#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kay n GLU 36 N 0.00 0.00 -0.15 1.43 1.02 -1.26 -4.69 120.64 116.99 3kay n GLU 36 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 3kay n GLU 36 Cb 0.00 -0.38 0.25 0.00 -0.02 0.00 0.00 31.44 31.30 3kay n GLU 36 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3kay n PHE 37 N -2.98 0.41 -0.03 -0.32 3.01 -1.26 -4.31 117.46 111.97 3kay n PHE 37 Ca 0.00 -0.20 -0.15 0.00 1.01 0.00 0.00 57.45 58.11 3kay n PHE 37 Cb 0.31 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.68 3kay n PHE 37 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3kay h THR 38 N 3.84 1.47 -0.04 4.37 2.02 -1.99 -1.20 112.91 121.38 3kay h THR 38 Ca 0.00 -1.78 0.01 0.00 0.77 0.00 0.00 66.41 65.41 3kay h THR 38 Cb 0.84 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 3kay h THR 38 CO 0.00 0.50 0.13 1.56 0.37 0.00 0.00 175.52 178.08 3kay h GLN 39 N -0.31 0.00 0.04 6.66 1.08 -1.87 -2.37 115.11 118.34 3kay h GLN 39 Ca -0.02 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.86 3kay h GLN 39 Cb 0.96 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.35 3kay h GLN 39 CO 0.06 0.00 -1.72 -0.11 -0.95 0.00 0.00 178.83 176.11 3kay n LEU 40 N -3.23 2.16 0.29 1.46 7.94 -1.15 -3.79 117.00 120.68 3kay n LEU 40 Ca -0.02 0.32 0.18 0.00 -1.11 0.00 0.00 56.01 55.38 3kay n LEU 40 Cb 0.21 -0.99 0.87 0.00 0.53 0.00 0.00 43.42 44.04 3kay n LEU 40 CO 0.20 0.52 1.05 0.77 -1.11 0.00 0.00 177.39 178.82 3kay h SER 41 N -0.64 0.00 -0.15 1.96 4.64 -1.09 -1.53 113.55 116.73 3kay h SER 41 Ca -0.43 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.81 3kay h SER 41 Cb 1.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.68 3kay h SER 41 CO -0.15 0.04 -0.21 1.56 -0.87 0.00 0.00 176.83 177.20 3kay h GLN 42 N 0.00 0.41 -0.43 4.77 4.20 -1.58 -2.27 115.11 120.22 3kay h GLN 42 Ca -0.00 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3kay h GLN 42 Cb 0.30 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3kay h GLN 42 CO 0.01 0.82 0.22 0.77 -0.67 0.00 0.00 178.83 179.98 3kay h SER 43 N 0.04 0.55 -0.86 1.46 0.02 -1.49 -1.60 113.55 111.67 3kay h SER 43 Ca 0.02 -0.11 0.07 0.00 -0.84 0.00 0.00 61.79 60.93 3kay h SER 43 Cb 0.78 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 3kay h SER 43 CO 0.05 0.50 0.53 0.40 -1.14 0.00 0.00 176.83 177.16 3kay h ILE 44 N 0.56 1.01 -0.52 3.27 2.04 -1.31 0.31 117.51 122.86 3kay h ILE 44 Ca 0.15 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 3kay h ILE 44 Cb 0.08 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 3kay h ILE 44 CO -0.02 0.17 -0.11 0.00 0.00 0.00 0.00 178.15 178.19 3kay h ALA 45 N 1.42 0.81 0.04 1.87 0.00 -1.01 -1.77 119.26 120.62 3kay h ALA 45 Ca 0.38 -0.35 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 3kay h ALA 45 Cb 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3kay h ALA 45 CO -0.19 0.66 -1.69 1.49 0.00 0.00 0.00 179.25 179.52 3kay h GLU 46 N 0.88 0.09 0.00 0.00 4.81 -0.67 -3.41 114.58 116.27 3kay h GLU 46 Ca 0.14 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kay h GLU 46 Cb 0.66 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3kay h GLU 46 CO 0.05 0.76 -0.88 1.19 -0.73 0.00 0.00 179.01 179.39 3kay n PHE 47 N -3.21 0.00 -1.50 0.92 0.99 0.10 -4.79 117.46 109.97 3kay n PHE 47 Ca -0.19 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.33 3kay n PHE 47 Cb 1.04 0.00 0.18 0.00 -1.00 0.00 0.00 39.48 39.70 3kay n PHE 47 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3kay n HIS 48 N -1.46 0.00 -4.99 1.38 8.25 -0.72 -4.83 115.22 112.85 3kay n HIS 48 Ca 0.00 -1.27 -0.28 0.00 -0.26 0.00 0.00 57.72 55.91 3kay n HIS 48 Cb 0.12 -0.21 -0.16 0.00 1.12 0.00 0.00 29.99 30.86 3kay n HIS 48 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kay s THR 49 N -2.90 1.67 0.09 1.59 2.01 -0.86 -4.88 115.64 112.36 3kay s THR 49 Ca 0.35 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.54 3kay s THR 49 Cb 0.34 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 3kay s THR 49 CO -0.04 0.47 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.97 3kay s TYR 50 N 0.09 0.93 -0.45 4.92 1.51 -1.26 -4.99 117.35 118.11 3kay s TYR 50 Ca -0.07 -0.75 -0.11 0.00 -1.01 0.00 0.00 57.07 55.13 3kay s TYR 50 Cb -0.14 -0.53 0.09 0.00 -0.11 0.00 0.00 41.96 41.28 3kay s TYR 50 CO 0.04 -0.07 0.32 -0.65 -1.11 0.00 0.00 175.55 174.07 3kay s GLN 51 N -3.10 2.67 -0.97 -0.62 -0.21 -1.26 -4.98 119.66 111.19 3kay s GLN 51 Ca 0.06 -1.52 -0.24 0.00 0.02 0.00 0.00 55.36 53.68 3kay s GLN 51 Cb -0.00 -3.91 -0.21 0.00 1.00 0.00 0.00 33.01 29.89 3kay s GLN 51 CO -0.02 -1.04 2.01 1.28 -2.12 0.00 0.00 175.29 175.40 3kay n LEU 52 N 4.99 0.97 -4.49 2.90 4.32 -1.26 -4.91 117.00 119.52 3kay n LEU 52 Ca -0.10 -2.36 -0.28 0.00 -0.02 0.00 0.00 56.01 53.24 3kay n LEU 52 Cb 0.42 -1.62 0.25 0.00 -1.62 0.00 0.00 43.42 40.86 3kay n LEU 52 CO 0.42 -3.47 0.52 -0.83 -1.22 0.00 0.00 177.39 172.81 3kay s GLY 53 N 7.69 1.54 -0.02 -0.72 0.00 -1.26 -4.99 107.32 109.56 3kay s GLY 53 Ca 0.74 -0.14 -0.16 0.00 0.00 0.00 0.00 44.72 45.16 3kay s GLY 53 CO 0.17 0.59 0.70 -0.57 0.00 0.00 0.00 173.10 173.98 3kay h ASN 54 N -2.64 -0.49 -1.31 1.64 -1.24 -2.02 -3.32 115.58 106.20 3kay h ASN 54 Ca -0.62 0.02 -0.69 0.00 0.71 0.00 0.00 56.30 55.72 3kay h ASN 54 Cb 1.34 0.13 -0.30 0.00 0.73 0.00 0.00 38.32 40.21 3kay h ASN 54 CO 0.50 -0.10 0.74 0.61 -1.29 0.00 0.00 177.43 177.89 3kay n GLY 55 N 0.23 5.82 3.25 1.57 0.00 -1.26 -4.96 105.19 109.84 3kay n GLY 55 Ca -0.07 -2.41 -0.16 0.00 0.00 0.00 0.00 46.02 43.38 3kay n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kay s ARG 56 N -3.88 1.05 0.12 1.61 0.52 -1.25 -0.81 118.95 116.32 3kay s ARG 56 Ca 0.59 -1.37 -0.09 0.00 -0.52 0.00 0.00 55.73 54.34 3kay s ARG 56 Cb 0.48 -0.75 -0.00 0.00 0.52 0.00 0.00 34.95 35.20 3kay s ARG 56 CO -0.14 0.12 0.24 0.00 0.02 0.00 0.00 175.30 175.54 3kay s SER 58 N -2.91 -0.16 0.08 0.00 1.04 -1.26 -0.84 113.70 109.65 3kay s SER 58 Ca 0.10 -0.77 -0.26 0.00 0.48 0.00 0.00 55.95 55.51 3kay s SER 58 Cb 0.04 0.63 0.08 0.00 