#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb4 s THR 6 N 0.00 4.58 0.26 7.28 -1.32 -1.26 -4.87 115.64 120.31 3kb4 s THR 6 Ca 0.00 1.11 -0.01 0.00 -1.21 0.00 0.00 61.69 61.58 3kb4 s THR 6 Cb 0.00 -3.77 0.24 0.00 -1.51 0.00 0.00 72.50 67.47 3kb4 s THR 6 CO 0.00 -0.83 1.74 0.06 -2.21 0.00 0.00 174.62 173.37 3kb4 h GLN 7 N 0.53 0.49 -0.49 7.08 -0.00 -2.06 -0.68 115.11 119.98 3kb4 h GLN 7 Ca -0.46 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.07 3kb4 h GLN 7 Cb 1.19 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.48 28.54 3kb4 h GLN 7 CO 0.62 0.32 -0.06 0.66 -0.00 0.00 0.00 178.83 180.37 3kb4 h SER 8 N 0.50 0.90 -0.32 0.06 4.64 -1.99 -2.05 113.55 115.28 3kb4 h SER 8 Ca 0.46 -0.33 0.06 0.00 -0.47 0.00 0.00 61.79 61.51 3kb4 h SER 8 Cb 0.72 -0.24 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 3kb4 h SER 8 CO -0.41 1.02 -0.05 -0.61 -0.87 0.00 0.00 176.83 175.91 3kb4 h GLN 9 N 0.76 0.03 -0.88 4.77 5.75 -1.57 -0.51 115.11 123.46 3kb4 h GLN 9 Ca 0.13 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.65 3kb4 h GLN 9 Cb 0.59 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.09 3kb4 h GLN 9 CO 0.04 0.02 0.58 1.49 -2.65 0.00 0.00 178.83 178.31 3kb4 h GLU 10 N 0.03 1.12 -0.60 1.69 4.81 -0.96 -1.78 114.58 118.90 3kb4 h GLU 10 Ca 0.16 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3kb4 h GLU 10 Cb 0.23 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3kb4 h GLU 10 CO -0.31 0.74 0.12 1.15 -0.73 0.00 0.00 179.01 179.98 3kb4 h THR 11 N 1.15 1.26 -0.29 0.32 2.02 -0.59 -0.72 112.91 116.05 3kb4 h THR 11 Ca 0.34 -0.96 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 3kb4 h THR 11 Cb -0.07 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3kb4 h THR 11 CO -0.09 0.36 -0.19 0.00 0.37 0.00 0.00 175.52 175.97 3kb4 h ALA 12 N 1.03 1.13 0.42 6.16 0.00 -0.73 -1.05 119.26 126.22 3kb4 h ALA 12 Ca 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3kb4 h ALA 12 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kb4 h ALA 12 CO 0.01 0.54 -0.20 0.82 0.00 0.00 0.00 179.25 180.42 3kb4 h ILE 13 N 0.48 0.48 -0.64 0.00 1.08 -1.01 -2.76 117.51 115.14 3kb4 h ILE 13 Ca 0.08 -0.52 0.07 0.00 -0.39 0.00 0.00 64.86 64.10 3kb4 h ILE 13 Cb 0.60 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 3kb4 h ILE 13 CO 0.04 0.08 0.42 -0.07 -0.69 0.00 0.00 178.15 177.93 3kb4 h LEU 14 N -0.91 0.54 -0.42 1.44 4.07 -1.10 0.34 115.31 119.27 3kb4 h LEU 14 Ca -0.06 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.81 3kb4 h LEU 14 Cb 0.56 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 3kb4 h LEU 14 CO 0.09 0.35 -0.10 -0.08 -1.08 0.00 0.00 178.44 177.62 3kb4 h GLU 15 N 0.61 0.81 -0.29 1.13 4.81 -1.20 -0.74 114.58 119.71 3kb4 h GLU 15 Ca 0.28 -0.31 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 3kb4 h GLU 15 Cb 0.31 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3kb4 h GLU 15 CO -0.09 0.93 -0.54 0.77 -0.73 0.00 0.00 179.01 179.36 3kb4 h SER 16 N 0.63 0.97 -0.35 1.04 0.02 -1.13 -2.43 113.55 112.30 3kb4 h SER 16 Ca 0.11 -0.53 0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3kb4 h SER 16 Cb 0.63 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3kb4 h SER 16 CO 0.04 1.32 0.15 0.15 -1.14 0.00 0.00 176.83 177.35 3kb4 h PHE 17 N 0.66 0.28 -0.72 3.45 3.57 -0.81 -1.60 116.94 121.77 3kb4 h PHE 17 Ca 0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3kb4 h PHE 17 Cb 1.15 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 3kb4 h PHE 17 CO 0.07 0.13 0.37 -0.07 -2.23 0.00 0.00 178.31 176.59 3kb4 h LEU 18 N 0.32 0.91 -0.77 0.59 -0.00 -1.07 -1.88 115.31 113.42 3kb4 h LEU 18 Ca 0.16 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 3kb4 h LEU 18 Cb 0.10 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.49 3kb4 h LEU 18 CO -0.13 0.75 0.46 -0.33 -0.00 0.00 0.00 178.44 179.19 3kb4 h GLU 19 N 1.02 1.04 -0.42 1.13 5.08 -0.87 -2.28 114.58 119.28 3kb4 h GLU 19 Ca 0.25 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 3kb4 h GLU 19 Cb 0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3kb4 h GLU 19 CO -0.04 0.74 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.46 3kb4 h LEU 20 N 1.05 0.82 -0.73 1.33 3.38 -0.87 -2.29 115.31 118.00 3kb4 h LEU 20 Ca 0.28 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3kb4 h LEU 20 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3kb4 h LEU 20 CO -0.05 1.00 0.09 0.58 0.09 0.00 0.00 178.44 180.15 3kb4 h VAL 21 N 0.72 1.26 -0.41 1.22 2.07 -0.99 -2.52 116.25 117.59 3kb4 h VAL 21 Ca 0.11 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3kb4 h VAL 21 Cb 0.70 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3kb4 h VAL 21 CO 0.05 0.39 0.00 0.29 0.02 0.00 0.00 177.57 178.32 3kb4 n LYS 22 N -4.21 2.01 -4.36 1.57 5.02 -0.89 -4.82 118.16 112.47 3kb4 n LYS 22 Ca 0.04 -1.51 -0.25 0.00 -2.02 0.00 0.00 58.31 54.57 3kb4 n LYS 22 Cb 0.29 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 3kb4 n LYS 22 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3kb4 s SER 23 N -0.98 3.98 0.83 4.39 0.15 -0.87 -5.06 113.70 116.14 3kb4 s SER 23 Ca 0.28 -0.76 -0.12 0.00 0.70 0.00 0.00 55.95 56.05 3kb4 s SER 23 Cb 0.15 -0.55 0.09 0.00 -1.71 0.00 0.00 66.02 64.00 3kb4 s SER 23 CO 0.19 0.07 1.11 -2.16 1.20 0.00 0.00 173.24 173.64 3kb4 s PRO 24 N -3.13 1.83 0.81 5.44 0.04 -1.26 -4.92 135.00 133.81 3kb4 s PRO 24 Ca 0.27 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 3kb4 s PRO 24 Cb -0.07 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.65 3kb4 s PRO 24 CO 0.15 -1.78 1.19 0.71 0.04 0.00 0.00 177.00 177.32 3kb4 s TYR 25 N -3.19 1.84 -0.56 0.56 1.51 -1.26 -3.59 117.35 112.66 3kb4 s TYR 25 Ca 0.62 1.67 0.00 0.00 -1.01 0.00 0.00 57.07 58.35 3kb4 s TYR 25 Cb -0.14 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.26 3kb4 s TYR 25 CO 0.54 -2.77 0.00 0.41 -1.11 0.00 0.00 175.55 172.62 3kb4 n GLY 26 N 0.38 0.56 3.18 0.71 0.00 -1.26 -4.94 105.19 103.82 3kb4 n GLY 26 Ca 0.13 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 3kb4 n GLY 26 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kb4 n ASN 27 N 1.02 4.74 -0.28 1.61 2.85 -1.24 -4.79 115.26 119.17 3kb4 n ASN 27 Ca -0.06 -2.95 0.07 0.00 -0.11 0.00 0.00 54.58 51.53 3kb4 n ASN 27 Cb 0.32 -1.63 0.29 0.00 1.24 0.00 0.00 39.78 40.00 3kb4 