69 0.43 -0.22 3.56 1.63 -0.66 -0.28 116.57 121.71 2ekc h LYS 7 Ca 0.22 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.90 2ekc h LYS 7 Cb 0.00 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2ekc h LYS 7 CO -0.09 0.35 -0.18 0.74 -3.45 0.00 0.00 179.45 176.83 2ekc h PHE 8 N 0.39 0.41 -0.48 1.91 0.04 -1.18 0.14 116.94 118.16 2ekc h PHE 8 Ca 0.11 -0.07 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 2ekc h PHE 8 Cb 0.04 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2ekc h PHE 8 CO -0.03 0.54 -0.18 1.15 -0.60 0.00 0.00 178.31 179.19 2ekc h THR 9 N 0.35 1.27 -0.12 -1.55 2.02 -0.96 -1.26 112.91 112.66 2ekc h THR 9 Ca 0.06 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 2ekc h THR 9 Cb 0.52 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2ekc h THR 9 CO 0.03 0.46 0.03 -0.08 0.37 0.00 0.00 175.52 176.33 2ekc h GLU 10 N 0.84 0.18 -0.94 6.66 4.81 -0.38 -2.53 114.58 123.22 2ekc h GLU 10 Ca 0.12 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2ekc h GLU 10 Cb 0.74 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 2ekc h GLU 10 CO 0.06 0.35 0.62 -0.07 -0.73 0.00 0.00 179.01 179.24 2ekc h LEU 11 N -0.01 1.08 -0.73 1.64 3.38 -0.64 -1.71 115.31 118.32 2ekc h LEU 11 Ca 0.04 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2ekc h LEU 11 Cb 0.25 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2ekc h LEU 11 CO 0.00 0.77 0.47 0.50 0.09 0.00 0.00 178.44 180.27 2ekc h LYS 12 N 1.27 0.90 0.00 1.13 3.64 -1.12 0.16 116.57 122.55 2ekc h LYS 12 Ca 0.35 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2ekc h LYS 12 Cb -0.13 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.48 2ekc h LYS 12 CO -0.08 0.59 -0.29 1.49 -2.27 0.00 0.00 179.45 178.89 2ekc h GLU 13 N 0.92 0.00 -0.01 1.90 4.81 -0.94 -1.83 114.58 119.44 2ekc h GLU 13 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2ekc h GLU 13 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2ekc h GLU 13 CO -0.09 0.29 -0.17 1.63 -0.73 0.00 0.00 179.01 179.93 2ekc n LYS 14 N -3.81 0.99 -3.32 1.92 5.02 -0.44 -4.94 118.16 113.59 2ekc n LYS 14 Ca -0.01 -0.54 -0.17 0.00 -2.02 0.00 0.00 58.31 55.57 2ekc n LYS 14 Cb 0.38 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.97 2ekc n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ekc n ARG 15 N -0.53 -6.17 -4.31 1.97 1.74 0.37 -4.79 116.66 104.94 2ekc n ARG 15 Ca 0.14 0.72 -0.18 0.00 -0.77 0.00 0.00 57.85 57.77 2ekc n ARG 15 Cb 0.33 -5.41 -0.10 0.00 -1.02 0.00 0.00 32.46 26.26 2ekc n ARG 15 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ekc s GLU 16 N -5.55 1.23 0.14 5.56 2.02 -0.05 -1.93 118.70 120.12 2ekc s GLU 16 Ca 0.20 -1.50 0.04 0.00 0.02 0.00 0.00 54.97 53.73 2ekc s GLU 16 Cb -0.09 -1.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.09 2ekc s GLU 16 CO 0.63 0.17 0.14 0.15 0.02 0.00 0.00 175.26 176.37 2ekc s LYS 17 N -3.46 2.99 0.29 1.61 -0.14 -0.09 -4.28 119.74 116.66 2ekc s LYS 17 Ca 0.19 -0.77 -0.25 0.00 -1.36 0.00 0.00 55.97 53.78 2ekc s LYS 17 Cb -0.01 -2.73 -0.09 0.00 -1.68 0.00 0.00 37.83 33.32 2ekc s LYS 17 CO 0.05 0.52 0.90 0.00 -0.76 0.00 0.00 175.35 176.06 2ekc s ALA 18 N -1.65 3.27 -0.26 5.17 0.00 -0.10 -4.87 121.76 123.33 2ekc s ALA 18 Ca 0.31 0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 2ekc s ALA 18 Cb -0.11 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2ekc s ALA 18 CO 0.24 0.21 0.03 -1.17 0.00 0.00 0.00 175.76 175.07 2ekc s LEU 19 N -1.92 3.40 -0.30 0.00 2.96 -1.26 -1.17 118.68 120.39 2ekc s LEU 19 Ca 0.47 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 2ekc s LEU 19 Cb -0.19 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2ekc s LEU 19 CO 0.24 -0.09 0.14 -0.69 -1.32 0.00 0.00 176.35 174.63 2ekc s VAL 20 N 1.52 4.53 -0.15 1.68 1.01 0.28 -1.06 120.40 128.21 2ekc s VAL 20 Ca 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2ekc s VAL 20 Cb -0.16 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2ekc s VAL 20 CO 0.01 0.10 0.06 -0.44 0.00 0.00 0.00 175.10 174.83 2ekc s SER 21 N 1.61 5.67 -0.18 3.32 0.01 -0.65 -0.85 113.70 122.63 2ekc s SER 21 Ca 0.05 0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.47 2ekc s SER 21 Cb -0.17 -1.88 0.01 0.00 0.21 0.00 0.00 66.02 64.19 2ekc s SER 21 CO 0.06 0.26 -0.15 -0.47 0.41 0.00 0.00 173.24 173.35 2ekc s TYR 22 N -0.15 2.82 0.10 2.43 5.04 -0.11 -0.46 117.35 127.02 2ekc s TYR 22 Ca 0.07 -1.32 0.03 0.00 -2.44 0.00 0.00 57.07 53.41 2ekc s TYR 22 Cb -0.12 -1.95 -0.04 0.00 0.35 0.00 0.00 41.96 40.20 2ekc s TYR 22 CO 0.01 -0.66 -0.09 -0.51 -1.34 0.00 0.00 175.55 172.97 2ekc s LEU 23 N 1.21 2.44 -0.18 6.97 1.43 -1.10 -4.47 118.68 124.98 2ekc s LEU 23 Ca 0.02 -0.87 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 2ekc s LEU 23 Cb -0.14 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 2ekc s LEU 23 CO -0.07 -0.33 0.08 -0.32 0.23 0.00 0.00 176.35 175.94 2ekc s MET 24 N -3.12 4.00 0.06 1.70 -2.45 -1.26 -0.94 119.30 117.28 2ekc s MET 24 Ca 0.07 -0.31 -0.31 0.00 -1.25 0.00 0.00 55.69 53.90 2ekc s MET 24 Cb -0.00 -3.25 -0.07 0.00 1.25 0.00 0.00 34.83 32.76 2ekc s MET 24 CO -0.01 0.30 1.42 0.08 1.05 0.00 0.00 175.02 177.86 2ekc s VAL 25 N 0.30 3.46 0.00 10.11 1.01 -0.97 -2.85 120.40 131.45 2ekc s VAL 25 Ca 0.05 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2ekc s VAL 25 Cb -0.12 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2ekc s VAL 25 CO -0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2ekc n GLY 26 N 3.62 0.65 3.29 4.51 0.00 -1.26 -4.70 105.19 111.29 2ekc n GLY 26 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2ekc n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ekc s TYR 27 N -2.54 2.76 -0.93 1.61 5.04 -1.13 -1.62 117.35 120.54 2ekc s TYR 27 Ca 0.00 -0.94 0.21 0.00 -2.44 0.00 0.00 57.07 53.91 2ekc s TYR 27 Cb 0.00 -1.86 0.89 0.00 0.35 0.00 0.00 41.96 41.34 2ekc s TYR 27 CO 0.00 -0.40 1.68 -0.35 -1.34 0.00 0.00 175.55 175.14 2ekc n PRO 28 N 3.86 0.04 -3.50 4.97 -0.04 -1.26 -3.99 135.00 135.08 2ekc n PRO 28 Ca -0.19 0.18 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 2ekc n PRO 28 Cb 0.52 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2ekc n PRO 28 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2ekc s ASP 29 N -3.24 -0.43 0.13 3.54 1.47 -0.64 -4.87 116.67 112.63 2ekc s ASP 29 Ca 0.09 -0.04 -0.28 0.00 1.18 0.00 0.00 52.55 53.51 2ekc s ASP 29 Cb 0.13 0.48 -0.05 0.00 -0.34 0.00 0.00 42.92 43.14 2ekc s ASP 29 CO 0.40 -0.79 1.60 0.22 0.68 0.00 0.00 175.17 177.28 2ekc h TYR 30 N 2.00 -1.01 -0.27 2.11 3.20 -1.92 -0.86 116.97 120.22 2ekc h TYR 30 Ca -0.27 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.70 2ekc h TYR 30 Cb 1.27 0.45 -0.06 0.00 1.54 0.00 0.00 36.73 39.92 2ekc h TYR 30 CO 0.26 -0.44 -0.15 1.49 -1.64 0.00 0.00 178.16 177.67 2ekc h GLU 31 N -0.49 -0.11 -0.76 1.82 4.81 -1.98 -0.55 114.58 117.32 2ekc h GLU 31 Ca 0.07 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2ekc h GLU 31 Cb 0.60 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 2ekc h GLU 31 CO -0.32 -0.08 0.44 1.15 -0.73 0.00 0.00 179.01 179.48 2ekc h THR 32 N -0.12 1.22 -0.41 0.32 2.02 -1.88 -2.09 112.91 111.98 2ekc h THR 32 Ca 0.15 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 2ekc h THR 32 Cb 0.34 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2ekc h THR 32 CO -0.35 0.24 0.04 0.77 0.37 0.00 0.00 175.52 176.59 2ekc h SER 33 N 1.04 0.59 -0.55 4.18 4.64 -0.54 -1.01 113.55 121.90 2ekc h SER 33 Ca 0.27 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 2ekc h SER 33 Cb -0.01 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 2ekc h SER 33 CO -0.05 0.64 -0.03 0.25 -0.87 0.00 0.00 176.83 176.77 2ekc h LEU 34 N 0.61 0.98 -0.69 5.97 5.85 -0.63 -0.25 115.31 127.13 2ekc h LEU 34 Ca 0.13 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2ekc h LEU 34 Cb 0.33 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2ekc h LEU 34 CO 0.01 1.06 0.21 0.11 -0.34 0.00 0.00 178.44 179.49 2ekc h LYS 35 N 0.87 1.08 -0.06 1.25 1.57 -0.93 -1.70 116.57 118.64 2ekc h LYS 35 Ca 0.15 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2ekc h LYS 35 Cb 0.58 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2ekc h LYS 35 CO 0.03 0.94 0.04 0.00 -0.57 0.00 0.00 179.45 179.89 2ekc h ALA 36 N 1.10 0.08 -0.46 3.86 0.00 -0.85 -0.57 119.26 122.42 2ekc h ALA 36 Ca 0.22 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2ekc h ALA 36 Cb 0.31 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2ekc h ALA 36 CO -0.01 -0.43 0.18 0.74 0.00 0.00 0.00 179.25 179.73 2ekc h PHE 37 N 0.08 0.31 -0.77 0.00 0.04 -0.82 -1.40 116.94 114.38 2ekc h PHE 37 