0.10 0.00 0.00 66.02 66.87 3kay s SER 58 CO -0.06 -1.19 0.76 -0.55 0.98 0.00 0.00 173.24 173.19 3kay s SER 59 N -2.97 -0.44 -0.03 7.02 0.15 -1.10 -5.01 113.70 111.33 3kay s SER 59 Ca 0.17 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.81 3kay s SER 59 Cb -0.02 0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 64.78 3kay s SER 59 CO 0.06 -0.81 -0.13 -0.22 1.20 0.00 0.00 173.24 173.35 3kay s LEU 60 N -2.63 1.87 0.06 3.45 0.20 -1.26 -2.16 118.68 118.20 3kay s LEU 60 Ca 0.04 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.64 3kay s LEU 60 Cb -0.01 -0.72 -0.03 0.00 -0.43 0.00 0.00 46.19 45.00 3kay s LEU 60 CO -0.10 0.11 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.21 3kay s LEU 61 N 0.06 2.27 0.09 -0.68 1.02 0.01 -5.01 118.68 116.43 3kay s LEU 61 Ca -0.02 -0.58 0.07 0.00 0.02 0.00 0.00 54.13 53.62 3kay s LEU 61 Cb -0.09 -0.34 -0.03 0.00 0.02 0.00 0.00 46.19 45.75 3kay s LEU 61 CO 0.01 -0.14 -0.18 0.00 0.02 0.00 0.00 176.35 176.06 3kay s ALA 62 N -1.32 1.52 -0.10 4.21 0.00 -1.26 -0.66 121.76 124.14 3kay s ALA 62 Ca -0.06 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 3kay s ALA 62 Cb -0.10 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.88 3kay s ALA 62 CO 0.01 0.28 0.23 -1.14 0.00 0.00 0.00 175.76 175.14 3kay s GLN 63 N -1.79 0.16 0.10 0.00 2.00 -0.02 -4.98 119.66 115.13 3kay s GLN 63 Ca 0.03 0.55 -0.31 0.00 -2.00 0.00 0.00 55.36 53.64 3kay s GLN 63 Cb -0.10 -0.12 -0.07 0.00 0.80 0.00 0.00 33.01 33.52 3kay s GLN 63 CO 0.03 -0.20 1.22 1.03 -0.50 0.00 0.00 175.29 176.87 3kay s ARG 64 N 1.56 4.43 -0.03 1.67 3.00 -1.26 -1.00 118.95 127.33 3kay s ARG 64 Ca -0.06 1.83 0.07 0.00 0.00 0.00 0.00 55.73 57.57 3kay s ARG 64 Cb -0.11 -3.31 -0.02 0.00 0.00 0.00 0.00 34.95 31.52 3kay s ARG 64 CO -0.08 -0.23 -0.24 0.42 0.00 0.00 0.00 175.30 175.17 3kay s ILE 65 N 0.79 1.91 -1.29 1.52 1.09 0.36 -4.93 121.20 120.64 3kay s ILE 65 Ca 0.58 -1.02 -0.08 0.00 -1.10 0.00 0.00 60.65 59.03 3kay s ILE 65 Cb -0.31 -1.59 0.15 0.00 -1.06 0.00 0.00 42.46 39.65 3kay s ILE 65 CO 0.31 0.54 2.02 1.41 -0.10 0.00 0.00 174.94 179.12 3kay n HIS 66 N 2.64 2.82 -3.70 3.97 8.25 -1.26 -0.97 115.22 126.97 3kay n HIS 66 Ca -0.16 -2.79 -0.10 0.00 -0.26 0.00 0.00 57.72 54.41 3kay n HIS 66 Cb 0.52 -1.92 -0.03 0.00 1.12 0.00 0.00 29.99 29.68 3kay n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kay s ALA 67 N -0.02 -1.10 0.24 -1.41 0.00 -1.26 -4.73 121.76 113.48 3kay s ALA 67 Ca 0.43 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 3kay s ALA 67 Cb 0.12 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 24.01 3kay s ALA 67 CO -0.02 -0.84 1.02 -1.25 0.00 0.00 0.00 175.76 174.67 3kay s PRO 68 N -3.86 4.74 0.42 0.00 0.04 -1.25 -3.14 135.00 131.95 3kay s PRO 68 Ca 0.08 1.63 0.20 0.00 0.04 0.00 0.00 61.00 62.95 3kay s PRO 68 Cb -0.02 -3.25 1.13 0.00 0.04 0.00 0.00 34.50 32.40 3kay s PRO 68 CO -0.03 0.33 1.81 -1.00 0.04 0.00 0.00 177.00 178.15 3kay h PRO 69 N 4.23 0.35 -0.40 0.56 0.13 -1.85 -0.69 132.00 134.34 3kay h PRO 69 Ca -0.45 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 3kay h PRO 69 Cb 1.21 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3kay h PRO 69 CO 0.68 0.23 0.21 0.93 -0.23 0.00 0.00 178.00 179.83 3kay h GLU 70 N 0.37 0.41 -0.53 0.86 3.07 -1.99 0.32 114.58 117.10 3kay h GLU 70 Ca 0.54 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3kay h GLU 70 Cb 1.44 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.23 3kay h GLU 70 CO -0.23 0.27 0.32 1.15 -1.40 0.00 0.00 179.01 179.13 3kay h THR 71 N 0.43 1.16 -0.03 1.13 2.02 -1.52 -1.63 112.91 114.46 3kay h THR 71 Ca 0.17 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3kay h THR 71 Cb 0.05 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3kay h THR 71 CO -0.10 0.16 0.00 0.58 0.37 0.00 0.00 175.52 176.53 3kay h VAL 72 N 0.71 1.23 -0.96 3.16 2.07 -1.03 -2.73 116.25 118.71 3kay h VAL 72 Ca 0.19 -0.71 0.15 0.00 0.82 0.00 0.00 66.70 67.15 3kay h VAL 72 Cb -0.01 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 3kay h VAL 72 CO -0.04 0.19 0.60 -0.25 0.02 0.00 0.00 177.57 178.10 3kay h TRP 73 N -0.23 0.98 0.00 1.57 2.91 -0.28 -1.40 115.95 119.50 3kay h TRP 73 Ca 0.01 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 3kay h TRP 73 Cb 0.30 -0.31 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3kay h TRP 73 CO 0.03 0.34 -0.02 0.66 -1.03 0.00 0.00 178.44 178.42 3kay h SER 74 N 0.81 0.00 0.00 2.65 4.64 -0.97 -0.82 113.55 119.85 3kay h SER 74 Ca 0.49 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.55 3kay h SER 74 Cb 0.68 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 3kay h SER 74 CO -0.26 0.02 -1.46 0.52 -0.87 0.00 0.00 176.83 174.78 3kay n VAL 75 N -3.24 1.53 -0.11 0.95 0.31 -0.58 -4.33 118.33 112.86 3kay n VAL 75 Ca -0.02 -0.08 -0.05 0.00 -0.01 0.00 0.00 64.34 64.18 3kay n VAL 75 Cb 0.15 -2.03 0.02 0.00 -0.91 0.00 0.00 33.84 31.06 3kay n VAL 75 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3kay h VAL 76 N -1.00 0.70 -0.03 2.52 2.07 -1.21 -2.33 116.25 116.96 3kay h VAL 76 Ca -0.40 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3kay h VAL 76 Cb 1.32 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3kay h VAL 76 CO -0.24 0.01 0.04 0.08 0.02 0.00 0.00 177.57 177.48 3kay h ARG 77 N 0.07 0.00 -5.54 1.57 0.11 -1.38 -3.39 114.38 105.82 3kay h ARG 77 Ca 0.18 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.95 3kay h ARG 77 Cb 0.26 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.30 3kay h ARG 77 CO -0.33 0.00 0.95 1.03 0.10 0.00 0.00 179.97 181.73 3kay s ARG 78 N -4.70 2.50 0.50 0.08 1.81 -0.88 -4.72 118.95 113.55 3kay s ARG 78 Ca -0.05 -0.88 0.16 0.00 -1.72 0.00 0.00 55.73 53.24 3kay s ARG 78 Cb 0.15 -5.18 1.20 0.00 -0.45 0.00 0.00 34.95 30.68 3kay s ARG 78 CO 0.56 -3.81 2.10 0.35 -0.68 0.00 0.00 175.30 173.83 3kay h PHE 79 N 10.24 0.11 -0.95 -0.53 3.57 -1.86 -2.20 116.94 125.32 3kay h PHE 79 Ca 0.18 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.77 3kay h PHE 79 Cb 0.96 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 