n ASN 27 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 3kb4 h PHE 28 N 6.69 0.95 -0.17 1.20 0.04 -1.94 -1.43 116.94 122.29 3kb4 h PHE 28 Ca 0.44 0.03 0.03 0.00 2.80 0.00 0.00 57.97 61.27 3kb4 h PHE 28 Cb 0.76 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 3kb4 h PHE 28 CO 1.33 0.45 -0.01 0.00 -0.60 0.00 0.00 178.31 179.48 3kb4 h ALA 29 N 1.55 0.13 -0.01 2.45 0.00 -2.00 0.43 119.26 121.81 3kb4 h ALA 29 Ca 0.40 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 3kb4 h ALA 29 Cb 0.36 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kb4 h ALA 29 CO -0.17 -0.45 -0.54 0.77 0.00 0.00 0.00 179.25 178.86 3kb4 h SER 30 N 0.04 0.04 -0.22 0.00 0.02 -1.82 -2.10 113.55 109.50 3kb4 h SER 30 Ca 0.08 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3kb4 h SER 30 Cb 0.11 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3kb4 h SER 30 CO -0.15 0.57 0.12 0.40 -1.14 0.00 0.00 176.83 176.63 3kb4 h ILE 31 N 0.03 1.12 -0.47 3.27 1.08 -0.70 0.43 117.51 122.26 3kb4 h ILE 31 Ca -0.00 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 3kb4 h ILE 31 Cb 0.97 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 3kb4 h ILE 31 CO 0.07 0.12 0.27 1.23 -0.69 0.00 0.00 178.15 179.15 3kb4 h GLY 32 N 0.24 0.66 0.54 5.37 0.00 -0.76 0.58 103.07 109.71 3kb4 h GLY 32 Ca 0.08 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.25 3kb4 h GLY 32 CO -0.01 0.17 -0.09 1.70 0.00 0.00 0.00 176.54 178.31 3kb4 h LYS 33 N 0.55 -0.07 -0.81 4.80 3.64 -1.01 -0.57 116.57 123.10 3kb4 h LYS 33 Ca 0.19 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3kb4 h LYS 33 Cb 0.03 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3kb4 h LYS 33 CO -0.09 -0.05 0.47 1.25 -2.27 0.00 0.00 179.45 178.76 3kb4 h LEU 34 N -0.07 0.98 -0.56 5.20 5.85 -0.37 -2.78 115.31 123.56 3kb4 h LEU 34 Ca 0.10 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3kb4 h LEU 34 Cb 0.22 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3kb4 h LEU 34 CO -0.22 0.76 0.21 -1.28 -0.34 0.00 0.00 178.44 177.57 3kb4 h SER 35 N 1.11 0.78 -0.28 1.25 0.87 0.02 0.56 113.55 117.87 3kb4 h SER 35 Ca 0.29 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3kb4 h SER 35 Cb -0.02 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3kb4 h SER 35 CO -0.05 0.75 0.19 0.45 -0.53 0.00 0.00 176.83 177.63 3kb4 h HIS 36 N 0.76 0.34 0.00 2.24 3.86 -0.86 -0.21 115.15 121.28 3kb4 h HIS 36 Ca 0.18 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.24 3kb4 h HIS 36 Cb 0.22 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 3kb4 h HIS 36 CO 0.01 0.21 -1.72 0.28 0.86 0.00 0.00 177.93 177.57 3kb4 n VAL 37 N -4.50 0.93 -0.03 2.45 0.31 -1.03 -4.51 118.33 111.95 3kb4 n VAL 37 Ca 0.01 -0.68 -0.22 0.00 -0.01 0.00 0.00 64.34 63.45 3kb4 n VAL 37 Cb 0.08 -0.49 -0.13 0.00 -0.91 0.00 0.00 33.84 32.39 3kb4 n VAL 37 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3kb4 h LEU 38 N 0.00 0.29 -7.82 7.52 3.38 -0.71 -3.42 115.31 114.55 3kb4 h LEU 38 Ca -0.20 -0.80 -0.74 0.00 0.09 0.00 0.00 57.88 56.23 3kb4 h LEU 38 Cb 1.56 -0.09 -0.21 0.00 0.09 0.00 0.00 40.66 42.00 3kb4 h LEU 38 CO 0.03 1.69 0.70 0.20 0.09 0.00 0.00 178.44 181.15 3kb4 s ASN 39 N -6.99 6.87 0.92 -0.43 0.02 -0.11 -4.88 114.94 110.35 3kb4 s ASN 39 Ca -0.24 -2.67 -0.13 0.00 -1.02 0.00 0.00 52.86 48.81 3kb4 s ASN 39 Cb 0.06 -2.32 0.15 0.00 0.02 0.00 0.00 41.25 39.15 3kb4 s ASN 39 CO 0.72 -0.74 1.17 1.51 0.02 0.00 0.00 177.10 179.77 3kb4 s ASP 40 N 2.71 3.45 0.37 -1.22 -4.77 -1.26 -4.72 116.67 111.23 3kb4 s ASP 40 Ca 0.31 0.82 0.10 0.00 -3.30 0.00 0.00 52.55 50.47 3kb4 s ASP 40 Cb -0.06 -1.29 0.85 0.00 -1.09 0.00 0.00 42.92 41.32 3kb4 s ASP 40 CO -0.07 -2.58 1.89 -0.65 0.70 0.00 0.00 175.17 174.47 3kb4 h PRO 41 N -1.52 0.64 -0.20 2.11 0.11 -1.95 -0.92 132.00 130.27 3kb4 h PRO 41 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3kb4 h PRO 41 Cb 1.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3kb4 h PRO 41 CO 0.58 0.42 0.11 0.22 -0.21 0.00 0.00 178.00 179.12 3kb4 h ASP 42 N 0.65 0.24 -0.22 -2.05 -0.00 -2.00 -1.12 116.42 111.93 3kb4 h ASP 42 Ca 0.41 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.03 57.37 3kb4 h ASP 42 Cb 0.67 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.93 3kb4 h ASP 42 CO -0.17 0.24 0.12 0.74 -0.00 0.00 0.00 179.24 180.16 3kb4 h THR 43 N 0.23 1.11 -0.88 2.25 2.02 -1.63 -2.59 112.91 113.42 3kb4 h THR 43 Ca 0.07 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 67.01 3kb4 h THR 43 Cb 0.04 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 3kb4 h THR 43 CO -0.01 0.11 0.56 -0.07 0.37 0.00 0.00 175.52 176.47 3kb4 h LEU 44 N 0.25 0.90 -1.14 2.58 4.07 -1.07 -1.79 115.31 119.11 3kb4 h LEU 44 Ca 0.08 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 3kb4 h LEU 44 Cb 0.06 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 3kb4 h LEU 44 CO -0.01 0.59 0.01 -0.61 -1.08 0.00 0.00 178.44 177.34 3kb4 h GLN 45 N 1.04 0.61 -0.09 1.13 5.75 -1.01 -0.13 115.11 122.40 3kb4 h GLN 45 Ca 0.37 -0.14 -0.13 0.00 -0.15 0.00 0.00 58.65 58.60 3kb4 h GLN 45 Cb 0.10 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3kb4 h GLN 45 CO -0.15 0.62 -0.54 0.87 -2.65 0.00 0.00 178.83 176.99 3kb4 h LYS 46 N 0.58 0.27 -0.17 1.69 1.57 -0.96 -1.34 116.57 118.21 3kb4 h LYS 46 Ca 0.12 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3kb4 h LYS 46 Cb 0.36 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3kb4 h LYS 46 CO 0.01 0.74 -0.09 0.28 -0.57 0.00 0.00 179.45 179.82 3kb4 h VAL 47 N 0.21 1.31 -0.83 0.50 2.07 -0.79 -0.45 116.25 118.26 3kb4 h VAL 47 Ca 0.00 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.43 3kb4 h VAL 47 Cb 1.02 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 3kb4 h VAL 47 CO 0.08 0.34 0.53 0.58 0.02 0.00 0.00 177.57 179.12 3kb4 h VAL 48 N 0.04 1.09 0.17 2.57 2.07 -0.91 -0.87 116.25 120.41 3kb4 h VAL 48 Ca 0.04 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3kb4 h VAL 48 Cb 0.57 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3kb4 h VAL 48 CO 0.03 0.18 -0.08 0.00 0.02 0.00 0.00 177.57 177.72 3kb4 h ALA 49 N 1.37 -0.22 -0.37 1.67 0.00 -1.10 -1.35 119.26 119.25 3kb4 h ALA 49 Ca 0.35 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3kb4 h ALA 49 Cb 0.08 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3kb4 h