Ca 0.02 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 2ekc h PHE 37 Cb -0.00 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 2ekc h PHE 37 CO -0.08 0.12 0.36 0.87 -0.60 0.00 0.00 178.31 178.98 2ekc h LYS 38 N 0.36 1.11 -0.28 1.51 1.57 -1.04 -2.39 116.57 117.41 2ekc h LYS 38 Ca 0.21 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2ekc h LYS 38 Cb 0.20 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2ekc h LYS 38 CO -0.21 0.86 0.08 1.49 -0.57 0.00 0.00 179.45 181.11 2ekc h GLU 39 N 1.10 0.43 0.00 3.15 4.57 -0.41 -0.81 114.58 122.62 2ekc h GLU 39 Ca 0.26 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 2ekc h GLU 39 Cb 0.13 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2ekc h GLU 39 CO -0.03 0.50 -0.39 -0.39 -1.18 0.00 0.00 179.01 177.53 2ekc h VAL 40 N 0.28 1.24 -0.18 0.32 -1.51 -1.15 -2.00 116.25 113.24 2ekc h VAL 40 Ca 0.09 -1.34 -0.17 0.00 -1.23 0.00 0.00 66.70 64.05 2ekc h VAL 40 Cb 0.25 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2ekc h VAL 40 CO -0.00 0.38 -0.56 -0.07 -1.23 0.00 0.00 177.57 176.09 2ekc h LEU 41 N 0.00 0.81 -1.61 4.19 3.38 -1.21 -2.19 115.31 118.69 2ekc h LEU 41 Ca -0.00 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 2ekc h LEU 41 Cb 0.70 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2ekc h LEU 41 CO 0.05 1.26 -0.19 0.50 0.09 0.00 0.00 178.44 180.15 2ekc h LYS 42 N 0.41 0.00 -0.64 1.13 3.64 -0.89 -3.13 116.57 117.08 2ekc h LYS 42 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2ekc h LYS 42 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2ekc h LYS 42 CO 0.12 0.19 0.00 0.09 -2.27 0.00 0.00 179.45 177.58 2ekc n ASN 43 N -3.68 4.31 0.00 4.20 3.02 -0.78 -4.93 115.26 117.41 2ekc n ASN 43 Ca -0.01 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 2ekc n ASN 43 Cb 0.31 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2ekc n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ekc n GLY 44 N 1.06 1.03 3.72 7.41 0.00 -1.18 -3.86 105.19 113.37 2ekc n GLY 44 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2ekc n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ekc s THR 45 N -2.00 2.60 -0.13 2.61 2.01 -0.83 -4.73 115.64 115.17 2ekc s THR 45 Ca 0.00 0.43 0.08 0.00 0.31 0.00 0.00 61.69 62.52 2ekc s THR 45 Cb 0.00 -3.28 -0.23 0.00 0.01 0.00 0.00 72.50 69.00 2ekc s THR 45 CO 0.00 0.03 0.34 0.47 -0.69 0.00 0.00 174.62 174.78 2ekc n ASP 46 N 3.93 1.09 -3.82 3.53 8.00 -0.22 -4.86 116.55 124.20 2ekc n ASP 46 Ca 0.14 0.20 -0.16 0.00 0.71 0.00 0.00 54.79 55.68 2ekc n ASP 46 Cb 0.38 -0.04 -0.16 0.00 -0.02 0.00 0.00 41.12 41.29 2ekc n ASP 46 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ekc s ILE 47 N -2.55 0.12 -0.14 0.53 1.01 -1.00 -3.98 121.20 115.19 2ekc s ILE 47 Ca -0.14 0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 2ekc s ILE 47 Cb 0.07 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 2ekc s ILE 47 CO 0.79 0.12 0.07 -0.22 0.00 0.00 0.00 174.94 175.69 2ekc s LEU 48 N 0.89 3.91 -0.24 2.97 2.96 -0.44 -1.63 118.68 127.11 2ekc s LEU 48 Ca -0.09 0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.98 2ekc s LEU 48 Cb -0.12 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 2ekc s LEU 48 CO -0.02 0.29 -0.00 -1.61 -1.32 0.00 0.00 176.35 173.69 2ekc s GLU 49 N -0.35 3.39 -0.34 1.98 2.02 0.39 -0.00 118.70 125.79 2ekc s GLU 49 Ca 0.09 -0.63 -0.13 0.00 0.02 0.00 0.00 54.97 54.32 2ekc s GLU 49 Cb -0.12 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 2ekc s GLU 49 CO 0.02 -0.23 0.25 0.42 0.02 0.00 0.00 175.26 175.73 2ekc s ILE 50 N 1.51 5.28 -0.07 -1.63 1.01 0.50 -2.70 121.20 125.10 2ekc s ILE 50 Ca 0.05 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 2ekc s ILE 50 Cb -0.15 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2ekc s ILE 50 CO -0.01 -0.03 1.08 -0.83 0.00 0.00 0.00 174.94 175.14 2ekc s GLY 51 N 1.72 2.34 -0.47 6.18 0.00 -0.12 -0.58 107.32 116.39 2ekc s GLY 51 Ca 0.06 0.49 -0.13 0.00 0.00 0.00 0.00 44.72 45.14 2ekc s GLY 51 CO 0.11 1.99 0.37 -0.12 0.00 0.00 0.00 173.10 175.45 2ekc s PHE 52 N 1.92 3.28 0.05 1.90 5.36 -0.78 -2.30 117.98 127.42 2ekc s PHE 52 Ca 0.52 -1.22 -0.38 0.00 -0.96 0.00 0.00 56.93 54.89 2ekc s PHE 52 Cb -0.21 -3.24 -0.17 0.00 -0.34 0.00 0.00 43.02 39.06 2ekc s PHE 52 CO 0.21 -0.86 1.29 -2.30 -1.46 0.00 0.00 175.22 172.10 2ekc n PRO 53 N 5.11 0.87 -4.33 10.12 -0.02 -1.26 -4.77 135.00 140.72 2ekc n PRO 53 Ca -0.12 0.31 -0.20 0.00 -2.02 0.00 0.00 63.50 61.48 2ekc n PRO 53 Cb 0.43 -1.92 -0.13 0.00 -0.02 0.00 0.00 33.50 31.85 2ekc n PRO 53 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2ekc s PHE 54 N 0.48 1.22 -0.40 6.00 5.36 -1.26 -4.98 117.98 124.40 2ekc s PHE 54 Ca 0.87 -0.37 0.26 0.00 -0.96 0.00 0.00 56.93 56.73 2ekc s PHE 54 Cb -1.04 -0.72 1.02 0.00 -0.34 0.00 0.00 43.02 41.94 2ekc s PHE 54 CO 0.50 0.04 1.77 0.66 -1.46 0.00 0.00 175.22 176.73 2ekc h SER 55 N 4.86 0.00 -1.62 6.13 4.64 -1.94 -3.36 113.55 122.27 2ekc h SER 55 Ca -0.38 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.47 2ekc h SER 55 Cb 1.18 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.92 2ekc h SER 55 CO 0.43 0.00 -1.02 -0.67 -0.87 0.00 0.00 176.83 174.70 2ekc n ASP 56 N -2.43 -0.09 -3.22 4.97 2.03 -1.26 -5.04 116.55 111.51 2ekc n ASP 56 Ca 0.02 -2.99 -0.25 0.00 0.52 0.00 0.00 54.79 52.09 2ekc n ASP 56 Cb 0.28 -0.14 -0.02 0.00 -0.72 0.00 0.00 41.12 40.51 2ekc n ASP 56 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2ekc n PRO 57 N 0.85 2.21 0.25 -0.67 -0.04 -1.26 -4.74 135.00 131.60 2ekc n PRO 57 Ca 0.20 -1.57 0.17 0.00 -0.04 0.00 0.00 63.50 62.27 2ekc n PRO 57 Cb 0.61 -2.53 0.90 0.00 -0.04 0.00 0.00 33.50 32.45 2ekc n PRO 57 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2ekc h VAL 58 N 3.47 0.00 -0.01 0.52 -1.51 -1.96 -2.34 116.25 114.42 2ekc h VAL 58 Ca 0.53 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.96 2ekc h VAL 58 Cb 0.21 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 2ekc h VAL 58 CO 1.52 0.00 -0.37 0.00 -1.23 0.00 0.00 177.57 177.49 2ekc n ALA 59 N -1.94 3.32 -2.79 5.19 0.00 -1.26 -4.93 120.51 118.09 2ekc n ALA 59 Ca -0.02 -0.50 -0.28 0.00 0.00 0.00 0.00 53.44 52.64 2ekc n ALA 59 Cb 0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 2ekc n ALA 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ekc s ASP 60 N -2.52 6.39 0.99 0.00 1.01 -0.88 -5.10 116.67 116.56 2ekc s ASP 60 Ca 0.21 0.39 -0.15 0.00 0.71 0.00 0.00 52.55 53.71 2ekc s ASP 60 Cb 0.19 -2.00 0.19 0.00 1.01 0.00 0.00 42.92 42.30 2ekc s ASP 60 CO 0.55 0.01 1.19 -0.83 0.21 0.00 0.00 175.17 176.30 2ekc s GLY 61 N -2.96 1.64 0.21 0.21 0.00 -1.26 -4.71 107.32 100.45 2ekc s GLY 61 Ca 0.38 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 44.14 2ekc s GLY 61 CO 0.28 -0.14 1.66 -2.55 0.00 0.00 0.00 173.10 172.35 2ekc h PRO 62 N -1.78 0.08 -0.22 2.90 0.11 -1.99 -0.95 132.00 130.15 2ekc h PRO 62 Ca -0.47 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2ekc h PRO 62 Cb 1.29 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2ekc h PRO 62 CO 0.48 0.05 0.13 1.15 -0.21 0.00 0.00 178.00 179.61 2ekc h THR 63 N 0.08 1.04 -0.13 -1.15 2.02 -1.97 -2.13 112.91 110.67 2ekc h THR 63 Ca 0.31 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 67.27 2ekc h THR 63 Cb 0.49 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2ekc h THR 63 CO -0.54 0.05 -0.45 0.40 0.37 0.00 0.00 175.52 175.35 2ekc h ILE 64 N 0.28 1.32 -0.39 3.11 1.08 -1.85 -2.62 117.51 118.44 2ekc h ILE 64 Ca 0.08 -1.63 -0.03 0.00 -0.39 0.00 0.00 64.86 62.90 2ekc h ILE 64 Cb -0.02 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 2ekc h ILE 64 CO -0.03 0.49 0.12 1.56 -0.69 0.00 0.00 178.15 179.59 2ekc h GLN 65 N 0.25 0.56 -0.44 2.37 4.20 -0.88 -1.05 115.11 120.12 2ekc h GLN 65 Ca 0.02 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2ekc h GLN 65 Cb 0.90 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 2ekc h GLN 65 CO 0.07 0.50 0.05 0.28 -0.67 0.00 0.00 178.83 179.07 2ekc h VAL 66 N 0.56 1.25 -0.87 -0.54 2.07 -1.03 -2.11 116.25 115.58 2ekc h VAL 66 Ca 0.13 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.77 2ekc h VAL 66 Cb 0.18 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2ekc h VAL 66 CO -0.01 0.32 0.55 0.00 0.02 0.00 0.00 177.57 178.46 2ekc h ALA 67 N 0.93 1.16 0.42 1.67 0.00 -1.10 -0.67 119.26 121.68 2ekc h ALA 67 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2ekc h ALA 67 Cb 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ekc h ALA 67 CO 0.01 0.36 -0.29 0.45 0.00 0.00 0.00 179.25 179.79 2ekc h HIS 68 N 1.05 -0.76 -0.07 0.00 -0.00 -0.88 -1.28 115.15 113.22 2ekc h