3kay h PHE 79 CO 1.21 0.07 0.61 0.22 -2.23 0.00 0.00 178.31 178.19 3kay h ASP 80 N 0.12 0.91 -2.48 0.41 1.82 -1.96 -3.38 116.42 111.85 3kay h ASP 80 Ca 0.08 0.02 -0.59 0.00 -0.39 0.00 0.00 57.03 56.15 3kay h ASP 80 Cb 0.16 -0.16 -0.39 0.00 0.68 0.00 0.00 39.33 39.62 3kay h ASP 80 CO -0.01 0.54 -0.92 0.00 -1.61 0.00 0.00 179.24 177.24 3kay s ARG 81 N -5.92 1.07 0.03 0.28 1.70 -0.83 -4.89 118.95 110.39 3kay s ARG 81 Ca -0.12 -2.20 0.22 0.00 -0.47 0.00 0.00 55.73 53.16 3kay s ARG 81 Cb 0.21 -1.66 0.94 0.00 -0.57 0.00 0.00 34.95 33.87 3kay s ARG 81 CO 0.80 -1.36 1.71 -0.35 -1.08 0.00 0.00 175.30 175.03 3kay n PRO 82 N 2.83 0.03 0.12 3.89 -0.04 -1.25 -3.71 135.00 136.88 3kay n PRO 82 Ca 0.27 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 3kay n PRO 82 Cb 0.45 -1.54 0.61 0.00 -0.04 0.00 0.00 33.50 32.99 3kay n PRO 82 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3kay h GLN 83 N 0.00 0.10 -0.81 0.54 7.50 -1.91 -1.81 115.11 118.71 3kay h GLN 83 Ca 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.15 3kay h GLN 83 Cb 0.40 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.87 3kay h GLN 83 CO 0.00 0.07 0.54 0.82 -1.50 0.00 0.00 178.83 178.76 3kay h ILE 84 N 0.11 1.20 0.00 2.54 2.04 -1.99 -3.22 117.51 118.20 3kay h ILE 84 Ca 0.11 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3kay h ILE 84 Cb 0.32 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3kay h ILE 84 CO -0.01 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.34 3kay n TYR 85 N -4.42 0.00 -4.31 1.37 0.18 -1.14 -4.87 117.16 103.98 3kay n TYR 85 Ca 0.09 -0.26 -0.28 0.00 1.88 0.00 0.00 57.90 59.33 3kay n TYR 85 Cb 0.03 -0.03 -0.11 0.00 -0.38 0.00 0.00 39.34 38.86 3kay n TYR 85 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3kay s LYS 86 N -0.52 1.84 0.29 -3.48 1.02 -0.69 -3.92 119.74 114.27 3kay s LYS 86 Ca 0.00 -1.23 0.04 0.00 0.02 0.00 0.00 55.97 54.80 3kay s LYS 86 Cb 0.00 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 3kay s LYS 86 CO 0.00 0.46 0.43 -1.01 -0.92 0.00 0.00 175.35 174.31 3kay s HIS 87 N -1.35 3.41 -1.19 3.18 3.76 -1.26 -4.54 115.29 117.31 3kay s HIS 87 Ca 0.20 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 3kay s HIS 87 Cb -0.10 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.86 3kay s HIS 87 CO 0.12 0.27 0.00 1.19 -0.85 0.00 0.00 174.74 175.47 3kay n PHE 88 N -1.56 -0.15 -3.59 1.40 3.01 -1.26 -4.95 117.46 110.36 3kay n PHE 88 Ca -0.06 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.00 3kay n PHE 88 Cb 0.57 -2.32 -0.11 0.00 -0.01 0.00 0.00 39.48 37.61 3kay n PHE 88 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3kay s ILE 89 N -2.48 4.83 -0.05 4.37 1.01 -1.26 -0.77 121.20 126.85 3kay s ILE 89 Ca 0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 3kay s ILE 89 Cb 0.00 -3.56 -0.21 0.00 0.01 0.00 0.00 42.46 38.70 3kay s ILE 89 CO 0.00 -0.08 1.16 0.50 0.00 0.00 0.00 174.94 176.51 3kay h LYS 90 N 8.44 -0.01 -3.03 2.79 3.64 -1.35 -3.48 116.57 123.57 3kay h LYS 90 Ca -0.29 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 3kay h LYS 90 Cb 1.13 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.84 3kay h LYS 90 CO 0.65 0.57 0.19 -1.54 -2.27 0.00 0.00 179.45 177.05 3kay s SER 91 N -5.78 -0.52 -0.11 4.20 1.04 -1.18 -5.03 113.70 106.33 3kay s SER 91 Ca -0.16 -0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.18 3kay s SER 91 Cb 0.01 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.75 3kay s SER 91 CO 0.67 -1.00 -0.07 0.00 0.98 0.00 0.00 173.24 173.82 3kay s ASN 93 N 1.66 4.05 0.48 0.00 0.01 -0.32 -4.96 114.94 115.86 3kay s ASN 93 Ca 0.04 -0.21 0.04 0.00 -0.71 0.00 0.00 52.86 52.02 3kay s ASN 93 Cb -0.13 -0.97 -0.02 0.00 0.41 0.00 0.00 41.25 40.54 3kay s ASN 93 CO -0.07 0.32 0.11 0.68 -1.51 0.00 0.00 177.10 176.63 3kay s VAL 94 N -0.58 1.60 0.80 1.60 -7.23 -1.26 -1.06 120.40 114.27 3kay s VAL 94 Ca 0.08 -1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 3kay s VAL 94 Cb -0.11 -2.44 0.07 0.00 0.56 0.00 0.00 36.38 34.46 3kay s VAL 94 CO 0.01 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 174.95 3kay s SER 95 N -3.94 4.37 0.12 4.85 1.04 -1.26 -4.97 113.70 113.91 3kay s SER 95 Ca 0.22 1.48 -0.20 0.00 0.48 0.00 0.00 55.95 57.94 3kay s SER 95 Cb 0.03 -2.22 -0.07 0.00 0.10 0.00 0.00 66.02 63.85 3kay s SER 95 CO 0.12 -2.07 1.76 -0.08 0.98 0.00 0.00 173.24 173.96 3kay h GLU 96 N -1.16 0.25 -1.68 4.02 4.57 -2.02 -2.65 114.58 115.92 3kay h GLU 96 Ca -0.47 -0.02 -0.35 0.00 -1.18 0.00 0.00 59.36 57.35 3kay h GLU 96 Cb 1.26 -0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 29.65 3kay h GLU 96 CO 0.56 0.18 0.36 -0.40 -1.18 0.00 0.00 179.01 178.53 3kay n ASP 97 N -4.95 6.37 -4.76 1.04 5.75 -1.26 -4.98 116.55 113.77 3kay n ASP 97 Ca -0.03 -3.05 -0.41 0.00 -0.01 0.00 0.00 54.79 51.29 3kay n ASP 97 Cb 0.03 -1.12 -0.02 0.00 -1.03 0.00 0.00 41.12 38.98 3kay n ASP 97 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3kay s PHE 98 N -1.60 2.98 -0.13 2.11 5.36 -1.00 -5.01 117.98 120.68 3kay s PHE 98 Ca 0.38 1.18 -0.09 0.00 -0.96 0.00 0.00 56.93 57.44 3kay s PHE 98 Cb 0.27 -3.80 0.05 0.00 -0.34 0.00 0.00 43.02 39.20 3kay s PHE 98 CO -0.06 -2.42 0.33 -2.00 -1.46 0.00 0.00 175.22 169.62 3kay s GLU 99 N -1.09 0.33 -0.44 10.12 2.12 -1.26 -5.07 118.70 123.42 3kay s GLU 99 Ca 0.55 0.59 -0.25 0.00 0.36 0.00 0.00 54.97 56.22 3kay s GLU 99 Cb -0.42 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.02 3kay s GLU 99 CO 0.49 -0.12 0.90 1.41 -0.54 0.00 0.00 175.26 177.40 3kay s MET 100 N 0.93 3.58 0.05 4.30 -2.45 -1.26 -4.81 119.30 119.64 3kay s MET 100 Ca -0.06 0.20 -0.22 0.00 -1.25 0.00 0.00 55.69 54.36 3kay s MET 100 Cb -0.07 -3.90 0.05 0.00 1.25 0.00 0.00 34.83 32.16 3kay s MET 100 CO -0.07 -1.14 0.52 -0.98 1.05 0.00 0.00 175.02 174.39 3kay s ARG 101 N 3.61 1.03 -0.27 4.11 1.70 -1.26 -5.05 118.95 122.83 3kay s ARG 101 Ca 0.36 -0.24 -0.38 0.00 -0.47 0.00 0.00 55.73 54.99 3kay s ARG 101 Cb -0.11 0.47 -0.14 0.00 -0.57 0.00 0.00 34.95 34.60 3kay s ARG 101 CO 0.24 -0.37 