ALA 49 CO -0.14 -0.52 0.15 0.28 0.00 0.00 0.00 179.25 179.02 3kb4 h VAL 50 N -0.44 0.93 0.00 0.00 2.07 -0.84 -1.87 116.25 116.10 3kb4 h VAL 50 Ca -0.02 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3kb4 h VAL 50 Cb 0.34 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3kb4 h VAL 50 CO 0.04 0.06 -0.19 -0.07 0.02 0.00 0.00 177.57 177.43 3kb4 h LEU 51 N 0.32 0.00 0.00 2.57 3.38 -1.14 -2.28 115.31 118.16 3kb4 h LEU 51 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kb4 h LEU 51 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kb4 h LEU 51 CO -0.15 0.19 0.00 -1.20 0.09 0.00 0.00 178.44 177.37 3kb4 n SER 52 N -4.22 0.00 0.00 -0.43 7.64 -0.51 -3.53 113.62 112.57 3kb4 n SER 52 Ca -0.02 -0.74 0.12 0.00 1.01 0.00 0.00 58.87 59.24 3kb4 n SER 52 Cb 0.26 -0.08 0.70 0.00 -1.01 0.00 0.00 64.21 64.08 3kb4 n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kb4 n LEU 53 N -1.08 0.00 -4.38 -3.43 4.77 -0.86 -4.14 117.00 107.88 3kb4 n LEU 53 Ca 0.21 0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.94 3kb4 n LEU 53 Cb 0.15 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 3kb4 n LEU 53 CO 0.19 -0.00 -0.53 0.42 -1.33 0.00 0.00 177.39 176.13 3kb4 s THR 54 N -2.02 2.17 0.31 -5.08 -4.23 -1.23 -5.04 115.64 100.51 3kb4 s THR 54 Ca 0.35 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 3kb4 s THR 54 Cb 0.16 -1.97 0.27 0.00 1.34 0.00 0.00 72.50 72.30 3kb4 s THR 54 CO 0.28 -0.07 1.97 1.55 -0.54 0.00 0.00 174.62 177.80 3kb4 h PRO 55 N 3.53 1.02 -0.39 3.99 0.13 -1.91 -1.45 132.00 136.93 3kb4 h PRO 55 Ca -0.47 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.47 3kb4 h PRO 55 Cb 1.19 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3kb4 h PRO 55 CO 0.45 0.68 -0.27 0.37 -0.23 0.00 0.00 178.00 178.99 3kb4 h GLN 56 N 1.05 0.82 0.14 0.86 4.15 -1.95 -2.30 115.11 117.89 3kb4 h GLN 56 Ca 0.30 -0.36 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3kb4 h GLN 56 Cb -0.07 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3kb4 h GLN 56 CO -0.07 0.99 -0.07 0.78 -1.93 0.00 0.00 178.83 178.53 3kb4 h GLY 57 N 0.93 -0.20 1.22 2.39 0.00 -1.60 -2.26 103.07 103.55 3kb4 h GLY 57 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.50 3kb4 h GLY 57 CO 0.07 -0.07 0.52 0.07 0.00 0.00 0.00 176.54 177.13 3kb4 h LYS 58 N -0.68 1.03 -0.17 4.80 5.09 -1.34 -1.49 116.57 123.80 3kb4 h LYS 58 Ca -0.02 -0.06 -0.09 0.00 0.09 0.00 0.00 60.65 60.57 3kb4 h LYS 58 Cb 0.50 -0.23 -0.01 0.00 0.10 0.00 0.00 32.23 32.59 3kb4 h LYS 58 CO 0.03 0.68 -0.29 0.37 -2.09 0.00 0.00 179.45 178.15 3kb4 h GLN 59 N 1.06 0.32 -0.60 0.07 4.15 -1.44 -2.69 115.11 115.98 3kb4 h GLN 59 Ca 0.29 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 3kb4 h GLN 59 Cb -0.11 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3kb4 h GLN 59 CO -0.06 0.58 0.06 0.00 -1.93 0.00 0.00 178.83 177.48 3kb4 h ALA 60 N 1.42 0.98 0.00 3.38 0.00 -0.66 -0.03 119.26 124.35 3kb4 h ALA 60 Ca 0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3kb4 h ALA 60 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3kb4 h ALA 60 CO 0.05 0.63 -0.50 0.74 0.00 0.00 0.00 179.25 180.18 3kb4 h PHE 61 N 0.92 0.00 0.01 0.00 0.04 -1.13 0.57 116.94 117.37 3kb4 h PHE 61 Ca 0.18 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.67 3kb4 h PHE 61 Cb 0.45 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 3kb4 h PHE 61 CO 0.03 0.50 -1.58 1.05 -0.60 0.00 0.00 178.31 177.71 3kb4 h GLU 62 N 0.00 0.03 0.00 1.51 4.11 -1.27 -3.36 114.58 115.59 3kb4 h GLU 62 Ca -0.00 -0.05 -0.29 0.00 0.07 0.00 0.00 59.36 59.08 3kb4 h GLU 62 Cb 0.90 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 3kb4 h GLU 62 CO 0.06 0.66 -1.82 -0.25 0.07 0.00 0.00 179.01 177.73 3kb4 n ASP 63 N -3.15 0.69 -3.51 3.06 10.43 -0.05 -5.02 116.55 119.01 3kb4 n ASP 63 Ca -0.14 0.33 -0.21 0.00 2.57 0.00 0.00 54.79 57.34 3kb4 n ASP 63 Cb 1.03 0.18 0.03 0.00 1.84 0.00 0.00 41.12 44.20 3kb4 n ASP 63 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3kb4 n ARG 64 N -2.97 -1.39 -1.27 -1.24 1.74 0.20 -5.06 116.66 106.68 3kb4 n ARG 64 Ca -0.19 0.82 -0.30 0.00 -0.77 0.00 0.00 57.85 57.41 3kb4 n ARG 64 Cb 1.05 -4.31 0.22 0.00 -1.02 0.00 0.00 32.46 28.40 3kb4 n ARG 64 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kb4 s PRO 65 N -4.87 -0.62 -0.27 5.56 0.04 -1.26 -5.09 135.00 128.49 3kb4 s PRO 65 Ca 0.26 -0.06 -0.10 0.00 0.04 0.00 0.00 61.00 61.14 3kb4 s PRO 65 Cb -0.08 -1.67 -0.13 0.00 0.04 0.00 0.00 34.50 32.66 3kb4 s PRO 65 CO 0.83 -3.31 -0.32 1.28 0.04 0.00 0.00 177.00 175.52 3kb4 n LEU 67 N -4.48 2.20 0.00 -3.56 4.77 -1.26 -4.97 117.00 109.70 3kb4 n LEU 67 Ca 0.12 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3kb4 n LEU 67 Cb 0.59 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3kb4 n LEU 67 CO 0.47 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3kb4 n GLY 68 N 1.50 -2.22 3.72 -0.72 0.00 -1.26 -4.78 105.19 101.42 3kb4 n GLY 68 Ca -0.52 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 3kb4 n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kb4 s LYS 69 N -0.24 4.17 -0.15 1.61 2.20 -1.26 -4.86 119.74 121.22 3kb4 s LYS 69 Ca 0.00 2.47 -0.03 0.00 -0.36 0.00 0.00 55.97 58.05 3kb4 s LYS 69 Cb 0.00 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 3kb4 s LYS 69 CO 0.00 -0.67 -0.05 0.42 -0.36 0.00 0.00 175.35 174.69 3kb4 s ILE 70 N 1.15 3.79 -0.77 5.43 -1.09 -1.26 -5.06 121.20 123.38 3kb4 s ILE 70 Ca 0.72 -0.40 -0.07 0.00 -2.23 0.00 0.00 60.65 58.68 3kb4 s ILE 70 Cb -0.46 -2.65 0.20 0.00 -1.58 0.00 0.00 42.46 37.96 3kb4 s ILE 70 CO 0.32 0.50 0.65 -0.62 -1.23 0.00 0.00 174.94 174.56 3kb4 s ASP 71 N 0.30 5.99 0.16 3.58 3.68 -1.26 -4.96 116.67 124.16 3kb4 s ASP 71 Ca -0.04 -3.01 -0.24 0.00 2.13 0.00 0.00 52.55 51.39 3kb4 s ASP 71 Cb -0.14 -2.00 0.04 0.00 -1.45 0.00 0.00 42.92 39.37 3kb4 s ASP 71 CO 0.03 -0.39 1.60 -0.07 0.13 0.00 0.00 175.17 176.47 3kb4 h LEU 72 N 7.06 -1.09 -1.50 -1.34 4.07 -1.99 -1.45 115.31 119.06 3kb4 h LEU 72 Ca 0.07 0.19 0.09 0.00 0.08 0.00 0.00 57.88 58.30 3kb4 h LEU 72 Cb 0.95 0.50 -0.04 0.00 1.08 0.00 0.00 40.66 43.15 3kb4 h LEU 72 CO 0.77 -0.33 0.45 1.05 -1.08 0.00 0.00 178.44 179.30 3kb4 h GLU 73 N -0.28 0.55 0.12 1.13 -0.00 -1.98 -0.50 114.58 113.63 3kb4 h GLU 73 Ca 0.