HIS 68 Ca 0.36 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.75 2ekc h HIS 68 Cb 0.06 0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 2ekc h HIS 68 CO -0.02 -0.43 -0.09 1.49 -0.00 0.00 0.00 177.93 178.87 2ekc h GLU 69 N -0.69 -0.12 -0.05 2.45 4.81 -1.01 -0.99 114.58 118.98 2ekc h GLU 69 Ca -0.04 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2ekc h GLU 69 Cb 0.58 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 2ekc h GLU 69 CO 0.03 -0.08 0.03 0.28 -0.73 0.00 0.00 179.01 178.54 2ekc h VAL 70 N -0.12 1.02 -0.87 0.32 2.07 -1.13 -0.99 116.25 116.55 2ekc h VAL 70 Ca 0.06 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2ekc h VAL 70 Cb 0.21 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2ekc h VAL 70 CO -0.14 0.02 0.53 0.00 0.02 0.00 0.00 177.57 178.00 2ekc h ALA 71 N 1.01 1.21 -0.44 1.67 0.00 -1.05 -0.17 119.26 121.49 2ekc h ALA 71 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2ekc h ALA 71 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ekc h ALA 71 CO -0.00 0.24 -0.09 -0.07 0.00 0.00 0.00 179.25 179.33 2ekc h LEU 72 N 0.94 0.77 -1.20 0.00 3.38 -0.81 -1.89 115.31 116.50 2ekc h LEU 72 Ca 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2ekc h LEU 72 Cb 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2ekc h LEU 72 CO -0.20 0.89 -0.10 0.11 0.09 0.00 0.00 178.44 179.23 2ekc h LYS 73 N 0.72 0.00 -0.00 1.13 1.57 -0.16 -0.88 116.57 118.94 2ekc h LYS 73 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2ekc h LYS 73 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2ekc h LYS 73 CO 0.03 0.10 -0.03 0.09 -0.57 0.00 0.00 179.45 179.08 2ekc n ASN 74 N -3.23 0.10 0.00 0.86 3.02 -0.18 -4.91 115.26 110.93 2ekc n ASN 74 Ca 0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2ekc n ASN 74 Cb 0.38 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 2ekc n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ekc n GLY 75 N 1.30 0.60 3.70 7.41 0.00 -0.34 -5.02 105.19 112.84 2ekc n GLY 75 Ca 0.14 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2ekc n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ekc s ILE 76 N -2.00 3.28 0.42 -0.61 -1.09 -0.86 -5.01 121.20 115.33 2ekc s ILE 76 Ca 0.00 0.82 0.07 0.00 -2.23 0.00 0.00 60.65 59.31 2ekc s ILE 76 Cb 0.00 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.30 2ekc s ILE 76 CO 0.00 0.03 0.17 -0.13 -1.23 0.00 0.00 174.94 173.77 2ekc s ARG 77 N 1.84 2.20 0.33 2.79 0.52 -1.26 -4.77 118.95 120.60 2ekc s ARG 77 Ca 0.67 -1.90 0.02 0.00 -0.52 0.00 0.00 55.73 54.00 2ekc s ARG 77 Cb -0.37 -1.94 0.59 0.00 0.52 0.00 0.00 34.95 33.76 2ekc s ARG 77 CO 0.30 -0.14 1.97 0.35 0.02 0.00 0.00 175.30 177.80 2ekc h PHE 78 N 1.43 0.90 -0.59 -0.53 3.57 -1.95 -0.82 116.94 118.96 2ekc h PHE 78 Ca -0.43 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 2ekc h PHE 78 Cb 1.25 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 2ekc h PHE 78 CO 0.68 0.53 0.34 0.93 -2.23 0.00 0.00 178.31 178.56 2ekc h GLU 79 N 0.93 0.79 -0.14 1.11 3.07 -1.99 -1.66 114.58 116.70 2ekc h GLU 79 Ca 0.30 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 58.92 2ekc h GLU 79 Cb 0.04 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 2ekc h GLU 79 CO -0.09 0.57 -0.63 -0.44 -1.40 0.00 0.00 179.01 177.02 2ekc h ASP 80 N 0.81 0.57 -0.38 1.42 3.32 -1.57 -2.04 116.42 118.56 2ekc h ASP 80 Ca 0.21 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2ekc h ASP 80 Cb -0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2ekc h ASP 80 CO -0.04 1.06 0.20 0.58 -1.72 0.00 0.00 179.24 179.32 2ekc h VAL 81 N 0.37 1.15 0.00 -1.35 2.07 -0.67 -2.05 116.25 115.77 2ekc h VAL 81 Ca -0.01 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 2ekc h VAL 81 Cb 1.19 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2ekc h VAL 81 CO 0.11 0.16 -0.51 -0.07 0.02 0.00 0.00 177.57 177.28 2ekc h LEU 82 N 0.48 0.00 -0.65 2.57 3.38 -1.29 -2.15 115.31 117.66 2ekc h LEU 82 Ca 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2ekc h LEU 82 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2ekc h LEU 82 CO -0.02 0.51 0.07 -0.08 0.09 0.00 0.00 178.44 179.02 2ekc h GLU 83 N 0.00 1.09 -0.54 1.13 4.57 -1.09 0.13 114.58 119.88 2ekc h GLU 83 Ca -0.01 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.77 2ekc h GLU 83 Cb 0.98 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 2ekc h GLU 83 CO 0.07 1.02 -0.05 1.25 -1.18 0.00 0.00 179.01 180.12 2ekc h LEU 84 N 1.00 0.97 -0.12 1.64 6.46 -1.16 -0.56 115.31 123.54 2ekc h LEU 84 Ca 0.19 -0.33 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2ekc h LEU 84 Cb 0.48 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2ekc h LEU 84 CO 0.02 1.07 0.07 -1.28 -0.62 0.00 0.00 178.44 177.70 2ekc h SER 85 N 0.85 0.15 -0.75 1.25 0.87 -1.08 -1.03 113.55 113.82 2ekc h SER 85 Ca 0.15 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2ekc h SER 85 Cb 0.60 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 2ekc h SER 85 CO 0.04 0.19 0.49 -0.08 -0.53 0.00 0.00 176.83 176.94 2ekc h GLU 86 N 0.10 0.95 -0.45 2.24 4.81 -0.66 0.13 114.58 121.71 2ekc h GLU 86 Ca 0.04 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ekc h GLU 86 Cb 0.07 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2ekc h GLU 86 CO -0.01 0.63 0.26 1.15 -0.73 0.00 0.00 179.01 180.32 2ekc h THR 87 N 0.98 1.15 -0.14 0.32 2.02 -0.82 -2.87 112.91 113.55 2ekc h THR 87 Ca 0.28 -0.35 -0.16 0.00 0.77 0.00 0.00 66.41 66.95 2ekc h THR 87 Cb -0.07 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2ekc h THR 87 CO -0.08 0.15 -0.57 -0.07 0.37 0.00 0.00 175.52 175.32 2ekc h LEU 88 N 0.59 0.50 -1.41 2.58 3.38 -0.83 -3.13 115.31 117.00 2ekc h LEU 88 Ca 0.16 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2ekc h LEU 88 Cb 0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2ekc h LEU 88 CO -0.03 0.97 0.46 -0.09 0.09 0.00 0.00 178.44 179.84 2ekc h ARG 89 N 0.34 0.69 -0.12 1.13 9.65 -0.55 0.14 114.38 125.67 2ekc h ARG 89 Ca 0.00 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 2ekc h ARG 89 Cb 1.10 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 2ekc h ARG 89 CO 0.10 0.46 -0.32 0.87 2.80 0.00 0.00 179.97 183.88 2ekc h LYS 90 N 0.71 0.23 0.00 0.20 1.57 -1.45 -3.02 116.57 114.81 2ekc h LYS 90 Ca 0.31 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 2ekc h LYS 90 Cb 0.28 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2ekc h LYS 90 CO -0.10 0.53 -1.40 0.93 -0.57 0.00 0.00 179.45 178.85 2ekc h GLU 91 N 0.20 0.00 -2.48 3.15 5.08 -1.38 -3.41 114.58 115.75 2ekc h GLU 91 Ca 0.03 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.79 2ekc h GLU 91 Cb 0.68 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.52 2ekc h GLU 91 CO 0.05 0.35 -0.80 1.19 -1.00 0.00 0.00 179.01 178.79 2ekc n PHE 92 N -2.94 1.37 -0.32 4.33 3.72 -0.06 -5.00 117.46 118.56 2ekc n PHE 92 Ca -0.10 -3.83 0.17 0.00 -0.05 0.00 0.00 57.45 53.63 2ekc n PHE 92 Cb 0.87 -0.29 0.41 0.00 -0.94 0.00 0.00 39.48 39.53 2ekc n PHE 92 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2ekc h PRO 93 N 4.94 0.58 -0.02 -1.08 0.11 -1.77 -3.16 132.00 131.61 2ekc h PRO 93 Ca 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2ekc h PRO 93 Cb 0.81 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2ekc h PRO 93 CO 0.59 0.38 -0.19 -0.25 -0.21 0.00 0.00 178.00 178.32 2ekc n ASP 94 N -4.68 2.05 -4.67 -2.05 8.00 -1.26 -4.95 116.55 108.99 2ekc n ASP 94 Ca 0.23 -1.53 -0.43 0.00 0.71 0.00 0.00 54.79 53.78 2ekc n ASP 94 Cb 0.67 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 42.00 2ekc n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ekc s ILE 95 N -1.75 4.33 0.26 0.53 -1.09 -1.19 -4.86 121.20 117.43 2ekc s ILE 95 Ca 0.17 1.62 -0.30 0.00 -2.23 0.00 0.00 60.65 59.91 2ekc s ILE 95 Cb 0.14 -4.05 -0.11 0.00 -1.58 0.00 0.00 42.46 36.87 2ekc s ILE 95 CO 0.33 -0.10 1.56 -2.84 -1.23 0.00 0.00 174.94 172.66 2ekc s PRO 96 N 3.09 4.17 -0.19 2.79 0.02 -1.26 -4.88 135.00 138.74 2ekc s PRO 96 Ca 0.54 2.49 -0.03 0.00 0.02 0.00 0.00 61.00 64.01 2ekc s PRO 96 Cb -0.22 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.23 2ekc s PRO 96 CO 0.16 -0.58 -0.05 -0.06 -0.33 0.00 0.00 177.00 176.14 2ekc s PHE 97 N 0.17 2.95 -0.21 6.54 0.40 -1.26 -1.32 117.98 125.25 2ekc s PHE 97 Ca 0.63 -0.74 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 2ekc s PHE 97 Cb -0.46 -2.04 -0.00 0.00 0.51 0.00 0.00 43.02 41.03 2ekc s PHE 97 CO 0.44 -0.39 -0.08 -0.51 0.70 0.00 0.00 175.22 175.38 2ekc s LEU 98 N 1.08 2.70 -0.14 -0.37 1.43 1.00 -0.48 118.68 123.90 2ekc s LEU 98 Ca 0.01 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 