1.86 0.28 -1.08 0.00 0.00 175.30 176.23 3kay n VAL 102 N 0.41 0.33 0.00 4.99 0.31 -1.26 0.11 118.33 123.22 3kay n VAL 102 Ca -0.18 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3kay n VAL 102 Cb 0.60 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 3kay n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kay n GLY 103 N 4.72 2.39 1.80 2.92 0.00 -0.62 -5.03 105.19 111.36 3kay n GLY 103 Ca 0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 3kay n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kay s THR 105 N -0.69 0.94 0.01 0.00 2.01 -1.26 -2.00 115.64 114.64 3kay s THR 105 Ca 0.33 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.64 3kay s THR 105 Cb -0.43 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 3kay s THR 105 CO 0.32 0.13 -0.02 0.00 -0.69 0.00 0.00 174.62 174.36 3kay s ARG 106 N -0.64 0.16 -0.36 4.92 1.70 -0.61 -4.61 118.95 119.50 3kay s ARG 106 Ca 0.03 -0.26 -0.13 0.00 -0.47 0.00 0.00 55.73 54.89 3kay s ARG 106 Cb -0.06 0.00 -0.00 0.00 -0.57 0.00 0.00 34.95 34.32 3kay s ARG 106 CO 0.00 -0.01 0.25 -0.51 -1.08 0.00 0.00 175.30 173.96 3kay s ASP 107 N -0.59 6.04 -0.30 -2.89 1.01 -0.23 -1.62 116.67 118.09 3kay s ASP 107 Ca -0.06 -0.59 -0.09 0.00 0.71 0.00 0.00 52.55 52.52 3kay s ASP 107 Cb -0.04 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 3kay s ASP 107 CO -0.00 -0.30 0.14 -0.69 0.21 0.00 0.00 175.17 174.52 3kay s VAL 108 N 1.70 4.53 -0.49 -1.27 1.01 0.10 -1.17 120.40 124.82 3kay s VAL 108 Ca 0.06 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 3kay s VAL 108 Cb -0.18 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3kay s VAL 108 CO 0.10 0.11 0.84 0.20 0.00 0.00 0.00 175.10 176.35 3kay s ASN 109 N 1.61 6.38 0.04 3.32 -0.87 0.53 0.14 114.94 126.10 3kay s ASN 109 Ca 0.05 -0.23 0.02 0.00 -1.57 0.00 0.00 52.86 51.13 3kay s ASN 109 Cb -0.17 -2.40 -0.04 0.00 -0.02 0.00 0.00 41.25 38.62 3kay s ASN 109 CO 0.06 -1.03 0.03 0.54 -2.57 0.00 0.00 177.10 174.13 3kay s VAL 110 N 3.50 4.28 -0.08 1.60 0.11 0.26 -0.88 120.40 129.19 3kay s VAL 110 Ca 0.30 -0.72 0.12 0.00 -2.93 0.00 0.00 61.98 58.75 3kay s VAL 110 Cb -0.13 -2.99 0.18 0.00 -1.53 0.00 0.00 36.38 31.92 3kay s VAL 110 CO 0.21 0.25 1.09 2.30 -3.33 0.00 0.00 175.10 175.62 3kay n ILE 111 N 0.93 1.22 0.31 7.04 -5.35 0.05 -2.06 119.36 121.49 3kay n ILE 111 Ca -0.12 -1.46 0.03 0.00 -0.27 0.00 0.00 62.75 60.94 3kay n ILE 111 Cb 0.52 0.03 0.16 0.00 -1.74 0.00 0.00 39.64 38.62 3kay n ILE 111 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3kay n SER 112 N -0.92 0.00 -0.38 7.28 3.41 -1.26 -4.72 113.62 117.03 3kay n SER 112 Ca 0.10 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3kay n SER 112 Cb 0.65 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3kay n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kay n GLY 113 N -0.73 3.96 3.13 5.00 0.00 -1.26 -5.15 105.19 110.13 3kay n GLY 113 Ca 0.03 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 3kay n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kay s LEU 114 N 0.00 0.78 1.20 0.99 1.43 -1.26 -4.34 118.68 117.48 3kay s LEU 114 Ca 0.00 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.47 3kay s LEU 114 Cb 0.00 0.88 0.28 0.00 0.03 0.00 0.00 46.19 47.38 3kay s LEU 114 CO 0.00 -0.12 1.05 -2.84 0.23 0.00 0.00 176.35 174.68 3kay s PRO 115 N 0.52 -1.21 1.09 1.29 0.02 -1.26 -5.12 135.00 130.32 3kay s PRO 115 Ca -0.03 0.24 -0.12 0.00 0.02 0.00 0.00 61.00 61.11 3kay s PRO 115 Cb -0.05 -1.57 0.24 0.00 0.02 0.00 0.00 34.50 33.15 3kay s PRO 115 CO -0.03 -3.77 1.07 0.00 -0.33 0.00 0.00 177.00 173.94 3kay s ALA 116 N -2.76 0.12 -0.15 -1.55 0.00 -1.26 -4.99 121.76 111.18 3kay s ALA 116 Ca 0.69 0.17 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 3kay s ALA 116 Cb -0.15 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.69 3kay s ALA 116 CO 0.58 -3.55 0.35 1.21 0.00 0.00 0.00 175.76 174.35 3kay s ASN 117 N -2.49 -0.42 -0.39 0.00 3.04 -0.87 -5.00 114.94 108.80 3kay s ASN 117 Ca 0.68 0.76 -0.07 0.00 0.04 0.00 0.00 52.86 54.26 3kay s ASN 117 Cb -0.25 0.64 0.07 0.00 -1.54 0.00 0.00 41.25 40.17 3kay s ASN 117 CO 0.63 -0.18 0.20 -0.89 -3.04 0.00 0.00 177.10 173.82 3kay s THR 118 N 1.31 3.97 -0.20 -5.21 2.01 -1.26 0.92 115.64 117.18 3kay s THR 118 Ca -0.09 -1.40 -0.25 0.00 0.31 0.00 0.00 61.69 60.26 3kay s THR 118 Cb -0.09 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 3kay s THR 118 CO -0.11 -0.43 0.85 -0.55 -0.69 0.00 0.00 174.62 173.69 3kay s SER 119 N 1.86 6.92 -0.43 3.53 0.15 0.38 -4.39 113.70 121.72 3kay s SER 119 Ca 0.02 1.14 -0.20 0.00 0.70 0.00 0.00 55.95 57.60 3kay s SER 119 Cb -0.22 -2.45 0.02 0.00 -1.71 0.00 0.00 66.02 61.66 3kay s SER 119 CO 0.01 -0.46 0.61 -0.13 1.20 0.00 0.00 173.24 174.47 3kay s ARG 120 N 2.49 3.29 0.09 5.44 0.52 -0.21 0.01 118.95 130.58 3kay s ARG 120 Ca 0.37 -0.39 0.09 0.00 -0.52 0.00 0.00 55.73 55.28 3kay s ARG 120 Cb -0.16 -3.94 -0.03 0.00 0.52 0.00 0.00 34.95 31.34 3kay s ARG 120 CO 0.10 -0.96 -0.22 -1.21 0.02 0.00 0.00 175.30 173.03 3kay s GLU 121 N 2.71 1.25 -0.03 3.54 2.02 -0.64 -0.68 118.70 126.87 3kay s GLU 121 Ca 0.21 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 54.08 3kay s GLU 121 Cb -0.15 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.56 3kay s GLU 121 CO 0.18 0.36 -0.11 0.50 0.02 0.00 0.00 175.26 176.21 3kay s ARG 122 N -1.77 1.16 0.00 1.61 3.52 0.11 -1.58 118.95 122.01 3kay s ARG 122 Ca 0.08 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 3kay s ARG 122 Cb -0.10 -1.06 -0.07 0.00 -1.56 0.00 0.00 34.95 32.17 3kay s ARG 122 CO 0.04 0.14 1.63 -1.17 -0.81 0.00 0.00 175.30 175.13 3kay s LEU 123 N 0.18 4.34 -0.20 -0.88 0.20 -0.85 -0.79 118.68 120.68 3kay s LEU 123 Ca -0.04 2.33 0.10 0.00 0.69 0.00 0.00 54.13 57.21 3kay s LEU 123 Cb -0.09 -3.55 -0.22 0.00 -0.43 0.00 0.00 46.19 41.90 3kay s LEU 123 CO 0.01 -0.89 0.03 0.47 -0.29 0.00 0.00 176.35 175.68 3kay n ASP 124 N 6.32 0.95 -3.49 3.68 8.00 0.19 -1.59 116.55 130.60 3kay n ASP 124 Ca 0.16 -0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.54 