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.36 59.48 3kb4 h GLU 73 Cb 0.54 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.17 3kb4 h GLU 73 CO -0.51 0.37 -0.06 0.37 -0.00 0.00 0.00 179.01 179.18 3kb4 h GLN 74 N 0.57 -0.15 -0.24 1.06 4.15 -1.73 -2.90 115.11 115.88 3kb4 h GLN 74 Ca 0.31 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.81 3kb4 h GLN 74 Cb 0.45 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3kb4 h GLN 74 CO -0.10 0.24 0.18 -0.07 -1.93 0.00 0.00 178.83 177.15 3kb4 h LEU 75 N -0.59 0.00 0.00 -2.39 3.38 -0.79 0.95 115.31 115.87 3kb4 h LEU 75 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kb4 h LEU 75 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kb4 h LEU 75 CO 0.03 0.00 0.00 1.57 0.09 0.00 0.00 178.44 180.13 3kb4 n HIS 76 N -4.34 0.00 0.86 1.13 -0.00 -0.24 -2.14 115.22 110.48 3kb4 n HIS 76 Ca 0.03 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.33 3kb4 n HIS 76 Cb 0.33 -0.32 0.24 0.00 -0.12 0.00 0.00 29.99 30.12 3kb4 n HIS 76 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 3kb4 n GLN 77 N -1.32 2.21 -2.18 1.57 6.02 0.33 -4.93 117.38 119.07 3kb4 n GLN 77 Ca 0.10 -1.79 -0.28 0.00 -0.01 0.00 0.00 57.00 55.01 3kb4 n GLN 77 Cb 0.20 -1.47 0.04 0.00 1.02 0.00 0.00 30.24 30.02 3kb4 n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kb4 s LEU 78 N -1.74 3.10 0.37 1.08 1.43 -0.91 -5.00 118.68 117.00 3kb4 s LEU 78 Ca 0.34 0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 54.07 3kb4 s LEU 78 Cb 0.21 -3.71 -0.12 0.00 0.03 0.00 0.00 46.19 42.60 3kb4 s LEU 78 CO 0.30 -1.17 1.15 -2.65 0.23 0.00 0.00 176.35 174.22 3kb4 n PRO 79 N -2.76 1.72 0.19 1.29 -0.02 -1.26 -4.79 135.00 129.37 3kb4 n PRO 79 Ca 0.05 0.61 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 3kb4 n PRO 79 Cb 0.57 -2.17 0.61 0.00 -0.02 0.00 0.00 33.50 32.49 3kb4 n PRO 79 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3kb4 h ASN 80 N 2.06 0.00 0.05 2.55 -0.00 -1.95 -1.67 115.58 116.63 3kb4 h ASN 80 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.85 3kb4 h ASN 80 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.63 3kb4 h ASN 80 CO 0.60 0.00 -0.39 0.00 -0.00 0.00 0.00 177.43 177.64 3kb4 n TYR 81 N -3.11 0.00 -2.06 0.67 0.18 -1.26 -4.95 117.16 106.63 3kb4 n TYR 81 Ca 0.04 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.52 3kb4 n TYR 81 Cb 0.71 -0.03 -0.00 0.00 -0.38 0.00 0.00 39.34 39.64 3kb4 n TYR 81 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 3kb4 s THR 82 N -2.45 4.70 0.13 -3.48 -4.23 -0.63 -0.96 115.64 108.71 3kb4 s THR 82 Ca 0.21 0.87 -0.17 0.00 -1.18 0.00 0.00 61.69 61.42 3kb4 s THR 82 Cb 0.19 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 3kb4 s THR 82 CO 0.54 -1.02 1.70 0.25 -0.54 0.00 0.00 174.62 175.55 3kb4 h LEU 83 N -0.00 0.45 -0.40 4.79 5.85 -1.17 -2.95 115.31 121.87 3kb4 h LEU 83 Ca -0.45 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.22 3kb4 h LEU 83 Cb 1.19 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 3kb4 h LEU 83 CO 0.62 0.45 -0.04 1.23 -0.34 0.00 0.00 178.44 180.36 3kb4 h GLY 84 N 0.41 0.36 -1.46 3.75 0.00 -1.12 0.18 103.07 105.19 3kb4 h GLY 84 Ca 0.12 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3kb4 h GLY 84 CO -0.01 -0.12 0.00 2.98 0.00 0.00 0.00 176.54 179.38 3kb4 n TYR 85 N -5.24 0.00 0.00 5.60 4.19 -1.12 -1.54 117.16 119.05 3kb4 n TYR 85 Ca 0.03 -0.07 0.00 0.00 3.31 0.00 0.00 57.90 61.17 3kb4 n TYR 85 Cb 0.22 -0.08 0.00 0.00 0.49 0.00 0.00 39.34 39.97 3kb4 n TYR 85 CO 0.00 0.00 0.00 0.98 0.91 0.00 0.00 176.86 178.75 3kb4 n TYR 87 N 0.58 0.00 -0.18 2.98 4.19 0.63 -0.94 117.16 124.42 3kb4 n TYR 87 Ca 0.00 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.17 3kb4 n TYR 87 Cb 0.11 0.00 0.05 0.00 0.49 0.00 0.00 39.34 39.99 3kb4 n TYR 87 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3kb4 h ALA 88 N 0.00 0.71 -0.85 2.98 0.00 -1.51 -1.58 119.26 119.00 3kb4 h ALA 88 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kb4 h ALA 88 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3kb4 h ALA 88 CO 0.00 -0.00 0.56 0.22 0.00 0.00 0.00 179.25 180.03 3kb4 h ASP 89 N 0.60 0.94 0.00 0.00 3.58 -1.29 -1.33 116.42 118.92 3kb4 h ASP 89 Ca 0.23 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3kb4 h ASP 89 Cb 0.08 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.91 3kb4 h ASP 89 CO -0.13 0.66 0.00 1.57 -2.88 0.00 0.00 179.24 178.47 3kb4 n HIS 90 N -4.43 0.00 0.00 0.28 -0.00 -0.59 -1.74 115.22 108.74 3kb4 n HIS 90 Ca 0.10 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.26 3kb4 n HIS 90 Cb 0.07 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 3kb4 n HIS 90 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 3kb4 n ILE 92 N 0.46 0.00 0.21 3.57 -6.64 -0.50 -2.00 119.36 114.45 3kb4 n ILE 92 Ca 0.00 0.00 0.08 0.00 -1.77 0.00 0.00 62.75 61.06 3kb4 n ILE 92 Cb 0.08 0.00 0.44 0.00 -1.44 0.00 0.00 39.64 38.72 3kb4 n ILE 92 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 3kb4 h ARG 93 N 0.00 0.00 -0.47 6.28 2.43 -1.59 -2.65 114.38 118.38 3kb4 h ARG 93 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kb4 h ARG 93 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3kb4 h ARG 93 CO 0.00 0.29 0.00 0.09 -1.51 0.00 0.00 179.97 178.84 3kb4 n ASN 94 N -3.58 4.33 -4.07 -3.80 3.02 -0.85 -4.95 115.26 105.36 3kb4 n ASN 94 Ca -0.01 -2.61 -0.34 0.00 -0.03 0.00 0.00 54.58 51.60 3kb4 n ASN 94 Cb 0.43 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 3kb4 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kb4 n GLN 95 N 0.46 -3.63 -3.98 3.52 6.02 -1.00 -4.94 117.38 113.83 3kb4 n GLN 95 Ca 0.22 0.42 -0.31 0.00 -0.01 0.00 0.00 57.00 57.33 3kb4 n GLN 95 Cb 0.86 -5.19 -0.05 0.00 1.02 0.00 0.00 30.24 26.87 3kb4 n GLN 95 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kb4 s LEU 96 N -7.18 4.10 -0.09 1.08 1.43 -1.26 -5.04 118.68 111.73 3kb4 s LEU 96 Ca 0.70 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 3kb4 s LEU 96 Cb -0.37 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3kb4 s LEU 96 CO 0.86 0.18 -0.14 0.28 0.23 0.00 0.00 176.35 177.76 3kb4 s THR 97 N -1.43 3.02 0.43 5.49 -1.32 -1.26 -4.56 115.64 116.01 3kb4 s THR 97 Ca 0.31 -0.71 -0.24 0.00 -1.21 0.00 0.00 61.69 59.85 3kb4 s THR 97 Cb -0.13 -2.22 -0.10 0.00 -1.51 0.00 0.00 72.50 68.55 3kb4 s THR 97 CO 0.24 0.56 1.02 -0.81 -2.21 0.00 0.00 174.62 173.42 3kb4 n PRO 98 N 2.89 1.34 -1.92 7.08 -0.04 -1.26 -4.94 135.00 138.16 3kb4 n PRO 98 Ca -0.18 0.48 -0.38 0.00 -0.04 0.00 0.00 63.50 63.38 3kb4 n PRO 98 Cb 0.52 -2.07 0.02 0.00 -0.04 0.00 0.00 33.50 31.94 3kb4 n PRO 98 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3kb4 s PRO 99 N -2.08 3.42 0.54 0.54 0.04 -1.26 -4.99 135.00 131.21 3kb4 s PRO 99 Ca 0.64 2.14 -0.21 0.00 0.04 0.00 0.00 61.00 63.61 3kb4 s PRO 99 Cb -0.54 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.56 3kb4 s PRO 99 CO 0.56 -0.94 1.21 -1.25 0.04 0.00 0.00 177.00 176.62 3kb4 s PRO 100 N -2.75 3.30 -0.76 0.56 0.04 -1.26 -4.89 135.00 129.24 3kb4 s PRO 100 Ca 0.67 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 63.30 3kb4 s PRO 100 Cb -0.38 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 3kb4 s PRO 100 CO 0.46 -0.95 2.05 0.08 0.04 0.00 0.00 177.00 178.68 3kb4 s VAL 101 N -1.56 3.30 0.25 -0.36 1.01 -1.26 -4.95 120.40 116.83 3kb4 s VAL 101 Ca 0.72 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 3kb4 s VAL 101 Cb -0.30 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3kb4 s VAL 101 CO 0.35 -0.69 0.55 0.21 0.00 0.00 0.00 175.10 175.52 3kb4 s ASN 102 N 8.96 6.55 0.00 3.32 3.84 -1.26 -5.00 114.94 131.35 3kb4 s ASN 102 Ca 0.76 0.84 0.00 0.00 0.21 0.00 0.00 52.86 54.67 3kb4 s ASN 102 Cb -0.10 -2.19 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 3kb4 s ASN 102 CO 0.09 -0.12 0.09 -0.62 -2.79 0.00 0.00 177.10 173.75 3kb4 n GLU 103 N -0.45 -0.16 -1.67 0.43 1.02 -1.26 -4.93 120.64 113.62 3kb4 n GLU 103 Ca -0.00 -0.09 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 3kb4 n GLU 103 Cb 0.53 -0.58 -0.01 0.00 -0.02 0.00 0.00 31.44 31.36 3kb4 n GLU 103 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kb4 n ASN 104 N -0.00 3.69 -2.32 1.62 4.13 -1.26 -4.50 115.26 116.61 3kb4 n ASN 104 Ca 0.00 -2.82 -0.10 0.00 1.68 0.00 0.00 54.58 53.34 3kb4 n ASN 104 Cb 0.20 -1.58 0.04 0.00 -1.54 0.00 0.00 39.78 36.91 3kb4 n ASN 104 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3kb4 n VAL 105 N 5.31 1.80 1.57 2.41 0.24 -1.26 -4.71 118.33 123.69 3kb4 n VAL 105 Ca 0.51 -3.41 0.01 0.00 -2.04 0.00 0.00 64.34 59.42 3kb4 n VAL 105 Cb 0.40 0.16 0.03 0.00 -1.47 0.00 0.00 33.84 32.96 3kb4 n VAL 105 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3kb4 n ASN 106 N -0.62 0.61 -3.82 -1.34 3.02 -1.26 -4.50 115.26 107.35 3kb4 n ASN 106 Ca 0.24 -2.02 -0.13 0.00 -0.03 0.00 0.00 54.58 52.64 3kb4 n ASN 106 Cb 0.89 -0.15 -0.13 0.00 -0.61 0.00 0.00 39.78 39.78 3kb4 n ASN 106 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3kb4 s HIS 107 N -1.75 -0.14 0.24 3.10 2.46 -1.26 -5.06 115.29 112.88 3kb4 s HIS 107 Ca 0.05 0.36 -0.12 0.00 0.47 0.00 0.00 55.06 55.83 3kb4 s HIS 107 Cb 0.03 0.03 0.33 0.00 -0.13 0.00 0.00 32.58 32.84 3kb4 s HIS 107 CO 0.03 -0.08 1.59 -1.35 -2.47 0.00 0.00 174.74 172.46 3kb4 h PRO 108 N 6.13 -0.01 -0.87 2.88 0.11 -1.92 -1.21 132.00 137.11 3kb4 h PRO 108 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kb4 h PRO 108 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kb4 h PRO 108 CO 0.43 -0.01 0.00 1.19 -0.21 0.00 0.00 178.00 179.40 3kb4 n PHE 109 N -5.52 0.00 0.00 0.65 3.72 -1.26 -0.91 117.46 114.13 3kb4 n PHE 109 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3kb4 n PHE 109 Cb 0.41 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 3kb4 n PHE 109 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kb4 n PHE 111 N 0.70 0.00 -0.15 1.38 7.35 -0.46 -1.99 117.46 124.29 3kb4 n PHE 111 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 3kb4 n PHE 111 Cb 0.00 0.00 0.05 0.00 0.35 0.00 0.00 39.48 39.88 3kb4 n PHE 111 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3kb4 h LEU 112 N 0.00 0.25 -0.27 -2.13 5.85 -1.28 0.36 115.31 118.09 3kb4 h LEU 112 Ca 0.00 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3kb4 h LEU 112 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kb4 h LEU 112 CO 0.00 0.18 -0.14 0.00 -0.34 0.00 0.00 178.44 178.14 3kb4 h ALA 113 N 1.29 0.39 -0.52 1.25 0.00 -1.65 -2.04 119.26 117.98 3kb4 h ALA 113 Ca 0.22 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3kb4 h ALA 113 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kb4 h ALA 113 CO -0.19 0.27 0.02 0.00 0.00 0.00 0.00 179.25 179.35 3kb4 h ALA 114 N 0.74 0.70 -0.32 0.00 0.00 -1.73 -1.41 119.26 117.24 3kb4 h ALA 114 Ca 0.06 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3kb4 h ALA 114 Cb 0.66 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kb4 h ALA 114 CO 0.04 0.50 -0.15 1.25 0.00 0.00 0.00 179.25 180.89 3kb4 h HIS 115 N 0.78 0.76 -0.35 0.00 -0.00 -0.31 -1.68 115.15 114.34 3kb4 h HIS 115 Ca 0.15 -0.19 -0.12 0.00 -0.00 0.00 0.00 60.37 60.21 3kb4 h HIS 115 Cb 0.50 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 3kb4 h HIS 115 CO 0.04 0.88 -0.29 -0.07 -0.00 0.00 0.00 177.93 178.49 3kb4 h LEU 116 N 0.42 0.76 -0.12 0.26 3.38 -1.36 -2.59 115.31 116.07 3kb4 h LEU 116 Ca 0.07 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3kb4 h LEU 116 Cb 0.68 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kb4 h LEU 116 CO 0.05 1.00 0.02 1.23 0.09 0.00 0.00 178.44 180.83 3kb4 h GLY 117 N 0.96 0.21 2.00 0.83 0.00 -1.18 -2.51 103.07 103.38 3kb4 h GLY 117 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3kb4 h GLY 117 CO 0.07 0.13 0.00 -1.84 0.00 0.00 0.00 176.54 174.89 3kb4 n GLU 118 N -4.84 0.21 -0.13 4.80 0.28 -0.64 -3.09 120.64 117.23 3kb4 n GLU 118 Ca -0.06 0.30 0.08 0.00 -0.16 0.00 0.00 57.16 57.33 3kb4 n GLU 118 Cb 0.17 -1.82 0.15 0.00 1.43 0.00 0.00 31.44 31.37 3kb4 n GLU 118 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3kb4 n THR 119 N -2.20 0.52 -0.18 3.84 -2.24 -0.98 -4.63 114.28 108.41 3kb4 n THR 119 Ca 0.04 -0.76 -0.01 0.00 -2.27 0.00 0.00 64.05 61.05 3kb4 n THR 119 Cb 0.33 0.90 0.08 0.00 -2.10 0.00 0.00 70.33 69.54 3kb4 n THR 119 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3kb4 h HIS 120 N 3.03 0.11 -0.04 4.78 6.17 -1.38 -0.26 115.15 127.56 3kb4 h HIS 120 Ca 0.00 0.04 -0.10 0.00 0.71 0.00 0.00 60.37 61.02 3kb4 h HIS 120 Cb 0.75 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.71 3kb4 h HIS 120 CO 0.17 -0.06 -0.44 -0.44 0.71 0.00 0.00 177.93 177.88 3kb4 h ASP 121 N 0.20 0.09 -0.44 3.26 3.45 -1.84 -2.44 116.42 118.70 3kb4 h ASP 121 Ca 0.28 -0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.65 3kb4 h ASP 121 Cb 0.42 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.14 3kb4 h ASP 121 CO -0.40 0.51 0.05 0.40 -1.57 0.00 0.00 179.24 178.24 3kb4 h ILE 122 N 0.07 1.25 -0.09 0.35 5.03 -1.44 -2.33 117.51 120.36 3kb4 h ILE 122 Ca 0.00 -0.95 -0.02 0.00 -0.12 0.00 0.00 64.86 63.78 3kb4 h ILE 122 Cb 0.80 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 35.59 3kb4 h ILE 122 CO 0.06 0.33 -0.01 -0.50 -0.68 0.00 0.00 178.15 177.34 3kb4 h TRP 123 N 0.60 0.12 0.46 1.37 4.06 -0.85 0.27 115.95 121.98 3kb4 h TRP 123 Ca 0.13 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.06 3kb4 h TRP 123 Cb 0.42 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 3kb4 h TRP 123 CO 0.03 0.15 -0.22 0.45 -3.56 0.00 0.00 178.44 175.29 3kb4 h HIS 124 N 0.13 -0.57 0.57 0.49 3.86 -0.96 -0.78 115.15 117.89 3kb4 h HIS 124 Ca 0.03 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 3kb4 h HIS 124 Cb 0.11 0.19 0.01 0.00 1.06 0.00 0.00 27.41 28.78 3kb4 h HIS 124 CO 0.00 -0.31 -0.27 0.28 0.86 0.00 0.00 177.93 178.49 3kb4 h VAL 125 N -0.70 0.43 -0.53 2.45 2.07 -0.92 -0.94 116.25 118.12 3kb4 h VAL 125 Ca -0.06 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3kb4 h VAL 125 Cb 0.51 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3kb4 h VAL 125 CO 0.10 0.01 0.33 0.58 0.02 0.00 0.00 177.57 178.62 3kb4 h VAL 126 N -0.81 1.15 0.00 2.57 2.07 -1.03 -1.68 116.25 118.53 3kb4 h VAL 126 Ca -0.08 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3kb4 h VAL 126 Cb 0.60 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3kb4 h VAL 126 CO 0.13 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.87 3kb4 h THR 127 N 0.73 0.00 -0.13 2.57 1.03 -1.08 -3.46 112.91 112.57 3kb4 h THR 127 Ca 0.19 -0.94 -0.03 0.00 -0.01 0.00 0.00 66.41 65.62 3kb4 h THR 127 Cb -0.05 1.94 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 3kb4 h THR 127 CO -0.04 0.00 -0.03 0.61 -0.01 0.00 0.00 175.52 176.05 3kb4 n GLY 128 N 1.02 0.43 3.68 2.99 0.00 -0.43 -4.86 105.19 108.01 3kb4 n GLY 128 Ca 0.04 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 3kb4 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kb4 s ASP 130 N 1.06 1.71 0.00 0.00 -0.00 -1.26 -4.72 116.67 113.47 3kb4 s ASP 130 Ca 0.30 1.71 0.21 0.00 -0.00 0.00 0.00 52.55 54.76 3kb4 s ASP 130 Cb -0.16 -2.37 0.59 0.00 -0.00 0.00 0.00 42.92 40.98 3kb4 s ASP 130 CO 0.11 -3.78 1.47 1.07 -0.00 0.00 0.00 175.17 174.04 3kb4 n THR 131 N -4.65 0.36 -1.96 -1.27 5.66 -1.26 -3.93 114.28 107.22 3kb4 n THR 131 Ca 0.06 -0.52 -0.30 0.00 -3.05 0.00 0.00 64.05 60.24 3kb4 n THR 131 Cb 0.54 0.58 0.20 0.00 -1.55 0.00 0.00 70.33 70.10 3kb4 n THR 131 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3kb4 s ASP 132 N -1.47 2.92 0.11 1.09 -4.77 -1.26 -4.75 116.67 108.54 3kb4 s ASP 132 Ca 0.34 0.15 -0.22 0.00 -3.30 0.00 0.00 52.55 49.52 3kb4 s ASP 132 Cb 0.19 -0.13 -0.09 0.00 -1.09 0.00 0.00 42.92 41.81 3kb4 s ASP 132 CO 0.27 -2.85 1.71 0.11 0.70 0.00 0.00 175.17 175.12 3kb4 h LYS 133 N -1.70 -0.05 -0.02 2.11 1.57 -2.00 -0.34 116.57 116.14 3kb4 h LYS 133 Ca -0.44 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.31 3kb4 h LYS 133 Cb 1.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3kb4 h LYS 133 CO 0.33 -0.03 -0.18 -1.00 -0.57 0.00 0.00 179.45 178.00 3kb4 h PRO 134 N -0.05 0.03 -0.39 3.15 0.13 -1.93 -1.98 132.00 130.95 3kb4 h PRO 134 Ca 0.05 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.07 3kb4 h PRO 134 Cb 0.12 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 3kb4 h PRO 134 CO -0.11 0.20 -0.17 0.78 -0.23 0.00 0.00 178.00 178.48 3kb4 h GLY 135 N 0.57 0.78 1.22 1.56 0.00 -1.52 -0.74 103.07 104.94 3kb4 h GLY 135 Ca 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 47.33 46.56 3kb4 h GLY 135 CO 0.02 0.57 -0.37 0.83 0.00 0.00 0.00 176.54 177.59 3kb4 h GLU 136 N 0.64 0.86 -0.66 4.80 4.39 -0.39 -1.75 114.58 122.47 3kb4 h GLU 136 Ca 0.10 -0.44 -0.08 0.00 0.34 0.00 0.00 59.36 59.29 3kb4 h GLU 136 Cb 0.64 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 3kb4 h GLU 136 CO 0.05 1.08 0.11 0.28 -1.16 0.00 0.00 179.01 179.37 3kb4 h VAL 137 N 0.71 1.26 0.03 3.13 2.07 -1.23 -1.26 116.25 120.96 3kb4 h VAL 137 Ca 0.06 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3kb4 h VAL 137 Cb 0.94 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3kb4 h VAL 137 CO 0.09 0.39 -0.06 0.50 0.02 0.00 0.00 177.57 178.50 3kb4 h LYS 138 N 1.02 -0.12 -0.78 1.57 3.64 -0.87 -0.28 116.57 120.75 3kb4 h LYS 138 Ca 0.20 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3kb4 h LYS 138 Cb 0.43 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 3kb4 h LYS 138 CO 0.01 -0.08 0.42 1.25 -2.27 0.00 0.00 179.45 178.78 3kb4 h LEU 139 N -0.13 0.97 -0.75 5.20 5.85 -1.12 -1.44 115.31 123.89 3kb4 h LEU 139 Ca 0.01 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3kb4 h LEU 139 Cb 0.14 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3kb4 h LEU 139 CO -0.04 0.78 0.35 -0.33 -0.34 0.00 0.00 178.44 178.86 3kb4 h GLU 140 N 1.08 1.09 -0.51 1.25 5.08 -0.68 0.92 114.58 122.82 3kb4 h GLU 140 Ca 0.27 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3kb4 h GLU 140 Cb 0.04 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3kb4 h GLU 140 CO -0.04 0.86 0.07 0.00 -1.00 0.00 0.00 179.01 178.90 3kb4 h ALA 141 N 1.17 1.17 0.06 3.43 0.00 -0.60 -0.57 119.26 123.92 3kb4 h ALA 141 Ca 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kb4 h ALA 141 Cb 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kb4 h ALA 141 CO -0.03 0.55 -0.03 0.35 0.00 0.00 0.00 179.25 180.09 3kb4 h PHE 142 N 0.77 -0.07 -0.80 0.00 3.57 -0.19 -2.24 116.94 117.96 3kb4 h PHE 142 Ca 0.16 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.74 3kb4 h PHE 142 Cb 0.36 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 3kb4 h PHE 142 CO 0.02 0.02 0.46 1.88 -2.23 0.00 0.00 178.31 178.46 3kb4 h TYR 143 N -0.14 0.85 -0.74 0.41 -1.99 -0.46 -2.12 116.97 112.77 3kb4 h TYR 143 Ca -0.01 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.81 3kb4 h TYR 143 Cb 0.12 -0.26 -0.06 0.00 2.00 0.00 0.00 36.73 38.53 3kb4 h TYR 143 CO -0.05 0.37 0.44 1.15 -0.00 0.00 0.00 178.16 180.06 3kb4 h THR 144 N 0.80 1.00 -0.27 -2.88 2.02 -0.72 -0.30 112.91 112.57 3kb4 h THR 144 Ca 0.38 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 3kb4 h THR 144 Cb 0.30 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3kb4 h THR 144 CO -0.22 0.15 -0.22 0.00 0.37 0.00 0.00 175.52 175.59 3kb4 h ALA 145 N 1.37 1.12 0.00 6.16 0.00 -0.81 -3.25 119.26 123.85 3kb4 h ALA 145 Ca 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kb4 h ALA 145 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kb4 h ALA 145 CO -0.18 0.55 -0.69 1.04 0.00 0.00 0.00 179.25 179.97 3kb4 n GLN 146 N -4.14 0.06 -0.28 0.00 6.02 -0.81 -4.34 117.38 113.89 3kb4 n GLN 146 Ca -0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.08 3kb4 n GLN 146 Cb 0.39 -1.52 0.19 0.00 1.02 0.00 0.00 30.24 30.32 3kb4 n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kb4 n LEU 147 N -1.60 3.06 -4.65 1.08 4.77 -0.19 -4.99 117.00 114.48 3kb4 n LEU 147 Ca 0.05 -3.14 -0.43 0.00 -0.03 0.00 0.00 56.01 52.45 3kb4 n LEU 147 Cb 0.35 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 3kb4 n LEU 147 CO 0.38 0.76 0.74 -0.38 -1.33 0.00 0.00 177.39 177.56 3kb4 n ILE 148 N -1.05 2.07 -1.45 -0.08 5.41 -1.24 -0.75 119.36 122.26 3kb4 n ILE 148 Ca 0.19 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 63.13 3kb4 n ILE 148 Cb 0.76 -1.31 0.03 0.00 -0.71 0.00 0.00 39.64 38.42 3kb4 n ILE 148 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3kb4 n PRO 149 N 0.55 2.48 -1.14 0.38 -0.04 -1.26 -4.71 135.00 131.25 3kb4 n PRO 149 Ca 0.07 -2.83 -0.34 0.00 -0.04 0.00 0.00 63.50 60.36 3kb4 n PRO 149 Cb 0.35 -2.13 0.12 0.00 -0.04 0.00 0.00 33.50 31.80 3kb4 n PRO 149 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3kb4 n ASP 150 N -0.19 0.72 -0.03 3.54 -0.08 0.07 -4.97 116.55 115.61 3kb4 n ASP 150 Ca 0.51 0.59 -0.02 0.00 -1.51 0.00 0.00 54.79 54.36 3kb4 n ASP 150 Cb 0.50 -1.47 -0.06 0.00 2.34 0.00 0.00 41.12 42.43 3kb4 n ASP 150 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3kb4 n ARG 151 N -2.87 2.06 0.16 -0.67 1.74 -1.26 -4.74 116.66 111.07 3kb4 n ARG 151 Ca 0.13 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 3kb4 n ARG 151 Cb 0.50 -1.20 -0.07 0.00 -1.02 0.00 0.00 32.46 30.67 3kb4 n ARG 151 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3kb4 h LEU 152 N 0.00 -1.14 -1.52 0.55 5.85 -1.93 -2.44 115.31 114.69 3kb4 h LEU 152 Ca -0.16 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3kb4 h LEU 152 Cb 1.19 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 3kb4 h LEU 152 CO 0.01 -0.50 0.34 -0.26 -0.34 0.00 0.00 178.44 177.70 3kb4 h PHE 153 N -0.69 0.62 -0.58 1.25 0.04 -1.92 0.14 116.94 115.80 3kb4 h PHE 153 Ca 0.00 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 3kb4 h PHE 153 Cb 0.68 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 3kb4 h PHE 153 CO -0.31 0.38 0.21 1.25 -0.60 0.00 0.00 178.31 179.24 3kb4 h LEU 154 N 0.65 0.82 -1.34 1.54 6.46 -1.80 -1.46 115.31 120.17 3kb4 h LEU 154 Ca 0.20 -0.19 -0.07 0.00 -0.12 0.00 0.00 57.88 57.70 3kb4 h LEU 154 Cb -0.00 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 3kb4 h LEU 154 CO -0.05 0.79 -0.33 0.00 -0.62 0.00 0.00 178.44 178.23 3kb4 h ALA 155 N 1.06 1.38 -0.20 1.25 0.00 -0.71 -2.22 119.26 119.83 3kb4 h ALA 155 Ca 0.19 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3kb4 h ALA 155 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kb4 h ALA 155 CO -0.01 0.41 -0.54 -0.07 0.00 0.00 0.00 179.25 179.03 3kb4 h LEU 156 N 0.00 0.65 -0.47 0.00 4.07 -0.46 -1.61 115.31 117.50 3kb4 h LEU 156 Ca -0.00 -0.35 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 3kb4 h LEU 156 Cb 0.60 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 3kb4 h LEU 156 CO 0.04 1.07 0.16 -0.07 -1.08 0.00 0.00 178.44 178.56 3kb4 h LEU 157 N 0.45 0.67 -0.09 1.67 3.38 -0.82 -2.54 115.31 118.03 3kb4 h LEU 157 Ca 0.01 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kb4 h LEU 157 Cb 1.09 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 3kb4 h LEU 157 CO 0.10 0.69 -0.09 0.00 0.09 0.00 0.00 178.44 179.23 3kb4 h ALA 158 N 1.01 -0.02 -0.64 1.53 0.00 -1.19 -0.41 119.26 119.53 3kb4 h ALA 158 Ca 0.15 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3kb4 h ALA 158 Cb 0.25 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3kb4 h ALA 158 CO -0.01 -0.55 0.20 1.57 0.00 0.00 0.00 179.25 180.46 3kb4 h LYS 159 N -0.11 0.98 -0.06 0.00 5.09 -1.22 -0.74 116.57 120.51 3kb4 h LYS 159 Ca 0.07 -0.19 -0.08 0.00 0.09 0.00 0.00 60.65 60.54 3kb4 h LYS 159 Cb 0.21 -0.15 -0.01 0.00 0.10 0.00 0.00 32.23 32.38 3kb4 h LYS 159 CO -0.16 0.84 -0.32 -0.91 -2.09 0.00 0.00 179.45 176.80 3kb4 h ASN 160 N 0.95 0.10 0.05 7.07 2.35 -1.06 0.16 115.58 125.20 3kb4 h ASN 160 Ca 0.21 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.70 3kb4 h ASN 160 Cb 0.27 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.62 3kb4 h ASN 160 CO -0.01 0.43 -0.85 -0.07 -1.65 0.00 0.00 177.43 175.28 3kb4 h LEU 161 N 0.09 0.77 -0.31 1.61 3.38 -0.45 -1.28 115.31 119.11 3kb4 h LEU 161 Ca 0.01 -0.55 -0.09 0.00 0.09 0.00 0.00 57.88 57.34 3kb4 h LEU 161 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kb4 h LEU 161 CO 0.05 1.34 -0.17 0.25 0.09 0.00 0.00 178.44 179.99 3kb4 h LEU 162 N 0.40 0.69 -0.81 1.67 5.85 -0.79 -1.44 115.31 120.88 3kb4 h LEU 162 Ca -0.07 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.28 3kb4 h LEU 162 Cb 1.48 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 3kb4 h LEU 162 CO 0.16 0.95 0.51 0.50 -0.34 0.00 0.00 178.44 180.22 3kb4 h LYS 163 N 0.42 0.93 -0.21 1.25 3.64 -0.68 -2.12 116.57 119.80 3kb4 h LYS 163 Ca 0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3kb4 h LYS 163 Cb 0.70 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3kb4 h LYS 163 CO 0.05 0.61 0.08 1.15 -2.27 0.00 0.00 179.45 179.07 3kb4 h THR 164 N 0.96 1.17 0.00 1.00 2.02 -1.04 0.10 112.91 117.12 3kb4 h THR 164 Ca 0.34 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3kb4 h THR 164 Cb 0.09 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3kb4 h THR 164 CO -0.14 0.17 0.00 0.00 0.37 0.00 0.00 175.52 175.91 3kb4 n ALA 165 N -2.25 1.27 0.06 6.16 0.00 -0.56 -0.75 120.51 124.45 3kb4 n ALA 165 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.45 3kb4 n ALA 165 Cb 0.13 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.65 