2ekc s LEU 98 Cb -0.15 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2ekc s LEU 98 CO -0.00 -0.01 0.88 -0.22 0.23 0.00 0.00 176.35 177.23 2ekc s LEU 99 N 1.40 4.20 -0.47 1.79 2.96 -0.22 -0.37 118.68 127.97 2ekc s LEU 99 Ca 0.05 1.29 -0.18 0.00 -0.22 0.00 0.00 54.13 55.07 2ekc s LEU 99 Cb -0.14 -3.33 0.05 0.00 0.50 0.00 0.00 46.19 43.27 2ekc s LEU 99 CO -0.05 -0.40 0.53 -0.32 -1.32 0.00 0.00 176.35 174.78 2ekc s MET 100 N 2.05 3.09 0.01 1.98 -2.45 0.25 -1.58 119.30 122.65 2ekc s MET 100 Ca 0.41 -0.93 0.01 0.00 -1.25 0.00 0.00 55.69 53.94 2ekc s MET 100 Cb -0.17 -4.06 -0.01 0.00 1.25 0.00 0.00 34.83 31.84 2ekc s MET 100 CO 0.14 -1.07 -0.04 -0.08 1.05 0.00 0.00 175.02 175.02 2ekc s THR 101 N 2.29 0.32 0.76 10.11 -1.32 -1.04 -1.87 115.64 124.90 2ekc s THR 101 Ca 0.12 -0.46 -0.11 0.00 -1.21 0.00 0.00 61.69 60.03 2ekc s THR 101 Cb -0.19 -0.33 0.05 0.00 -1.51 0.00 0.00 72.50 70.52 2ekc s THR 101 CO 0.12 -0.10 1.10 -0.31 -2.21 0.00 0.00 174.62 173.22 2ekc s TYR 102 N -0.54 3.02 0.04 9.09 1.51 -1.26 -4.17 117.35 125.05 2ekc s TYR 102 Ca -0.03 1.09 -0.20 0.00 -1.01 0.00 0.00 57.07 56.92 2ekc s TYR 102 Cb -0.04 -3.12 -0.14 0.00 -0.11 0.00 0.00 41.96 38.55 2ekc s TYR 102 CO -0.00 -1.55 1.35 -0.92 -1.11 0.00 0.00 175.55 173.32 2ekc h TYR 103 N -0.92 0.47 -0.79 2.71 3.20 -1.94 -3.35 116.97 116.35 2ekc h TYR 103 Ca -0.46 -0.14 0.16 0.00 3.14 0.00 0.00 58.73 61.43 2ekc h TYR 103 Cb 1.26 -0.10 -0.15 0.00 1.54 0.00 0.00 36.73 39.29 2ekc h TYR 103 CO 0.47 0.77 -0.19 -0.97 -1.64 0.00 0.00 178.16 176.60 2ekc h ASN 104 N 0.03 -0.73 -0.66 -2.11 -1.24 -1.94 -0.05 115.58 108.88 2ekc h ASN 104 Ca 0.02 0.24 0.08 0.00 0.71 0.00 0.00 56.30 57.35 2ekc h ASN 104 Cb 0.70 0.49 -0.04 0.00 0.73 0.00 0.00 38.32 40.19 2ekc h ASN 104 CO 0.04 -0.26 0.44 -0.65 -1.29 0.00 0.00 177.43 175.71 2ekc h PRO 105 N 0.00 0.57 -0.30 6.67 0.11 -1.98 0.11 132.00 137.17 2ekc h PRO 105 Ca 0.38 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.43 2ekc h PRO 105 Cb 0.58 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 2ekc h PRO 105 CO -0.81 0.37 0.09 0.82 -0.21 0.00 0.00 178.00 178.26 2ekc h ILE 106 N 0.58 1.20 -0.47 4.15 2.04 -1.17 -0.94 117.51 122.90 2ekc h ILE 106 Ca 0.30 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 2ekc h ILE 106 Cb 0.40 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2ekc h ILE 106 CO -0.10 0.22 0.00 0.15 0.00 0.00 0.00 178.15 178.42 2ekc h PHE 107 N 0.32 0.89 -0.64 1.37 3.57 -1.05 0.15 116.94 121.55 2ekc h PHE 107 Ca 0.10 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2ekc h PHE 107 Cb 0.24 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2ekc h PHE 107 CO 0.01 0.86 0.32 -0.09 -2.23 0.00 0.00 178.31 177.17 2ekc h ARG 108 N 0.67 0.92 0.02 1.11 2.43 -0.70 -2.94 114.38 115.89 2ekc h ARG 108 Ca 0.13 -0.13 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2ekc h ARG 108 Cb 0.50 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2ekc h ARG 108 CO 0.02 0.72 -0.95 0.82 -1.51 0.00 0.00 179.97 179.07 2ekc h ILE 109 N 0.88 1.52 0.00 1.20 2.04 -1.09 -3.50 117.51 118.56 2ekc h ILE 109 Ca 0.22 -2.78 0.00 0.00 1.00 0.00 0.00 64.86 63.30 2ekc h ILE 109 Cb 0.10 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2ekc h ILE 109 CO -0.03 0.81 0.00 0.61 0.00 0.00 0.00 178.15 179.54 2ekc n GLY 110 N 1.04 2.69 0.38 5.37 0.00 0.51 -4.69 105.19 110.49 2ekc n GLY 110 Ca -0.04 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2ekc n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ekc h LEU 111 N 0.00 -1.33 0.08 0.99 4.07 -1.79 0.31 115.31 117.65 2ekc h LEU 111 Ca 0.00 0.21 0.02 0.00 0.08 0.00 0.00 57.88 58.19 2ekc h LEU 111 Cb 0.00 0.58 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 2ekc h LEU 111 CO 0.00 -0.36 -0.24 -0.33 -1.08 0.00 0.00 178.44 176.43 2ekc h GLU 112 N -0.32 -0.40 -0.38 1.13 4.39 -1.94 -1.12 114.58 115.94 2ekc h GLU 112 Ca 0.14 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.89 2ekc h GLU 112 Cb 0.58 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2ekc h GLU 112 CO -0.55 -0.27 0.21 -0.22 -1.16 0.00 0.00 179.01 177.03 2ekc h LYS 113 N -0.42 0.42 -0.28 2.33 3.64 -1.76 0.98 116.57 121.48 2ekc h LYS 113 Ca 0.04 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2ekc h LYS 113 Cb 0.46 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 2ekc h LYS 113 CO -0.16 0.28 -0.01 0.35 -2.27 0.00 0.00 179.45 177.64 2ekc h PHE 114 N 0.44 -0.04 -0.45 1.91 3.04 -0.14 0.24 116.94 121.94 2ekc h PHE 114 Ca 0.15 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.03 2ekc h PHE 114 Cb 0.02 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 2ekc h PHE 114 CO -0.08 -0.06 -0.10 0.00 -2.02 0.00 0.00 178.31 176.05 2ekc h ARG 116 N 0.69 -0.38 -0.51 0.00 2.43 -0.34 -1.49 114.38 114.79 2ekc h ARG 116 Ca 0.11 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2ekc h ARG 116 Cb 0.64 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2ekc h ARG 116 CO 0.04 -0.25 0.31 -0.07 -1.51 0.00 0.00 179.97 178.49 2ekc h LEU 117 N -0.39 0.61 -0.35 3.80 3.38 -0.94 -2.15 115.31 119.27 2ekc h LEU 117 Ca 0.03 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2ekc h LEU 117 Cb 0.41 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2ekc h LEU 117 CO -0.11 0.48 0.13 0.28 0.09 0.00 0.00 178.44 179.31 2ekc h SER 118 N 0.68 0.15 -0.69 -0.43 0.02 -1.07 -2.13 113.55 110.07 2ekc h SER 118 Ca 0.18 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2ekc h SER 118 Cb -0.01 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2ekc h SER 118 CO -0.03 0.12 0.29 -0.09 -1.14 0.00 0.00 176.83 175.98 2ekc h ARG 119 N 0.28 1.03 0.00 3.45 9.65 -1.14 -1.55 114.38 126.09 2ekc h ARG 119 Ca 0.15 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2ekc h ARG 119 Cb 0.12 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.52 2ekc h ARG 119 CO -0.15 0.84 -0.15 0.93 2.80 0.00 0.00 179.97 184.24 2ekc h GLU 120 N 0.98 0.00 -0.60 0.20 5.08 -1.01 -3.00 114.58 116.23 2ekc h GLU 120 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2ekc h GLU 120 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ekc h GLU 120 CO -0.02 0.15 0.00 1.63 -1.00 0.00 0.00 179.01 179.77 2ekc n LYS 121 N -3.76 4.33 -0.23 2.33 4.76 -0.84 -4.95 118.16 119.79 2ekc n LYS 121 Ca -0.02 -3.04 0.00 0.00 -2.87 0.00 0.00 58.31 52.38 2ekc n LYS 121 Cb 0.26 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 2ekc n LYS 121 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ekc n GLY 122 N 0.81 0.69 3.74 0.72 0.00 -1.13 -2.49 105.19 107.53 2ekc n GLY 122 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2ekc n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ekc s ILE 123 N -2.34 3.88 -0.15 -0.61 -1.09 -0.62 -4.59 121.20 115.69 2ekc s ILE 123 Ca 0.00 1.62 0.12 0.00 -2.23 0.00 0.00 60.65 60.16 2ekc s ILE 123 Cb 0.00 -4.03 -0.24 0.00 -1.58 0.00 0.00 42.46 36.61 2ekc s ILE 123 CO 0.00 0.27 0.24 0.47 -1.23 0.00 0.00 174.94 174.70 2ekc n ASP 124 N 2.41 0.68 -3.27 3.58 8.00 0.37 -4.48 116.55 123.85 2ekc n ASP 124 Ca 0.03 0.13 -0.04 0.00 0.71 0.00 0.00 54.79 55.62 2ekc n ASP 124 Cb 0.46 0.35 0.02 0.00 -0.02 0.00 0.00 41.12 41.93 2ekc n ASP 124 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2ekc s GLY 125 N -5.50 0.17 0.27 0.44 0.00 -1.10 -0.87 107.32 100.73 2ekc s GLY 125 Ca -0.12 -0.43 0.11 0.00 0.00 0.00 0.00 44.72 44.28 2ekc s GLY 125 CO 0.80 1.94 -0.19 -1.36 0.00 0.00 0.00 173.10 174.29 2ekc s PHE 126 N -2.18 2.21 -0.21 1.90 0.08 -0.92 -1.06 117.98 117.80 2ekc s PHE 126 Ca 0.21 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.87 2ekc s PHE 126 Cb -0.03 -0.96 0.06 0.00 -0.57 0.00 0.00 43.02 41.52 2ekc s PHE 126 CO 0.07 0.67 0.04 0.42 -0.10 0.00 0.00 175.22 176.31 2ekc s ILE 127 N -2.57 0.61 -0.47 0.64 1.01 -0.61 -3.49 121.20 116.31 2ekc s ILE 127 Ca 0.29 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 2ekc s ILE 127 Cb -0.04 -1.13 0.12 0.00 0.01 0.00 0.00 42.46 41.42 2ekc s ILE 127 CO 0.14 -0.25 0.29 -0.69 0.00 0.00 0.00 174.94 174.43 2ekc s VAL 128 N 1.81 3.65 0.53 2.92 1.01 -1.26 -2.49 120.40 126.58 2ekc s VAL 128 Ca -0.00 -2.14 0.22 0.00 0.00 0.00 0.00 61.98 60.06 2ekc s VAL 128 Cb -0.17 -3.45 0.30 0.00 0.00 0.00 0.00 36.38 33.06 2ekc s VAL 128 CO -0.10 -0.75 2.17 1.55 0.00 0.00 0.00 175.10 177.97 2ekc h PRO 129 N 7.99 0.00 -0.20 2.72 0.13 -1.96 -3.12 132.00 137.56 2ekc h PRO 129 Ca -0.13 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.85 2ekc h PRO 129 Cb 1.04 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.04 2ekc h PRO 129 CO 0.75 0.03 -0.60 -0.40 -0.23 0.00 0.00 178.00 177.55 2ekc n ASP 130 N -4.17 2.54 -4.62 1.44 5.75 -1.26 -5.01 116.55 111.22 2ekc n ASP 130 Ca -0.03 -3.81 -0.43 0.00 -0.01 0.00 0.00 54.79 50.51 2ekc n ASP 130 Cb 0.11 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 2ekc n ASP 130 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2ekc n LEU 131 N -0.97 3.59 -4.70 -2.12 7.94 -1.18 -4.70 117.00 114.86 2ekc n LEU 131 Ca 0.25 0.56 -0.42 0.00 -1.11 0.00 0.00 56.01 55.29 2ekc n LEU 131 Cb 0.77 -1.52 -0.03 0.00 0.53 0.00 0.00 43.42 43.18 2ekc n LEU 131 CO 0.08 -0.28 1.18 -2.84 -1.11 0.00 0.00 177.39 174.41 2ekc s PRO 132 N 5.41 4.26 0.49 1.96 0.02 -1.26 -4.88 135.00 141.00 2ekc s PRO 132 Ca 0.96 2.14 0.26 0.00 0.02 0.00 0.00 61.00 64.37 2ekc s PRO 132 Cb -0.43 -3.46 1.33 0.00 0.02 0.00 0.00 34.50 31.96 2ekc s PRO 132 CO 0.40 -0.59 1.89 -1.35 -0.33 0.00 0.00 177.00 177.02 2ekc h PRO 133 N 7.62 0.15 0.00 5.54 0.11 -2.01 0.15 132.00 143.56 2ekc h PRO 133 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2ekc h PRO 133 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2ekc h PRO 133 CO 0.90 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.94 2ekc n GLU 134 N -4.37 0.58 -0.00 1.05 0.00 -1.26 -2.91 120.64 113.73 2ekc n GLU 134 Ca 0.18 0.03 0.02 0.00 0.00 0.00 0.00 57.16 57.38 2ekc n GLU 134 Cb 0.83 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.75 2ekc n GLU 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2ekc n GLU 135 N -1.15 5.55 0.01 3.44 -0.58 0.49 -4.80 120.64 123.61 2ekc n GLU 135 Ca 0.16 -0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.80 2ekc n GLU 135 Cb 0.15 -0.69 -0.04 0.00 -0.57 0.00 0.00 31.44 30.29 2ekc n GLU 135 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ekc h ALA 136 N 0.52 -0.06 -0.85 0.62 0.00 -1.32 -2.40 119.26 115.76 2ekc h ALA 136 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2ekc h ALA 136 Cb 0.09 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2ekc h ALA 136 CO 0.00 -0.58 0.56 0.93 0.00 0.00 0.00 179.25 180.15 2ekc h GLU 137 N -0.16 1.07 -0.42 0.00 4.39 -1.87 0.50 114.58 118.08 2ekc h GLU 137 Ca 0.08 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2ekc h GLU 137 Cb 0.27 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2ekc h GLU 137 CO -0.19 0.70 0.04 1.49 -1.16 0.00 0.00 179.01 179.90 2ekc h GLU 138 N 1.10 0.71 -0.37 2.33 4.81 -1.87 -1.77 114.58 119.52 2ekc h GLU 138 Ca 0.33 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2ekc h GLU 138 Cb -0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2ekc h GLU 138 CO -0.10 0.77 0.09 1.25 -0.73 0.00 0.00 179.01 180.29 2ekc h LEU 139 N 0.56 0.56 -0.63 1.64 5.85 -1.03 -2.39 115.31 119.86 2ekc h LEU 139 Ca 0.12 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2ekc h LEU 139 Cb 0.42 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2ekc h LEU 139 CO 0.01 0.65 0.39 0.11 -0.34 0.00 0.00 178.44 179.26 2ekc h LYS 140 N 0.45 0.74 -0.47 1.25 1.57 -0.82 0.04 116.57 119.34 2ekc h LYS 140 Ca 0.12 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2ekc h LYS 140 Cb 0.30 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2ekc h LYS 140 CO 0.00 0.49 0.25 0.00 -0.57 0.00 0.00 179.45 179.62 2ekc h ALA 141 N 1.28 0.60 -0.38 3.86 0.00 -1.13 0.01 119.26 123.49 2ekc h ALA 141 Ca 0.26 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2ekc h ALA 141 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2ekc h ALA 141 CO -0.11 -0.09 -0.17 0.28 0.00 0.00 0.00 179.25 179.17 2ekc h VAL 142 N 0.50 1.28 -0.92 0.00 2.07 -1.02 -2.43 116.25 115.72 2ekc h VAL 142 Ca 0.20 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.46 2ekc h VAL 142 Cb 0.08 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2ekc h VAL 142 CO -0.13 0.43 0.61 0.24 0.02 0.00 0.00 177.57 178.74 2ekc h MET 143 N 0.59 1.16 -0.74 1.57 2.07 -0.65 -1.24 114.93 117.70 2ekc h MET 143 Ca 0.09 -0.07 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 2ekc h MET 143 Cb 0.71 -0.26 -0.03 0.00 -1.87 0.00 0.00 31.60 30.14 2ekc h MET 143 CO 0.05 0.77 0.41 -0.22 1.07 0.00 0.00 176.91 178.99 2ekc h LYS 144 N 1.20 1.02 -0.84 1.72 3.64 -0.80 0.14 116.57 122.66 2ekc h LYS 144 Ca 0.36 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2ekc h LYS 144 Cb -0.05 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.52 2ekc h LYS 144 CO -0.10 0.76 0.56 -0.22 -2.27 0.00 0.00 179.45 178.18 2ekc h LYS 145 N 1.02 1.10 -0.68 1.90 3.64 -0.76 -2.42 116.57 120.36 2ekc h LYS 145 Ca 0.26 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2ekc h LYS 145 Cb 0.02 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2ekc h LYS 145 CO -0.04 0.72 0.00 0.66 -2.27 0.00 0.00 179.45 178.52 2ekc n TYR 146 N -4.41 1.19 -3.71 1.91 4.01 -0.80 -4.96 117.16 110.38 2ekc n TYR 146 Ca 0.10 -0.52 -0.24 0.00 -0.16 0.00 0.00 57.90 57.08 2ekc n TYR 146 Cb 0.04 -0.12 0.03 0.00 -0.31 0.00 0.00 39.34 38.98 2ekc n TYR 146 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2ekc n VAL 147 N 1.33 -4.85 -4.16 -0.72 0.31 -0.33 -4.89 118.33 105.02 2ekc n VAL 147 Ca 0.24 -0.67 -0.34 0.00 -0.01 0.00 0.00 64.34 63.56 2ekc n VAL 147 Cb 0.73 -3.89 -0.14 0.00 -0.91 0.00 0.00 33.84 29.63 2ekc n VAL 147 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2ekc s LEU 148 N -6.59 2.85 0.07 7.52 1.43 -0.11 -4.92 118.68 118.93 2ekc s LEU 148 Ca 0.14 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 52.57 2ekc s LEU 148 Cb -0.04 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.39 2ekc s LEU 148 CO 0.83 0.04 1.61 -0.55 0.23 0.00 0.00 176.35 178.52 2ekc s SER 149 N 1.11 6.63 -0.18 2.29 0.15 -0.05 -4.45 113.70 119.21 2ekc s SER 149 Ca 0.01 2.45 -0.21 0.00 0.70 0.00 0.00 55.95 58.90 2ekc s SER 149 Cb -0.15 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 2ekc s SER 149 CO -0.01 -0.86 0.65 0.12 1.20 0.00 0.00 173.24 174.34 2ekc s PHE 150 N 2.47 3.40 -0.40 3.44 5.36 -1.26 -2.17 117.98 128.81 2ekc s PHE 150 Ca 0.72 0.99 -0.02 0.00 -0.96 0.00 0.00 56.93 57.66 2ekc s PHE 150 Cb -0.39 -2.82 0.11 0.00 -0.34 0.00 0.00 43.02 39.58 2ekc s PHE 150 CO 0.31 -0.15 0.19 0.08 -1.46 0.00 0.00 175.22 174.20 2ekc s VAL 151 N 1.81 3.21 0.66 3.12 1.01 -1.23 -2.70 120.40 126.28 2ekc s VAL 151 Ca 0.30 -2.09 -0.15 0.00 0.00 0.00 0.00 61.98 60.05 2ekc s VAL 151 Cb -0.16 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 2ekc s VAL 151 CO 0.11 -0.69 1.10 -2.16 0.00 0.00 0.00 175.10 173.47 2ekc s PRO 152 N 1.11 2.82 -0.11 2.72 0.04 -1.26 -4.69 135.00 135.64 2ekc s PRO 152 Ca 0.09 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 2ekc s PRO 152 Cb -0.22 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2ekc s PRO 152 CO -0.05 -1.23 -0.03 -0.51 0.04 0.00 0.00 177.00 175.23 2ekc s LEU 153 N -4.90 3.35 0.44 -3.56 1.02 -1.26 -2.02 118.68 111.76 2ekc s LEU 153 Ca 0.66 0.00 0.05 0.00 0.02 0.00 0.00 54.13 54.87 2ekc s LEU 153 Cb -0.20 -1.77 -0.06 0.00 0.02 0.00 0.00 46.19 44.18 2ekc s LEU 153 CO 0.42 0.30 0.03 -0.83 0.02 0.00 0.00 176.35 176.29 2ekc s GLY 154 N -0.41 2.63 0.13 -3.19 0.00 0.12 -4.98 107.32 101.63 2ekc s GLY 154 Ca 0.07 -1.76 -0.02 0.00 0.00 0.00 0.00 44.72 43.00 2ekc s GLY 154 CO 0.02 -2.11 0.09 0.00 0.00 0.00 0.00 173.10 171.10 2ekc s ALA 155 N -2.75 0.70 0.12 3.20 0.00 -1.26 -2.22 121.76 119.56 2ekc s ALA 155 Ca 0.28 -1.36 0.32 0.00 0.00 0.00 0.00 51.96 51.19 2ekc s ALA 155 Cb 0.07 0.84 1.64 0.00 0.00 0.00 0.00 23.12 25.68 2ekc s ALA 155 CO 0.14 -0.51 1.97 -1.35 0.00 0.00 0.00 175.76 176.02 2ekc h PRO 156 N 2.82 0.00 -0.47 0.00 0.11 -1.81 -1.75 132.00 130.91 2ekc h PRO 156 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2ekc h PRO 156 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ekc h PRO 156 CO 0.57 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.61 2ekc n THR 157 N -2.66 1.24 -1.81 -1.15 -2.24 -1.26 -4.80 114.28 101.59 2ekc n THR 157 Ca -0.01 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.24 2ekc n THR 157 Cb 0.11 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 2ekc n THR 157 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2ekc s SER 158 N -1.08 6.44 0.83 3.42 0.01 -0.66 -4.98 113.70 117.68 2ekc s SER 158 Ca 0.35 2.84 -0.11 0.00 1.31 0.00 0.00 55.95 60.34 2ekc s SER 158 Cb 0.20 -2.62 0.09 0.00 0.21 0.00 0.00 66.02 63.91 2ekc s SER 158 CO 0.20 -0.89 1.09 0.42 0.41 0.00 0.00 173.24 174.48 2ekc s THR 159 N 0.53 2.93 0.26 1.44 -4.23 -1.26 -4.81 115.64 110.49 2ekc s THR 159 Ca 0.67 0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 61.44 2ekc s THR 159 Cb -0.47 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.64 2ekc s THR 159 CO 0.40 -0.39 1.87 0.03 -0.54 0.00 0.00 174.62 175.99 2ekc h ARG 160 N -1.26 1.14 -0.60 3.99 