3kay n ASP 124 Cb 0.42 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 3kay n ASP 124 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3kay s LEU 125 N -6.03 -0.50 -0.27 0.64 2.34 -1.03 -4.88 118.68 108.95 3kay s LEU 125 Ca -0.20 0.23 -0.10 0.00 0.06 0.00 0.00 54.13 54.12 3kay s LEU 125 Cb 0.07 2.31 0.11 0.00 -0.56 0.00 0.00 46.19 48.12 3kay s LEU 125 CO 0.74 -0.69 0.60 -0.22 -1.06 0.00 0.00 176.35 175.72 3kay s LEU 126 N -2.06 -0.97 -0.26 1.48 2.96 -1.25 -1.54 118.68 117.04 3kay s LEU 126 Ca -0.01 1.42 -0.04 0.00 -0.22 0.00 0.00 54.13 55.28 3kay s LEU 126 Cb -0.01 2.07 0.10 0.00 0.50 0.00 0.00 46.19 48.85 3kay s LEU 126 CO -0.04 -0.22 0.15 -0.62 -1.32 0.00 0.00 176.35 174.29 3kay s ASP 127 N 2.59 2.98 0.44 3.68 3.68 -0.31 -5.02 116.67 124.71 3kay s ASP 127 Ca -0.06 -1.04 0.31 0.00 2.13 0.00 0.00 52.55 53.89 3kay s ASP 127 Cb -0.11 -0.19 1.41 0.00 -1.45 0.00 0.00 42.92 42.59 3kay s ASP 127 CO -0.18 -0.41 1.92 0.44 0.13 0.00 0.00 175.17 177.07 3kay h ASP 128 N 8.39 0.00 0.09 -0.34 3.32 -1.97 -1.87 116.42 124.04 3kay h ASP 128 Ca -0.18 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.68 3kay h ASP 128 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3kay h ASP 128 CO 0.39 0.00 -0.95 0.44 -1.72 0.00 0.00 179.24 177.40 3kay h ASP 129 N 0.00 0.30 -0.09 6.45 3.32 -1.96 -3.34 116.42 121.09 3kay h ASP 129 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 3kay h ASP 129 Cb 0.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3kay h ASP 129 CO 0.00 1.42 0.00 0.54 -1.72 0.00 0.00 179.24 179.48 3kay n ARG 130 N -4.17 1.69 -3.64 3.56 1.74 -1.19 -4.96 116.66 109.70 3kay n ARG 130 Ca -0.20 -1.03 -0.26 0.00 -0.77 0.00 0.00 57.85 55.60 3kay n ARG 130 Cb 0.78 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.82 3kay n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kay n ARG 131 N 0.24 -2.47 -4.37 5.56 1.74 -0.73 -4.75 116.66 111.88 3kay n ARG 131 Ca 0.18 0.56 -0.25 0.00 -0.77 0.00 0.00 57.85 57.56 3kay n ARG 131 Cb 0.34 -4.69 -0.17 0.00 -1.02 0.00 0.00 32.46 26.92 3kay n ARG 131 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kay s VAL 132 N -3.55 1.10 0.08 1.55 1.01 -1.01 -2.61 120.40 116.96 3kay s VAL 132 Ca 0.31 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3kay s VAL 132 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3kay s VAL 132 CO 0.83 0.36 -0.06 0.28 0.00 0.00 0.00 175.10 176.51 3kay s THR 133 N 0.98 0.56 -0.20 3.92 -1.32 -0.49 -1.16 115.64 117.94 3kay s THR 133 Ca -0.09 -1.76 -0.28 0.00 -1.21 0.00 0.00 61.69 58.35 3kay s THR 133 Cb -0.15 -1.46 0.11 0.00 -1.51 0.00 0.00 72.50 69.50 3kay s THR 133 CO -0.00 -0.82 0.94 -0.83 -2.21 0.00 0.00 174.62 171.70 3kay s GLY 134 N -2.77 -0.29 0.13 6.08 0.00 -0.59 -0.34 107.32 109.54 3kay s GLY 134 Ca 0.07 2.16 -0.08 0.00 0.00 0.00 0.00 44.72 46.87 3kay s GLY 134 CO -0.05 1.37 0.23 -0.11 0.00 0.00 0.00 173.10 174.54 3kay s PHE 135 N -0.51 0.36 0.17 1.90 -0.12 0.00 0.52 117.98 120.30 3kay s PHE 135 Ca -0.01 -0.75 0.06 0.00 -0.05 0.00 0.00 56.93 56.19 3kay s PHE 135 Cb -0.02 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 3kay s PHE 135 CO -0.00 -0.64 -0.13 -1.54 -0.05 0.00 0.00 175.22 172.86 3kay s SER 136 N -2.94 2.23 -0.43 1.98 1.04 0.03 -0.15 113.70 115.45 3kay s SER 136 Ca 0.13 -0.99 -0.16 0.00 0.48 0.00 0.00 55.95 55.42 3kay s SER 136 Cb 0.04 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.12 3kay s SER 136 CO -0.04 -0.22 0.37 -0.63 0.98 0.00 0.00 173.24 173.70 3kay s ILE 137 N -2.97 5.21 -0.85 -1.02 1.01 -0.06 0.09 121.20 122.61 3kay s ILE 137 Ca 0.19 -0.71 0.26 0.00 0.00 0.00 0.00 60.65 60.38 3kay s ILE 137 Cb -0.00 -4.02 0.09 0.00 0.01 0.00 0.00 42.46 38.54 3kay s ILE 137 CO 0.04 -0.43 1.52 0.35 0.00 0.00 0.00 174.94 176.42 3kay n THR 138 N 5.24 0.18 0.00 2.92 -2.24 0.15 -3.77 114.28 116.77 3kay n THR 138 Ca -0.11 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3kay n THR 138 Cb 0.46 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3kay n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kay n GLY 139 N 1.42 -0.17 1.84 3.38 0.00 -1.19 -4.94 105.19 105.54 3kay n GLY 139 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3kay n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kay n GLY 140 N -0.36 0.79 2.59 -0.02 0.00 -1.26 -1.04 105.19 105.88 3kay n GLY 140 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3kay n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kay s GLU 141 N -0.33 0.59 0.35 1.61 2.56 -1.26 -4.05 118.70 118.18 3kay s GLU 141 Ca 0.00 -1.15 0.27 0.00 0.00 0.00 0.00 54.97 54.08 3kay s GLU 141 Cb 0.00 -1.06 1.16 0.00 2.00 0.00 0.00 34.13 36.24 3kay s GLU 141 CO 0.00 -1.21 1.80 1.12 -0.56 0.00 0.00 175.26 176.41 3kay h HIS 142 N 6.99 0.00 0.00 5.30 2.07 -1.99 -2.55 115.15 124.97 3kay h HIS 142 Ca 0.06 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.46 3kay h HIS 142 Cb 1.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.97 3kay h HIS 142 CO 0.39 0.00 -0.59 0.00 -3.07 0.00 0.00 177.93 174.66 3kay h ARG 143 N 0.00 0.00 -2.09 5.12 -0.00 -2.00 -3.39 114.38 112.02 3kay h ARG 143 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.91 3kay h ARG 143 Cb 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 29.91 3kay h ARG 143 CO 0.00 0.59 -0.91 1.28 0.00 0.00 0.00 179.97 180.93 3kay n LEU 144 N -3.35 1.78 -4.72 3.04 4.77 -0.96 -4.91 117.00 112.66 3kay n LEU 144 Ca 0.01 -5.06 -0.42 0.00 -0.03 0.00 0.00 56.01 50.51 3kay n LEU 144 Cb 0.72 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 3kay n LEU 144 CO 0.41 2.11 0.82 -0.13 -1.33 0.00 0.00 177.39 179.27 3kay s ARG 145 N -1.93 4.49 -1.36 3.23 0.52 -1.24 -3.32 118.95 119.35 3kay s ARG 145 Ca 0.38 1.67 -0.06 0.00 -0.52 0.00 0.00 55.73 57.20 3kay s ARG 145 Cb 0.19 -3.37 0.03 0.00 0.52 0.00 0.00 34.95 32.32 3kay s ARG 145 CO -0.08 -0.15 0.96 0.09 0.02 0.00 0.00 175.30 176.15 3kay n ASN 146 N 3.68 -3.67 -4.73 0.23 5.03 -1.25 -1.23 115.26 113.31 3kay n ASN 146 Ca 0.07 -0.70 -0.41 0.00 0.87 0.00 0.00 54.58 54.42 3kay n ASN 146 Cb 0.48 -4.48 -0.04 0.00 -1.02 0.00 0.00 39.78 34.71 3kay n ASN 146 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3kay s TYR 147 N -3.42 3.78 -0.04 3.10 5.04 -1.21 -4.14 117.35 120.47 3kay s TYR 147 Ca 0.33 1.77 0.01 0.00 -2.44 0.00 0.00 57.07 56.73 3kay s TYR 147 Cb -0.16 -3.10 0.02 0.00 0.35 0.00 0.00 41.96 39.08 3kay s TYR 147 CO 0.78 0.05 -0.02 0.21 -1.34 0.00 0.00 175.55 175.23 3kay s LYS 148 N -0.19 0.60 0.12 4.97 2.20 0.11 -0.88 119.74 126.66 3kay s LYS 148 Ca 0.47 -0.01 0.07 0.00 -0.36 0.00 0.00 55.97 56.14 3kay s LYS 148 Cb -0.25 -0.71 -0.04 0.00 -1.51 0.00 0.00 37.83 35.32 3kay s LYS 148 CO 0.31 -0.13 -0.18 0.45 -0.36 0.00 0.00 175.35 175.45 3kay s SER 149 N 1.07 2.33 0.00 1.43 0.15 0.79 -0.66 113.70 118.82 3kay s SER 149 Ca -0.09 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.82 3kay s SER 149 Cb -0.14 -0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.05 3kay s SER 149 CO -0.01 -0.02 -0.01 -0.69 1.20 0.00 0.00 173.24 173.71 3kay s VAL 150 N -1.56 0.03 -0.04 4.45 1.01 -0.59 -0.82 120.40 122.88 3kay s VAL 150 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3kay s VAL 150 Cb -0.08 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.26 3kay s VAL 150 CO 0.04 -0.05 -0.07 -0.89 0.00 0.00 0.00 175.10 174.13 3kay s THR 151 N -0.18 0.66 -0.02 3.92 2.01 0.53 -1.51 115.64 121.05 3kay s THR 151 Ca -0.02 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.77 3kay s THR 151 Cb -0.01 -0.63 -0.00 0.00 0.01 0.00 0.00 72.50 71.87 3kay s THR 151 CO -0.00 0.23 -0.11 0.42 -0.69 0.00 0.00 174.62 174.47 3kay s THR 152 N 0.56 0.89 -0.11 -0.82 -4.23 -0.43 -1.39 115.64 110.11 3kay s THR 152 Ca -0.08 -0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 3kay s THR 152 Cb -0.12 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 3kay s THR 152 CO 0.01 0.26 0.05 -0.69 -0.54 0.00 0.00 174.62 173.71 3kay s VAL 153 N -0.05 4.72 0.02 2.29 1.01 -1.07 -0.70 120.40 126.62 3kay s VAL 153 Ca 0.01 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3kay s VAL 153 Cb -0.07 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3kay s VAL 153 CO 0.00 0.59 -0.15 -1.00 0.00 0.00 0.00 175.10 174.54 3kay s HIS 154 N -0.77 1.32 -0.06 5.22 3.76 0.11 -4.85 115.29 120.02 3kay s HIS 154 Ca 0.12 -0.30 -0.26 0.00 -0.15 0.00 0.00 55.06 54.47 3kay s HIS 154 Cb -0.12 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.73 3kay s HIS 154 CO 0.03 0.01 0.82 0.50 -0.85 0.00 0.00 174.74 175.25 3kay s ARG 155 N -0.75 4.45 -0.27 1.40 3.52 -1.26 -1.48 118.95 124.55 3kay s ARG 155 Ca 0.04 1.09 -0.03 0.00 -0.13 0.00 0.00 55.73 56.71 3kay s ARG 155 Cb -0.07 -3.48 0.09 0.00 -1.56 0.00 0.00 34.95 29.94 3kay s ARG 155 CO 0.00 -0.05 0.10 -0.06 -0.81 0.00 0.00 175.30 174.48 3kay s PHE 156 N 1.14 0.96 -0.82 5.12 0.40 -0.27 -4.91 117.98 119.60 3kay s PHE 156 Ca 0.43 -1.17 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 3kay s PHE 156 Cb -0.19 -1.22 0.20 0.00 0.51 0.00 0.00 43.02 42.33 3kay s PHE 156 CO 0.20 -0.79 0.66 -1.83 0.70 0.00 0.00 175.22 174.16 3kay s GLU 157 N 1.88 2.94 -0.50 0.44 -1.05 -1.26 -2.15 118.70 118.99 3kay s GLU 157 Ca 0.07 -3.33 0.01 0.00 -0.15 0.00 0.00 54.97 51.57 3kay s GLU 157 Cb -0.17 -3.73 0.13 0.00 -0.44 0.00 0.00 34.13 29.93 3kay s GLU 157 CO -0.26 -1.28 0.26 0.15 0.95 0.00 0.00 175.26 175.09 3kay s LYS 158 N -1.44 2.05 0.00 -4.83 -0.14 -1.26 -4.98 119.74 109.14 3kay s LYS 158 Ca 0.27 -2.35 0.00 0.00 -1.36 0.00 0.00 55.97 52.53 3kay s LYS 158 Cb -0.06 -3.45 0.00 0.00 -1.68 0.00 0.00 37.83 32.64 3kay s LYS 158 CO -0.15 -1.09 0.00 -1.91 -0.76 0.00 0.00 175.35 171.44 3kay n GLU 161 N 3.63 0.00 -3.88 1.68 2.13 -1.26 -4.91 120.64 118.04 3kay n GLU 161 Ca 0.05 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.51 3kay n GLU 161 Cb 0.37 -0.85 0.02 0.00 0.27 0.00 0.00 31.44 31.25 3kay n GLU 161 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3kay n GLU 162 N -2.12 -1.24 -2.34 5.31 1.02 -1.26 -4.79 120.64 115.22 3kay n GLU 162 Ca 0.00 0.31 -0.35 0.00 -0.02 0.00 0.00 57.16 57.10 3kay n GLU 162 Cb 0.00 -3.68 -0.04 0.00 -0.02 0.00 0.00 31.44 27.71 3kay n GLU 162 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kay s GLU 163 N -6.59 3.16 0.54 3.49 2.02 -1.26 -4.96 118.70 115.10 3kay s GLU 163 Ca 0.38 -0.84 -0.20 0.00 0.02 0.00 0.00 54.97 54.33 3kay s GLU 163 Cb -0.16 -5.25 -0.06 0.00 0.10 0.00 0.00 34.13 28.76 3kay s GLU 163 CO 0.91 -2.74 1.12 1.03 0.02 0.00 0.00 175.26 175.60 3kay s ARG 164 N 5.80 3.41 -0.55 1.61 0.52 -1.26 -4.91 118.95 123.56 3kay s ARG 164 Ca 0.57 1.59 -0.26 0.00 -0.52 0.00 0.00 55.73 57.11 3kay s ARG 164 Cb -0.02 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.45 3kay s ARG 164 CO -0.05 -0.80 1.05 0.42 0.02 0.00 0.00 175.30 175.95 3kay s ILE 165 N -1.78 4.24 0.49 1.52 -1.09 -1.26 -4.61 121.20 118.71 3kay s ILE 165 Ca 0.72 0.65 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 3kay s ILE 165 Cb -0.23 -4.61 0.02 0.00 -1.58 0.00 0.00 42.46 36.06 3kay s ILE 165 CO 0.26 -1.16 0.69 0.26 -1.23 0.00 0.00 174.94 173.76 3kay s TRP 166 N 4.36 2.83 0.05 3.97 0.23 -0.91 -3.84 118.94 125.62 3kay s TRP 166 Ca 0.37 -0.18 0.05 0.00 -2.03 0.00 0.00 56.10 54.31 3kay s TRP 166 Cb -0.10 -2.59 -0.02 0.00 0.03 0.00 0.00 33.47 30.79 3kay s TRP 166 CO 0.23 -0.68 -0.15 0.99 0.96 0.00 0.00 176.95 178.31 3kay s THR 167 N -2.58 1.15 -0.11 2.01 2.01 -0.14 -1.11 115.64 116.86 3kay s THR 167 Ca 0.56 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.51 3kay s THR 167 Cb -0.10 -1.05 0.01 0.00 0.01 0.00 0.00 72.50 71.37 3kay s THR 167 CO 0.36 -0.03 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.40 3kay s VAL 168 N -0.94 1.64 -0.15 3.82 1.01 -0.55 -0.49 120.40 124.75 3kay s VAL 168 Ca 0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3kay s VAL 168 Cb -0.08 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3kay s VAL 168 CO 0.02 0.47 0.04 -0.69 0.00 0.00 0.00 175.10 174.93 3kay s VAL 169 N 0.87 4.62 -0.09 2.92 1.01 -0.17 0.10 120.40 129.65 3kay s VAL 169 Ca -0.08 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3kay