3.08 -1.99 -0.34 114.38 118.39 2ekc h ARG 160 Ca -0.48 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.35 2ekc h ARG 160 Cb 1.27 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 2ekc h ARG 160 CO 0.57 0.84 0.04 0.87 -1.07 0.00 0.00 179.97 181.23 2ekc h LYS 161 N 1.14 1.03 -0.69 0.04 1.57 -2.00 -2.44 116.57 115.22 2ekc h LYS 161 Ca 0.29 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2ekc h LYS 161 Cb 0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2ekc h LYS 161 CO -0.04 0.98 0.13 -0.09 -0.57 0.00 0.00 179.45 179.86 2ekc h ARG 162 N 0.95 1.13 -0.82 3.15 9.65 -1.74 -2.46 114.38 124.24 2ekc h ARG 162 Ca 0.18 -0.29 0.04 0.00 -1.10 0.00 0.00 59.98 58.80 2ekc h ARG 162 Cb 0.49 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.89 2ekc h ARG 162 CO 0.02 1.01 0.52 0.82 2.80 0.00 0.00 179.97 185.15 2ekc h ILE 163 N 1.06 1.12 -0.24 1.20 2.04 -0.76 0.79 117.51 122.71 2ekc h ILE 163 Ca 0.21 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 2ekc h ILE 163 Cb 0.42 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2ekc h ILE 163 CO 0.01 0.19 -0.25 0.50 0.00 0.00 0.00 178.15 178.60 2ekc h LYS 164 N 1.01 0.45 -0.09 2.37 3.64 -1.16 -1.27 116.57 121.52 2ekc h LYS 164 Ca 0.33 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 2ekc h LYS 164 Cb 0.03 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2ekc h LYS 164 CO -0.12 0.67 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.11 2ekc h LEU 165 N 0.40 0.29 -0.19 5.20 3.38 -0.87 -2.52 115.31 121.00 2ekc h LEU 165 Ca 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2ekc h LEU 165 Cb 0.65 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2ekc h LEU 165 CO 0.05 0.78 -0.00 0.40 0.09 0.00 0.00 178.44 179.75 2ekc h ILE 166 N 0.20 1.26 -0.36 1.22 2.04 -0.41 -1.88 117.51 119.58 2ekc h ILE 166 Ca 0.00 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.00 2ekc h ILE 166 Cb 1.02 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2ekc h ILE 166 CO 0.09 0.26 0.22 0.00 0.00 0.00 0.00 178.15 178.72 2ekc h GLU 168 N 0.45 0.00 0.00 0.00 4.11 -1.45 -2.84 114.58 114.85 2ekc h GLU 168 Ca 0.14 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.46 2ekc h GLU 168 Cb -0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2ekc h GLU 168 CO -0.05 0.01 -0.93 0.00 0.07 0.00 0.00 179.01 178.11 2ekc h ALA 169 N 1.99 0.66 -2.52 1.06 0.00 -0.52 -3.46 119.26 116.47 2ekc h ALA 169 Ca -0.00 -0.51 -0.53 0.00 0.00 0.00 0.00 54.91 53.87 2ekc h ALA 169 Cb 0.54 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2ekc h ALA 169 CO 0.00 0.59 0.32 0.00 0.00 0.00 0.00 179.25 180.17 2ekc s ALA 170 N -3.03 3.23 -0.05 0.00 0.00 -0.33 -4.75 121.76 116.82 2ekc s ALA 170 Ca 0.01 0.49 -0.19 0.00 0.00 0.00 0.00 51.96 52.27 2ekc s ALA 170 Cb 0.08 -3.25 -0.31 0.00 0.00 0.00 0.00 23.12 19.64 2ekc s ALA 170 CO 0.77 -0.11 0.80 -0.44 0.00 0.00 0.00 175.76 176.79 2ekc h ASP 171 N 6.20 0.52 0.00 0.00 3.32 -1.81 -3.44 116.42 121.21 2ekc h ASP 171 Ca -0.42 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 55.71 2ekc h ASP 171 Cb 1.21 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2ekc h ASP 171 CO 0.73 1.54 -0.09 -0.62 -1.72 0.00 0.00 179.24 179.08 2ekc n GLU 172 N -3.97 4.45 -3.69 3.56 1.02 -1.26 -4.70 120.64 116.05 2ekc n GLU 172 Ca -0.18 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.87 2ekc n GLU 172 Cb 0.91 -0.54 -0.02 0.00 -0.02 0.00 0.00 31.44 31.76 2ekc n GLU 172 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ekc s MET 173 N -0.36 1.57 0.15 3.49 0.23 -1.26 -4.01 119.30 119.11 2ekc s MET 173 Ca 0.00 -0.79 0.05 0.00 -1.03 0.00 0.00 55.69 53.92 2ekc s MET 173 Cb 0.00 0.60 -0.04 0.00 -1.53 0.00 0.00 34.83 33.85 2ekc s MET 173 CO 0.00 -0.71 -0.11 0.95 -2.03 0.00 0.00 175.02 173.12 2ekc s THR 174 N -3.86 1.26 -0.09 3.16 -4.23 -0.64 -4.25 115.64 106.99 2ekc s THR 174 Ca 0.07 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 2ekc s THR 174 Cb -0.04 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 72.03 2ekc s THR 174 CO -0.01 -0.66 -0.10 -0.47 -0.54 0.00 0.00 174.62 172.84 2ekc s TYR 175 N -3.02 1.49 0.02 3.99 5.04 -0.85 -1.44 117.35 122.56 2ekc s TYR 175 Ca 0.15 -0.67 0.06 0.00 -2.44 0.00 0.00 57.07 54.18 2ekc s TYR 175 Cb 0.00 -1.17 -0.03 0.00 0.35 0.00 0.00 41.96 41.12 2ekc s TYR 175 CO 0.02 -0.41 -0.18 -0.06 -1.34 0.00 0.00 175.55 173.57 2ekc s PHE 176 N 1.24 2.57 0.22 4.97 0.40 -0.57 0.13 117.98 126.95 2ekc s PHE 176 Ca -0.04 -0.25 -0.16 0.00 -0.60 0.00 0.00 56.93 55.88 2ekc s PHE 176 Cb -0.14 -1.50 -0.08 0.00 0.51 0.00 0.00 43.02 41.81 2ekc s PHE 176 CO -0.03 0.22 0.66 0.14 0.70 0.00 0.00 175.22 176.90 2ekc s VAL 177 N -0.86 4.72 -0.64 -0.44 -7.23 -0.94 -2.08 120.40 112.92 2ekc s VAL 177 Ca 0.14 0.99 0.25 0.00 -1.81 0.00 0.00 61.98 61.54 2ekc s VAL 177 Cb -0.10 -3.74 0.24 0.00 0.56 0.00 0.00 36.38 33.34 2ekc s VAL 177 CO 0.04 0.10 1.63 0.77 -0.31 0.00 0.00 175.10 177.33 2ekc h SER 178 N 3.10 0.00 -2.61 4.85 4.64 -1.55 -3.34 113.55 118.65 2ekc h SER 178 Ca -0.48 -0.04 -0.63 0.00 -0.47 0.00 0.00 61.79 60.17 2ekc h SER 178 Cb 1.19 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.12 2ekc h SER 178 CO 0.66 0.02 -0.78 0.54 -0.87 0.00 0.00 176.83 176.40 2ekc s VAL 179 N -3.14 2.46 -1.74 0.95 0.11 -1.26 -4.50 120.40 113.28 2ekc s VAL 179 Ca 0.09 -2.24 0.00 0.00 -2.93 0.00 0.00 61.98 56.90 2ekc s VAL 179 Cb 0.11 -2.25 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 2ekc s VAL 179 CO 0.64 -0.28 0.38 0.35 -3.33 0.00 0.00 175.10 172.86 2ekc n THR 180 N -0.27 0.00 -2.66 5.04 -2.24 -1.26 -4.57 114.28 108.32 2ekc n THR 180 Ca -0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 2ekc n THR 180 Cb 0.58 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2ekc n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ekc n GLY 181 N 0.03 -0.50 0.00 3.38 0.00 -1.26 -5.04 105.19 101.80 2ekc n GLY 181 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2ekc n GLY 181 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ekc n TYR 191 N -3.55 0.00 -0.19 1.61 4.02 -1.26 -5.28 117.16 112.50 2ekc n TYR 191 Ca -0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.70 2ekc n TYR 191 Cb 0.60 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.98 2ekc n TYR 191 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2ekc h GLU 192 N 0.08 1.02 -0.13 -0.72 4.57 -1.99 -2.10 114.58 115.32 2ekc h GLU 192 Ca 0.00 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 2ekc h GLU 192 Cb 0.00 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2ekc h GLU 192 CO 0.00 0.98 -0.03 -0.09 -1.18 0.00 0.00 179.01 178.69 2ekc h ARG 193 N 0.94 0.26 -0.03 1.92 2.43 -1.97 -1.89 114.38 116.03 2ekc h ARG 193 Ca 0.18 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 2ekc h ARG 193 Cb 0.50 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2ekc h ARG 193 CO 0.02 0.55 -0.64 0.97 -1.51 0.00 0.00 179.97 179.37 2ekc h ILE 194 N -0.05 1.42 -0.24 1.20 6.09 -1.79 -2.41 117.51 121.74 2ekc h ILE 194 Ca 0.03 -2.11 -0.01 0.00 -1.37 0.00 0.00 64.86 61.40 2ekc h ILE 194 Cb 0.46 2.11 -0.01 0.00 0.47 0.00 0.00 36.82 39.85 2ekc h ILE 194 CO 0.01 0.61 0.12 0.50 -3.07 0.00 0.00 178.15 176.32 2ekc h LYS 195 N 0.10 0.34 -0.47 2.19 3.64 -1.34 -0.20 116.57 120.81 2ekc h LYS 195 Ca -0.01 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2ekc h LYS 195 Cb 1.15 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 2ekc h LYS 195 CO 0.09 0.34 0.06 0.87 -2.27 0.00 0.00 179.45 178.54 2ekc h LYS 196 N 0.25 0.75 -0.63 1.90 1.79 -1.28 -1.81 116.57 117.53 2ekc h LYS 196 Ca 0.08 -0.17 -0.09 0.00 -2.18 0.00 0.00 60.65 58.29 2ekc h LYS 196 Cb 0.11 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 2ekc h LYS 196 CO -0.01 0.72 0.05 -0.22 -1.08 0.00 0.00 179.45 178.91 2ekc h LYS 197 N 0.71 1.09 -0.47 3.15 1.63 -1.03 -2.36 116.57 119.28 2ekc h LYS 197 Ca 0.15 -0.32 -0.08 0.00 -0.85 0.00 0.00 60.65 59.55 2ekc h LYS 197 Cb 0.35 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2ekc h LYS 197 CO 0.01 1.03 -0.02 0.28 -3.45 0.00 0.00 179.45 177.30 2ekc h VAL 198 N 1.00 1.25 -0.88 2.00 2.07 -0.64 -0.47 116.25 120.57 2ekc h VAL 198 Ca 0.19 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2ekc h VAL 198 Cb 0.51 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2ekc h VAL 198 CO 0.02 0.36 0.51 -0.33 0.02 0.00 0.00 177.57 178.15 2ekc h GLU 199 N 0.73 1.21 -0.28 1.57 5.08 -1.03 0.36 114.58 122.23 2ekc h GLU 199 Ca 0.14 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2ekc h GLU 199 Cb 0.48 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2ekc h GLU 199 CO 0.02 0.87 0.13 0.93 -1.00 0.00 0.00 