s VAL 169 Cb -0.15 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3kay s VAL 169 CO -0.00 0.52 -0.10 -0.76 0.00 0.00 0.00 175.10 174.76 3kay s LEU 170 N -0.11 2.94 -0.07 3.92 1.43 0.12 -0.84 118.68 126.07 3kay s LEU 170 Ca 0.06 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3kay s LEU 170 Cb -0.12 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3kay s LEU 170 CO 0.01 0.28 -0.03 -0.70 0.23 0.00 0.00 176.35 176.14 3kay s GLU 171 N -0.30 0.90 0.25 1.70 2.12 0.16 -1.31 118.70 122.22 3kay s GLU 171 Ca 0.03 -0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.36 3kay s GLU 171 Cb -0.13 -1.06 -0.05 0.00 0.26 0.00 0.00 34.13 33.15 3kay s GLU 171 CO 0.03 -0.21 -0.04 -1.54 -0.54 0.00 0.00 175.26 172.96 3kay s SER 172 N 1.50 2.33 0.12 -1.70 1.04 -0.57 -0.81 113.70 115.61 3kay s SER 172 Ca -0.01 -1.19 -0.12 0.00 0.48 0.00 0.00 55.95 55.11 3kay s SER 172 Cb -0.13 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.91 3kay s SER 172 CO -0.04 -0.41 0.30 -0.72 0.98 0.00 0.00 173.24 173.35 3kay s TYR 173 N -3.19 0.02 0.02 5.02 -0.85 -0.92 -1.55 117.35 115.90 3kay s TYR 173 Ca 0.28 -0.40 0.05 0.00 -0.52 0.00 0.00 57.07 56.48 3kay s TYR 173 Cb 0.04 0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.45 3kay s TYR 173 CO 0.10 -0.64 -0.15 0.54 -1.52 0.00 0.00 175.55 173.88 3kay s VAL 174 N -3.85 1.21 0.06 -3.49 0.11 0.17 -2.70 120.40 111.91 3kay s VAL 174 Ca 0.06 -0.87 -0.19 0.00 -2.93 0.00 0.00 61.98 58.04 3kay s VAL 174 Cb 0.03 -1.05 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3kay s VAL 174 CO -0.10 0.17 0.43 0.54 -3.33 0.00 0.00 175.10 172.81 3kay s VAL 175 N -0.63 0.05 0.45 2.04 0.11 -0.02 -0.72 120.40 121.69 3kay s VAL 175 Ca 0.04 -0.43 -0.24 0.00 -2.93 0.00 0.00 61.98 58.42 3kay s VAL 175 Cb -0.07 -0.99 -0.07 0.00 -1.53 0.00 0.00 36.38 33.72 3kay s VAL 175 CO 0.01 -0.24 1.25 -1.81 -3.33 0.00 0.00 175.10 170.98 3kay s ASP 176 N -2.11 6.08 -0.30 3.54 1.11 -0.37 -1.28 116.67 123.32 3kay s ASP 176 Ca -0.04 2.52 -0.16 0.00 0.18 0.00 0.00 52.55 55.04 3kay s ASP 176 Cb -0.00 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 3kay s ASP 176 CO -0.04 -1.00 0.44 -0.69 1.18 0.00 0.00 175.17 175.07 3kay s VAL 177 N -1.39 5.10 0.24 -1.27 1.01 0.01 -4.59 120.40 119.52 3kay s VAL 177 Ca 0.62 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 3kay s VAL 177 Cb -0.34 -3.83 -0.14 0.00 0.00 0.00 0.00 36.38 32.07 3kay s VAL 177 CO 0.43 -0.01 1.21 -2.65 0.00 0.00 0.00 175.10 174.07 3kay n PRO 178 N 5.51 1.58 -1.87 2.72 -0.02 -1.26 -4.85 135.00 136.80 3kay n PRO 178 Ca -0.07 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 3kay n PRO 178 Cb 0.50 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3kay n PRO 178 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3kay s GLU 179 N -0.86 4.19 0.00 -0.52 2.12 -1.26 -1.45 118.70 120.91 3kay s GLU 179 Ca 0.66 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.42 3kay s GLU 179 Cb -0.72 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 30.46 3kay s GLU 179 CO 0.55 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 3kay n GLY 180 N 3.86 0.86 3.37 -1.50 0.00 -1.26 -5.07 105.19 105.44 3kay n GLY 180 Ca 0.15 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 3kay n GLY 180 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kay s ASN 181 N -2.04 3.04 0.37 1.61 -0.87 -0.53 -5.13 114.94 111.39 3kay s ASN 181 Ca 0.00 -0.81 -0.14 0.00 -1.57 0.00 0.00 52.86 50.33 3kay s ASN 181 Cb 0.00 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.25 40.95 3kay s ASN 181 CO 0.00 0.08 0.79 -0.94 -2.57 0.00 0.00 177.10 174.45 3kay s SER 182 N -2.43 6.71 0.21 -1.22 1.04 -1.26 -4.82 113.70 111.93 3kay s SER 182 Ca 0.16 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.78 3kay s SER 182 Cb -0.08 -2.39 0.27 0.00 0.10 0.00 0.00 66.02 63.93 3kay s SER 182 CO 0.07 -0.30 1.66 -0.08 0.98 0.00 0.00 173.24 175.57 3kay h GLU 183 N 1.85 0.10 -0.71 4.02 4.81 -1.98 -2.64 114.58 120.03 3kay h GLU 183 Ca -0.48 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 3kay h GLU 183 Cb 1.18 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 3kay h GLU 183 CO 0.64 0.06 0.37 0.93 -0.73 0.00 0.00 179.01 180.29 3kay h GLU 184 N 0.10 0.63 -0.23 1.92 3.07 -1.98 -0.35 114.58 117.73 3kay h GLU 184 Ca 0.31 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.10 3kay h GLU 184 Cb 0.50 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3kay h GLU 184 CO -0.53 0.41 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.05 3kay h ASP 185 N 0.65 0.40 -0.26 1.42 3.45 -1.87 0.19 116.42 120.39 3kay h ASP 185 Ca 0.34 -0.31 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 3kay h ASP 185 Cb 0.31 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 3kay h ASP 185 CO -0.24 0.62 -0.03 0.00 -1.57 0.00 0.00 179.24 178.01 3kay h THR 186 N 0.18 1.22 -0.17 0.35 1.03 -1.38 -2.54 112.91 111.60 3kay h THR 186 Ca 0.07 -0.93 -0.05 0.00 -0.01 0.00 0.00 66.41 65.49 3kay h THR 186 Cb 0.41 0.98 -0.00 0.00 -1.07 0.00 0.00 68.15 68.46 3kay h THR 186 CO 0.01 0.32 -0.08 -0.09 -0.01 0.00 0.00 175.52 175.67 3kay h ARG 187 N 0.58 0.36 -0.99 0.00 2.43 -0.62 -1.94 114.38 114.19 3kay h ARG 187 Ca 0.12 -0.15 0.17 0.00 -0.81 0.00 0.00 59.98 59.30 3kay h ARG 187 Cb 0.42 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.86 3kay h ARG 187 CO 0.02 0.66 0.62 -0.07 -1.51 0.00 0.00 179.97 179.69 3kay h LEU 188 N 0.05 0.78 0.26 3.80 3.38 -0.54 0.15 115.31 123.19 3kay h LEU 188 Ca 0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kay h LEU 188 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kay h LEU 188 CO 0.02 0.32 -0.13 0.15 0.09 0.00 0.00 178.44 178.90 3kay h PHE 189 N 0.79 -0.32 -0.69 1.13 3.04 -1.19 -1.47 116.94 118.22 3kay h PHE 189 Ca 0.54 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.55 3kay h PHE 189 Cb 0.81 0.11 -0.06 0.00 2.56 0.00 0.00 35.95 39.37 3kay h PHE 189 CO -0.00 0.04 0.38 0.00 -2.02 0.00 0.00 178.31 176.71 3kay h ALA 190 N -0.42 0.92 -0.43 2.41 0.00 -1.20 -2.55 119.26 118.00 3kay h ALA 