179.01 179.97 2ekc h GLU 200 N 1.22 0.41 -0.72 2.33 5.08 -0.90 -2.42 114.58 119.57 2ekc h GLU 200 Ca 0.31 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.72 2ekc h GLU 200 Cb -0.01 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.09 2ekc h GLU 200 CO -0.05 0.40 0.35 -0.92 -1.00 0.00 0.00 179.01 177.78 2ekc h TYR 201 N 0.32 0.61 -0.79 4.33 3.20 0.02 -0.19 116.97 124.46 2ekc h TYR 201 Ca 0.10 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.07 2ekc h TYR 201 Cb 0.13 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 2ekc h TYR 201 CO -0.02 0.19 0.52 0.00 -1.64 0.00 0.00 178.16 177.21 2ekc h ARG 202 N 0.57 0.79 -0.17 1.82 2.47 0.14 0.81 114.38 120.80 2ekc h ARG 202 Ca 0.37 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.98 2ekc h ARG 202 Cb 0.43 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 2ekc h ARG 202 CO -0.30 0.52 -0.16 0.93 0.56 0.00 0.00 179.97 181.53 2ekc h GLU 203 N 0.81 0.29 0.00 0.04 5.08 -0.66 -3.25 114.58 116.88 2ekc h GLU 203 Ca 0.35 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2ekc h GLU 203 Cb 0.32 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2ekc h GLU 203 CO -0.13 0.44 -0.72 1.28 -1.00 0.00 0.00 179.01 178.88 2ekc n LEU 204 N -4.24 0.52 -3.84 1.33 4.77 -0.32 -5.02 117.00 110.21 2ekc n LEU 204 Ca -0.00 -0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 55.42 2ekc n LEU 204 Cb 0.30 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 2ekc n LEU 204 CO 0.39 0.13 -0.25 0.00 -1.33 0.00 0.00 177.39 176.33 2ekc n ASP 206 N 2.99 1.69 -4.76 0.00 8.00 -1.26 -4.34 116.55 118.87 2ekc n ASP 206 Ca -0.13 -1.35 -0.39 0.00 0.71 0.00 0.00 54.79 53.64 2ekc n ASP 206 Cb 0.59 0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 42.21 2ekc n ASP 206 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ekc s LYS 207 N -2.31 4.60 0.62 -1.24 1.02 -1.26 -4.99 119.74 116.17 2ekc s LYS 207 Ca 0.15 1.63 -0.18 0.00 0.02 0.00 0.00 55.97 57.58 2ekc s LYS 207 Cb 0.16 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 2ekc s LYS 207 CO 0.54 0.23 0.97 -0.35 -0.92 0.00 0.00 175.35 175.82 2ekc n PRO 208 N 0.98 0.86 -4.28 -1.68 -0.04 -1.26 -4.79 135.00 124.78 2ekc n PRO 208 Ca 0.00 0.34 -0.20 0.00 -0.04 0.00 0.00 63.50 63.60 2ekc n PRO 208 Cb 0.47 -2.18 -0.16 0.00 -0.04 0.00 0.00 33.50 31.59 2ekc n PRO 208 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ekc s VAL 209 N -1.53 0.65 0.04 0.52 0.11 -1.26 -1.61 120.40 117.32 2ekc s VAL 209 Ca 0.77 -0.25 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 2ekc s VAL 209 Cb -0.41 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2ekc s VAL 209 CO 0.46 0.22 -0.09 0.68 -3.33 0.00 0.00 175.10 173.05 2ekc s VAL 210 N 0.45 3.48 -0.07 2.04 -7.23 -0.52 -0.92 120.40 117.63 2ekc s VAL 210 Ca -0.07 -0.98 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 2ekc s VAL 210 Cb -0.10 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2ekc s VAL 210 CO 0.00 0.29 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.15 2ekc s VAL 211 N -1.07 2.03 0.28 1.32 1.01 -0.53 -1.51 120.40 121.94 2ekc s VAL 211 Ca 0.18 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2ekc s VAL 211 Cb -0.11 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2ekc s VAL 211 CO 0.10 0.56 0.07 0.61 0.00 0.00 0.00 175.10 176.44 2ekc n GLY 212 N 3.13 3.61 0.54 4.51 0.00 -0.88 -1.46 105.19 114.64 2ekc n GLY 212 Ca -0.18 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2ekc n GLY 212 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ekc n PHE 213 N -0.66 -0.35 -0.99 1.61 7.35 -1.26 -1.57 117.46 121.60 2ekc n PHE 213 Ca -0.06 0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 2ekc n PHE 213 Cb 0.40 -2.05 0.00 0.00 0.35 0.00 0.00 39.48 38.18 2ekc n PHE 213 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ekc n GLY 214 N 0.05 0.51 3.47 7.13 0.00 -1.26 -4.62 105.19 110.47 2ekc n GLY 214 Ca 0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 2ekc n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ekc s VAL 215 N -2.00 4.12 0.00 1.61 1.01 -1.26 -4.88 120.40 119.00 2ekc s VAL 215 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2ekc s VAL 215 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2ekc s VAL 215 CO 0.00 0.41 0.00 -1.54 0.00 0.00 0.00 175.10 173.97 2ekc n SER 216 N 4.30 0.00 -4.09 3.32 3.41 -1.26 -4.61 113.62 114.70 2ekc n SER 216 Ca -0.17 -0.96 -0.14 0.00 -0.26 0.00 0.00 58.87 57.34 2ekc n SER 216 Cb 0.52 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 2ekc n SER 216 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ekc s LYS 217 N 0.00 0.60 0.31 4.33 1.02 -1.26 -5.03 119.74 119.70 2ekc s LYS 217 Ca 0.00 -0.81 0.06 0.00 0.02 0.00 0.00 55.97 55.24 2ekc s LYS 217 Cb 0.00 -0.42 0.74 0.00 -0.52 0.00 0.00 37.83 37.63 2ekc s LYS 217 CO 0.00 0.08 1.80 -0.22 -0.92 0.00 0.00 175.35 176.09 2ekc h LYS 218 N 4.44 0.76 -0.88 1.68 3.64 -1.91 0.12 116.57 124.41 2ekc h LYS 218 Ca -0.37 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 2ekc h LYS 218 Cb 1.20 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 2ekc h LYS 218 CO 0.41 0.50 0.58 0.93 -2.27 0.00 0.00 179.45 179.60 2ekc h GLU 219 N 0.78 1.09 -0.30 1.90 3.07 -1.96 -0.93 114.58 118.23 2ekc h GLU 219 Ca 0.55 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.32 2ekc h GLU 219 Cb 0.84 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2ekc h GLU 219 CO -0.34 0.72 0.09 0.45 -1.40 0.00 0.00 179.01 178.53 2ekc h HIS 220 N 1.12 0.48 -0.23 4.33 3.86 -1.16 -0.99 115.15 122.56 2ekc h HIS 220 Ca 0.35 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2ekc h HIS 220 Cb -0.01 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2ekc h HIS 220 CO -0.00 0.50 0.16 0.00 0.86 0.00 0.00 177.93 179.45 2ekc h ALA 221 N 0.92 0.30 -0.28 2.45 0.00 -0.98 -0.28 119.26 121.40 2ekc h ALA 221 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2ekc h ALA 221 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2ekc h ALA 221 CO -0.00 -0.23 0.13 -0.09 0.00 0.00 0.00 179.25 179.06 2ekc h ARG 222 N 0.32 0.27 0.09 0.00 9.65 -1.07 0.45 114.38 124.08 2ekc h ARG 222 Ca 0.09 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2ekc h ARG 222 Cb -0.04 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2ekc h ARG 222 CO -0.02 0.18 -0.04 0.93 2.80 0.00 0.00 179.97 183.81 2ekc h GLU 223 N 0.27 -0.11 -0.44 0.20 5.08 -0.94 -2.02 114.58 116.61 2ekc h GLU 223 Ca 0.12 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2ekc h GLU 223 Cb 0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2ekc h GLU 223 CO -0.09 0.08 -0.18 0.82 -1.00 0.00 0.00 179.01 178.64 2ekc h ILE 224 N -0.29 1.27 0.00 3.13 2.04 -1.00 -2.66 117.51 120.01 2ekc h ILE 224 Ca -0.01 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.52 2ekc h ILE 224 Cb 0.25 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2ekc h ILE 224 CO 0.02 0.45 0.00 1.23 0.00 0.00 0.00 178.15 179.85 2ekc h GLY 225 N 0.74 0.00 2.00 5.37 0.00 -0.07 -0.31 103.07 110.80 2ekc h GLY 225 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2ekc h GLY 225 CO 0.06 0.00 -0.11 1.48 0.00 0.00 0.00 176.54 177.97 2ekc h SER 226 N 0.00 0.00 0.00 0.19 4.64 -0.98 -3.33 113.55 114.07 2ekc h SER 226 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ekc h SER 226 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2ekc h SER 226 CO 0.00 0.11 -0.23 2.22 -0.87 0.00 0.00 176.83 178.06 2ekc n PHE 227 N -3.27 0.00 -3.80 4.77 1.16 -0.66 -5.07 117.46 110.58 2ekc n PHE 227 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.36 2ekc n PHE 227 Cb 0.35 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.18 2ekc n PHE 227 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2ekc s ALA 228 N -0.88 3.84 -1.59 1.98 0.00 -0.22 -4.96 121.76 119.93 2ekc s ALA 228 Ca 0.00 -1.82 0.27 0.00 0.00 0.00 0.00 51.96 50.41 2ekc s ALA 228 Cb 0.00 -0.95 0.85 0.00 0.00 0.00 0.00 23.12 23.02 2ekc s ALA 228 CO 0.00 -0.09 1.63 -0.25 0.00 0.00 0.00 175.76 177.05 2ekc n ASP 229 N -1.38 0.77 -3.61 0.00 8.00 -0.10 -4.64 116.55 115.59 2ekc n ASP 229 Ca 0.00 -0.66 -0.00 0.00 0.71 0.00 0.00 54.79 54.83 2ekc n ASP 229 Cb 0.61 0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.78 2ekc n ASP 229 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2ekc s GLY 230 N -2.59 -0.36 0.05 0.44 0.00 -1.18 -0.92 107.32 102.76 2ekc s GLY 230 Ca 0.23 1.16 0.06 0.00 0.00 0.00 0.00 44.72 46.17 2ekc s GLY 230 CO 0.54 0.32 -0.16 -1.34 0.00 0.00 0.00 173.10 172.45 2ekc s VAL 231 N -2.32 1.28 -0.17 1.40 -7.23 -0.32 -1.45 120.40 111.59 2ekc s VAL 231 Ca 0.12 -1.11 -0.05 0.00 -1.81 0.00 0.00 61.98 59.14 