190 Ca -0.04 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3kay h ALA 190 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kay h ALA 190 CO 0.06 0.06 -0.21 -0.44 0.00 0.00 0.00 179.25 178.71 3kay h ASP 191 N 0.70 0.93 -0.61 0.00 3.32 -1.02 -1.57 116.42 118.16 3kay h ASP 191 Ca 0.31 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3kay h ASP 191 Cb 0.20 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3kay h ASP 191 CO -0.19 1.13 0.40 0.74 -1.72 0.00 0.00 179.24 179.59 3kay h THR 192 N 0.72 1.17 -0.04 0.35 2.02 -0.87 -0.76 112.91 115.50 3kay h THR 192 Ca 0.09 -0.32 -0.24 0.00 0.77 0.00 0.00 66.41 66.71 3kay h THR 192 Cb 0.78 0.28 0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3kay h THR 192 CO 0.06 0.16 -0.93 -0.37 0.37 0.00 0.00 175.52 174.82 3kay h VAL 193 N 0.83 1.33 -0.92 3.16 -1.51 -1.31 -2.33 116.25 115.49 3kay h VAL 193 Ca 0.22 -2.24 0.04 0.00 -1.23 0.00 0.00 66.70 63.49 3kay h VAL 193 Cb -0.07 2.29 -0.06 0.00 -2.13 0.00 0.00 31.29 31.32 3kay h VAL 193 CO -0.05 0.69 0.60 0.40 -1.23 0.00 0.00 177.57 177.98 3kay h ILE 194 N 0.36 1.13 -0.45 7.19 2.04 -1.13 -0.85 117.51 125.80 3kay h ILE 194 Ca -0.09 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3kay h ILE 194 Cb 1.56 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3kay h ILE 194 CO 0.18 0.21 0.24 -0.09 0.00 0.00 0.00 178.15 178.69 3kay h ARG 195 N 1.13 0.63 -0.52 2.37 2.43 -0.84 0.12 114.38 119.70 3kay h ARG 195 Ca 0.38 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 3kay h ARG 195 Cb 0.06 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3kay h ARG 195 CO -0.14 0.51 0.11 -0.07 -1.51 0.00 0.00 179.97 178.87 3kay h LEU 196 N 0.59 0.80 -0.50 3.80 3.38 -1.13 -0.99 115.31 121.25 3kay h LEU 196 Ca 0.16 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kay h LEU 196 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3kay h LEU 196 CO -0.02 0.83 0.19 0.78 0.09 0.00 0.00 178.44 180.31 3kay h ASN 197 N 0.72 0.71 -0.06 -0.43 2.35 -0.77 -0.79 115.58 117.31 3kay h ASN 197 Ca 0.16 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3kay h ASN 197 Cb 0.36 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3kay h ASN 197 CO 0.00 0.70 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.35 3kay h LEU 198 N 0.68 0.27 -0.34 1.61 3.38 -0.86 0.25 115.31 120.30 3kay h LEU 198 Ca 0.17 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3kay h LEU 198 Cb 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kay h LEU 198 CO -0.01 0.38 -0.05 1.56 0.09 0.00 0.00 178.44 180.40 3kay h GLN 199 N 0.28 0.64 0.03 1.13 4.20 -0.46 -1.39 115.11 119.54 3kay h GLN 199 Ca 0.06 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3kay h GLN 199 Cb 0.30 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3kay h GLN 199 CO 0.01 0.79 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.73 3kay h LYS 200 N 0.43 -0.03 -0.86 1.46 3.64 -0.67 -2.01 116.57 118.52 3kay h LYS 200 Ca 0.09 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.68 3kay h LYS 200 Cb 0.54 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.24 3kay h LYS 200 CO 0.03 -0.01 0.33 1.25 -2.27 0.00 0.00 179.45 178.78 3kay h LEU 201 N -0.05 0.22 -0.49 5.20 5.85 -0.45 0.09 115.31 125.69 3kay h LEU 201 Ca -0.00 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kay h LEU 201 Cb 0.04 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3kay h LEU 201 CO 0.01 -0.02 0.30 0.00 -0.34 0.00 0.00 178.44 178.38 3kay h ALA 202 N 1.69 0.63 0.52 1.25 0.00 -0.64 -1.28 119.26 121.43 3kay h ALA 202 Ca 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 3kay h ALA 202 Cb 0.98 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kay h ALA 202 CO -0.54 0.11 -0.25 0.77 0.00 0.00 0.00 179.25 179.34 3kay h SER 203 N 0.66 -0.59 -0.78 0.00 0.02 -0.37 0.30 113.55 112.80 3kay h SER 203 Ca 0.18 -0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.21 3kay h SER 203 Cb -0.02 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.58 3kay h SER 203 CO -0.03 -0.22 0.33 0.40 -1.14 0.00 0.00 176.83 176.17 3kay h ILE 204 N -1.02 0.66 -0.20 3.27 5.03 -1.11 0.37 117.51 124.51 3kay h ILE 204 Ca -0.07 -0.16 -0.20 0.00 -0.12 0.00 0.00 64.86 64.31 3kay h ILE 204 Cb 0.61 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 34.55 3kay h ILE 204 CO 0.12 0.09 -0.66 0.74 -0.68 0.00 0.00 178.15 177.75 3kay h THR 205 N 0.47 1.29 0.00 -0.27 2.02 -1.17 -2.48 112.91 112.78 3kay h THR 205 Ca 0.43 -1.88 -0.08 0.00 0.77 0.00 0.00 66.41 65.65 3kay h THR 205 Cb 0.65 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3kay h THR 205 CO -0.40 0.60 -0.37 -0.33 0.37 0.00 0.00 175.52 175.39 3kay h GLU 206 N 0.55 0.00 -0.56 6.66 5.08 0.37 -2.73 114.58 123.95 3kay h GLU 206 Ca -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 3kay h GLU 206 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 3kay h GLU 206 CO 0.14 0.37 -0.07 0.00 -1.00 0.00 0.00 179.01 178.45 3kay h ALA 207 N 1.63 0.81 0.00 3.43 0.00 -0.06 -2.98 119.26 122.08 3kay h ALA 207 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3kay h ALA 207 Cb 0.76 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kay h ALA 207 CO 0.05 0.67 -0.03 0.52 0.00 0.00 0.00 179.25 180.46 3kay h MET 208 N 0.93 0.00 -0.32 0.00 2.86 -1.14 -2.12 114.93 115.14 3kay h MET 208 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3kay h MET 208 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3kay h MET 208 CO 0.04 0.03 0.00 -1.71 1.06 0.00 0.00 176.91 176.33 3kay n ASN 209 N -3.18 2.42 -3.04 1.22 5.15 -1.13 -4.11 115.26 112.59 3kay n ASN 209 Ca -0.01 -1.88 -0.18 0.00 -0.60 0.00 0.00 54.58 51.92 3kay n ASN 209 Cb 0.25 -0.21 -0.02 0.00 -0.53 0.00 0.00 39.78 39.27 3kay n ASN 209 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3kay n ARG 210 N 0.82 0.79 0.00 1.20 0.00 -0.80 -5.09 116.66 113.58 3kay n ARG 210 Ca 0.17 -2.77 0.00 0.00 -0.00 0.00 0.00 57.85 55.25 3kay n ARG 210 Cb 0.43 -1.34 0.00 0.00 -0.00 0.00 0.00 32.46 31.55 3kay n ARG 210 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92