2ekc s VAL 231 Cb 0.03 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 2ekc s VAL 231 CO -0.04 0.03 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.07 2ekc s VAL 232 N -0.90 4.05 -0.08 1.32 1.01 -0.53 -0.56 120.40 124.71 2ekc s VAL 232 Ca 0.03 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2ekc s VAL 232 Cb -0.08 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2ekc s VAL 232 CO 0.02 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 2ekc s VAL 233 N 0.54 1.70 0.07 2.92 1.01 -0.03 -4.09 120.40 122.53 2ekc s VAL 233 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2ekc s VAL 233 Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2ekc s VAL 233 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2ekc n GLY 234 N 3.53 -0.22 0.28 4.51 0.00 -1.26 -0.93 105.19 111.10 2ekc n GLY 234 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.88 2ekc n GLY 234 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ekc h SER 235 N 0.00 0.30 -0.60 1.61 4.64 -1.89 -0.18 113.55 117.42 2ekc h SER 235 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2ekc h SER 235 Cb 0.00 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 2ekc h SER 235 CO 0.00 0.10 0.39 0.00 -0.87 0.00 0.00 176.83 176.46 2ekc h ALA 236 N 1.56 1.55 -0.07 5.18 0.00 -1.92 -1.17 119.26 124.40 2ekc h ALA 236 Ca 0.43 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 2ekc h ALA 236 Cb 0.66 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2ekc h ALA 236 CO -0.41 0.41 -0.48 -0.07 0.00 0.00 0.00 179.25 178.70 2ekc h LEU 237 N 0.83 0.54 -0.89 0.00 3.38 -1.42 -3.25 115.31 114.50 2ekc h LEU 237 Ca 0.22 -0.68 0.04 0.00 0.09 0.00 0.00 57.88 57.56 2ekc h LEU 237 Cb -0.08 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2ekc h LEU 237 CO -0.05 1.13 0.57 0.58 0.09 0.00 0.00 178.44 180.77 2ekc h VAL 238 N -0.01 1.13 -0.30 1.22 2.07 -0.73 -1.71 116.25 117.91 2ekc h VAL 238 Ca -0.04 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.16 2ekc h VAL 238 Cb 1.15 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2ekc h VAL 238 CO 0.10 0.20 -0.01 0.50 0.02 0.00 0.00 177.57 178.38 2ekc h LYS 239 N 1.10 0.07 -0.65 1.57 3.64 -1.29 -0.11 116.57 120.90 2ekc h LYS 239 Ca 0.36 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 2ekc h LYS 239 Cb 0.04 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2ekc h LYS 239 CO -0.13 0.05 0.12 -0.07 -2.27 0.00 0.00 179.45 177.15 2ekc h LEU 240 N 0.07 1.03 -1.47 5.20 3.38 -1.50 -2.47 115.31 119.54 2ekc h LEU 240 Ca 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2ekc h LEU 240 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2ekc h LEU 240 CO -0.25 1.02 0.20 0.00 0.09 0.00 0.00 178.44 179.49 2ekc h ALA 241 N 1.05 1.59 -0.27 1.53 0.00 -0.70 -1.31 119.26 121.15 2ekc h ALA 241 Ca 0.20 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2ekc h ALA 241 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2ekc h ALA 241 CO 0.01 0.33 0.19 0.78 0.00 0.00 0.00 179.25 180.56 2ekc h GLY 242 N 0.66 0.11 -2.46 0.00 0.00 -0.54 -0.30 103.07 100.53 2ekc h GLY 242 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2ekc h GLY 242 CO -0.02 0.03 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 2ekc n GLN 243 N -4.47 3.50 -2.84 4.80 6.02 -0.94 -4.83 117.38 118.61 2ekc n GLN 243 Ca 0.03 -2.75 -0.20 0.00 -0.01 0.00 0.00 57.00 54.07 2ekc n GLN 243 Cb 0.29 -1.80 0.01 0.00 1.02 0.00 0.00 30.24 29.76 2ekc n GLN 243 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2ekc n LYS 244 N 0.63 -3.35 -2.28 -1.09 5.02 -0.12 -4.86 118.16 112.10 2ekc n LYS 244 Ca 0.22 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.86 2ekc n LYS 244 Cb 0.83 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 2ekc n LYS 244 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ekc n LYS 245 N -3.50 3.67 -0.24 1.97 5.02 -0.54 -4.77 118.16 119.77 2ekc n LYS 245 Ca -0.13 -3.48 -0.07 0.00 -2.02 0.00 0.00 58.31 52.61 2ekc n LYS 245 Cb 0.62 -2.91 0.04 0.00 -0.02 0.00 0.00 35.03 32.75 2ekc n LYS 245 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2ekc h ILE 246 N 3.66 1.23 -0.59 -0.18 1.08 -1.89 -1.70 117.51 119.12 2ekc h ILE 246 Ca 0.42 -0.70 -0.07 0.00 -0.39 0.00 0.00 64.86 64.12 2ekc h ILE 246 Cb 0.60 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 2ekc h ILE 246 CO 1.63 0.28 0.09 -0.08 -0.69 0.00 0.00 178.15 179.39 2ekc h GLU 247 N 0.94 0.98 -0.10 2.37 4.81 -1.99 -1.64 114.58 119.95 2ekc h GLU 247 Ca 0.23 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 2ekc h GLU 247 Cb 0.17 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2ekc h GLU 247 CO -0.02 0.93 -0.35 -0.44 -0.73 0.00 0.00 179.01 178.40 2ekc h ASP 248 N 0.88 0.21 -0.22 1.04 3.32 -1.93 -1.88 116.42 117.85 2ekc h ASP 248 Ca 0.18 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 2ekc h ASP 248 Cb 0.43 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2ekc h ASP 248 CO 0.01 0.55 0.03 0.25 -1.72 0.00 0.00 179.24 178.37 2ekc h LEU 249 N 0.18 0.36 -1.04 1.55 5.85 -0.91 -1.04 115.31 120.25 2ekc h LEU 249 Ca 0.02 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2ekc h LEU 249 Cb 0.71 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2ekc h LEU 249 CO 0.05 0.53 0.25 1.23 -0.34 0.00 0.00 178.44 180.17 2ekc h GLY 250 N 0.17 1.00 1.04 3.75 0.00 -1.12 -1.75 103.07 106.15 2ekc h GLY 250 Ca 0.07 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 2ekc h GLY 250 CO 0.01 0.49 0.17 3.43 0.00 0.00 0.00 176.54 180.64 2ekc h ASN 251 N 0.92 1.01 -0.53 0.19 2.35 -1.12 -1.54 115.58 116.86 2ekc h ASN 251 Ca 0.22 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2ekc h ASN 251 Cb 0.18 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2ekc h ASN 251 CO -0.02 0.97 0.10 0.25 -1.65 0.00 0.00 177.43 177.08 2ekc h LEU 252 N 0.99 0.83 -0.82 1.61 5.85 -0.75 -1.45 115.31 121.57 2ekc h LEU 252 Ca 0.21 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2ekc h LEU 252 Cb 0.35 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2ekc h LEU 252 CO 0.00 0.87 0.12 0.58 -0.34 0.00 0.00 178.44 179.67 2ekc h VAL 253 N 0.76 1.25 -0.60 1.05 2.07 -1.17 -0.38 116.25 119.23 2ekc h VAL 253 Ca 0.16 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2ekc h VAL 253 Cb 0.39 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2ekc h VAL 253 CO 0.01 0.36 0.21 0.50 0.02 0.00 0.00 177.57 178.67 2ekc h LYS 254 N 0.95 0.92 -0.35 1.57 3.64 -1.04 -1.61 116.57 120.65 2ekc h LYS 254 Ca 0.20 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2ekc h LYS 254 Cb 0.39 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2ekc h LYS 254 CO 0.01 0.81 -0.12 1.49 -2.27 0.00 0.00 179.45 179.37 2ekc h GLU 255 N 0.85 0.69 -0.53 1.90 4.81 -0.93 -2.41 114.58 118.96 2ekc h GLU 255 Ca 0.20 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2ekc h GLU 255 Cb 0.25 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2ekc h GLU 255 CO -0.01 0.87 0.35 -0.07 -0.73 0.00 0.00 179.01 179.42 2ekc h LEU 256 N 0.48 0.61 -2.10 1.64 3.38 -0.95 -1.32 115.31 117.04 2ekc h LEU 256 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2ekc h LEU 256 Cb 0.63 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2ekc h LEU 256 CO 0.04 0.45 -0.08 0.50 0.09 0.00 0.00 178.44 179.44 2ekc h LYS 257 N 0.72 0.00 -0.51 1.13 1.63 -1.22 -1.59 116.57 116.72 2ekc h LYS 257 Ca 0.19 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.92 2ekc h LYS 257 Cb -0.08 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2ekc h LYS 257 CO -0.04 0.08 0.00 0.93 -3.45 0.00 0.00 179.45 176.97 2ekc h GLU 258 N 0.00 0.85 0.00 1.90 5.08 -0.72 -2.05 114.58 119.64 2ekc h GLU 258 Ca -0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2ekc h GLU 258 Cb 0.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2ekc h GLU 258 CO 0.01 0.85 0.00 0.41 -1.00 0.00 0.00 179.01 179.28 2ekc n GLY 259 N -0.60 -0.93 0.55 -3.84 0.00 -0.60 -3.24 105.19 96.52 2ekc n GLY 259 Ca 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.02 2ekc n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ekc n LEU 260 N -0.75 3.02 -4.53 0.99 4.77 -0.77 -3.09 117.00 116.64 2ekc n LEU 260 Ca 0.11 -2.48 -0.31 0.00 -0.03 0.00 0.00 56.01 53.30 2ekc n LEU 260 Cb 0.05 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 2ekc n LEU 260 CO 0.08 0.67 -0.43 -0.13 -1.33 0.00 0.00 177.39 176.25 2ekc s ARG 261 N -1.85 2.31 0.00 3.23 0.52 -1.20 -0.91 118.95 121.05 2ekc s ARG 261 Ca 0.27 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 2ekc s ARG 261 Cb 0.20 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2ekc s ARG 261 CO 0.09 0.57 0.10 0.39 0.02 0.00 0.00 175.30 176.47