3kb4 n ALA 165 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kb4 n TYR 167 N -0.04 0.00 -2.87 0.00 4.01 0.02 -4.45 117.16 113.83 3kb4 n TYR 167 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 3kb4 n TYR 167 Cb 0.00 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.02 3kb4 n TYR 167 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3kb4 n GLU 168 N -1.65 1.07 0.14 -0.72 1.02 -0.57 -4.95 120.64 114.97 3kb4 n GLU 168 Ca 0.04 -2.97 0.18 0.00 -0.02 0.00 0.00 57.16 54.38 3kb4 n GLU 168 Cb 0.53 -1.24 0.78 0.00 -0.02 0.00 0.00 31.44 31.48 3kb4 n GLU 168 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kb4 h VAL 169 N 2.14 0.50 0.00 2.62 3.04 -1.15 -0.85 116.25 122.55 3kb4 h VAL 169 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3kb4 h VAL 169 Cb 1.11 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3kb4 h VAL 169 CO 0.39 0.00 0.00 -1.84 -1.01 0.00 0.00 177.57 175.11 3kb4 n GLU 170 N -3.89 0.05 -0.01 4.17 0.00 -1.26 -0.75 120.64 118.94 3kb4 n GLU 170 Ca 0.04 0.49 0.13 0.00 0.00 0.00 0.00 57.16 57.83 3kb4 n GLU 170 Cb 0.45 -1.63 0.35 0.00 0.00 0.00 0.00 31.44 30.61 3kb4 n GLU 170 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3kb4 n LEU 171 N -1.73 2.13 -0.17 -1.84 4.32 -0.32 -4.59 117.00 114.80 3kb4 n LEU 171 Ca 0.00 -0.73 -0.08 0.00 -0.02 0.00 0.00 56.01 55.18 3kb4 n LEU 171 Cb 0.05 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 41.80 3kb4 n LEU 171 CO 0.06 0.37 0.59 0.00 -1.22 0.00 0.00 177.39 177.18 3kb4 h GLU 173 N -0.25 -0.39 -0.47 0.00 4.39 -1.83 -1.01 114.58 115.03 3kb4 h GLU 173 Ca 0.18 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 3kb4 h GLU 173 Cb 0.56 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 3kb4 h GLU 173 CO -0.64 -0.26 0.09 1.96 -1.16 0.00 0.00 179.01 179.01 3kb4 h GLN 174 N -0.40 0.72 -0.07 2.33 4.20 -1.77 -0.53 115.11 119.59 3kb4 h GLN 174 Ca 0.10 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3kb4 h GLN 174 Cb 0.55 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 3kb4 h GLN 174 CO -0.37 0.67 -0.02 0.82 -0.67 0.00 0.00 178.83 179.26 3kb4 h ILE 175 N 0.69 1.29 -0.09 2.54 1.08 -0.70 -1.71 117.51 120.62 3kb4 h ILE 175 Ca 0.15 -0.93 -0.12 0.00 -0.39 0.00 0.00 64.86 63.57 3kb4 h ILE 175 Cb 0.29 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 3kb4 h ILE 175 CO 0.00 0.26 -0.49 -0.07 -0.69 0.00 0.00 178.15 177.16 3kb4 h LEU 176 N -0.21 0.25 -0.77 1.44 4.07 -1.10 -1.10 115.31 117.89 3kb4 h LEU 176 Ca 0.02 -0.12 -0.10 0.00 0.08 0.00 0.00 57.88 57.76 3kb4 h LEU 176 Cb 0.42 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 3kb4 h LEU 176 CO 0.01 0.70 -0.10 0.44 -1.08 0.00 0.00 178.44 178.41 3kb4 h ASP 177 N 0.19 0.82 -0.10 -0.43 3.32 -1.07 -0.62 116.42 118.52 3kb4 h ASP 177 Ca 0.01 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3kb4 h ASP 177 Cb 0.94 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 3kb4 h ASP 177 CO 0.08 0.94 -0.01 1.23 -1.72 0.00 0.00 179.24 179.75 3kb4 h GLY 178 N 0.97 0.21 0.68 2.75 0.00 -0.99 -1.19 103.07 105.50 3kb4 h GLY 178 Ca 0.13 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.32 3kb4 h GLY 178 CO 0.04 0.15 -0.08 -2.00 0.00 0.00 0.00 176.54 174.65 3kb4 h LEU 179 N -0.11 -0.25 -0.42 3.11 6.46 -1.05 0.31 115.31 123.35 3kb4 h LEU 179 Ca 0.03 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 3kb4 h LEU 179 Cb 0.40 0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.40 3kb4 h LEU 179 CO 0.01 -0.11 0.07 0.74 -0.62 0.00 0.00 178.44 178.53 3kb4 h THR 180 N -0.10 0.76 -0.63 1.05 2.02 -1.07 -0.68 112.91 114.26 3kb4 h THR 180 Ca 0.06 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3kb4 h THR 180 Cb 0.19 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3kb4 h THR 180 CO -0.15 0.04 0.15 1.56 0.37 0.00 0.00 175.52 177.49 3kb4 h GLN 181 N 0.20 1.02 -0.59 6.66 4.20 -0.85 -3.02 115.11 122.73 3kb4 h GLN 181 Ca 0.21 -0.25 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 3kb4 h GLN 181 Cb 0.26 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3kb4 h GLN 181 CO -0.28 0.92 -0.02 0.78 -0.67 0.00 0.00 178.83 179.56 3kb4 h GLY 182 N 0.94 1.14 -6.36 3.46 0.00 -0.49 -3.40 103.07 98.35 3kb4 h GLY 182 Ca 0.20 -0.85 -0.33 0.00 0.00 0.00 0.00 47.33 46.35 3kb4 h GLY 182 CO 0.00 0.78 1.46 1.87 0.00 0.00 0.00 176.54 180.65 3kb4 n TRP 183 N -4.17 0.35 0.00 5.60 -0.00 -0.30 -3.41 117.44 115.51 3kb4 n TRP 183 Ca 0.03 -0.80 0.00 0.00 -0.00 0.00 0.00 57.50 56.73 3kb4 n TRP 183 Cb 0.36 -0.89 0.00 0.00 -0.00 0.00 0.00 31.31 30.78 3kb4 n TRP 183 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3kb4 n GLY 186 N 4.41 1.43 0.18 5.87 0.00 -1.26 -4.68 105.19 111.14 3kb4 n GLY 186 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 3kb4 n GLY 186 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kb4 h LYS 187 N 0.00 0.37 0.08 1.61 1.57 -1.88 -3.29 116.57 115.04 3kb4 h LYS 187 Ca 0.00 -0.27 -0.26 0.00 -1.87 0.00 0.00 60.65 58.25 3kb4 h LYS 187 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3kb4 h LYS 187 CO 0.00 0.90 -1.22 -0.09 -0.57 0.00 0.00 179.45 178.47 3kb4 h ARG 188 N 0.27 0.18 -7.28 3.15 2.43 -1.90 -3.47 114.38 107.76 3kb4 h ARG 188 Ca -0.02 -0.31 -0.51 0.00 -0.81 0.00 0.00 59.98 58.34 3kb4 h ARG 188 Cb 1.20 0.11 0.12 0.00 -0.42 0.00 0.00 29.97 30.99 3kb4 h ARG 188 CO 0.11 1.12 0.33 0.00 -1.51 0.00 0.00 179.97 180.02 3kb4 s ALA 189 N -2.67 2.31 0.75 2.80 0.00 -1.24 -4.88 121.76 118.84 3kb4 s ALA 189 Ca -0.03 0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 3kb4 s ALA 189 Cb 0.08 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.95 3kb4 s ALA 189 CO 0.86 -1.64 1.11 0.15 0.00 0.00 0.00 175.76 176.25 3kb4 s LYS 190 N -4.66 2.47 0.21 0.00 1.02 -0.56 -4.96 119.74 113.26 3kb4 s LYS 190 Ca 0.63 0.44 -0.31 0.00 0.02 0.00 0.00 55.97 56.75 3kb4 s LYS 190 Cb -0.18 -1.98 -0.11 0.00 -0.52 0.00 0.00 37.83 35.04 3kb4 s LYS 190 CO 0.52 -1.31 1.63 -2.14 -0.92 0.00 0.00 175.35 173.13 3kb4 s PRO 191 N -5.34 4.16 0.09 -1.68 0.02 -1.26 -4.89 135.00 126.09 3kb4 s PRO 191 Ca 0.60 2.50 0.23 0.00 0.02 0.00 0.00 61.00 64.34 3kb4 s PRO 191 Cb -0.12 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.31 3kb4 s PRO 191 CO 0.52 -0.66 0.98 1.28 -0.33 0.00 0.00 177.00 178.79 3kb4 n LEU 192 N 3.54 0.60 -4.73 -5.54 4.32 -1.26 -4.90 117.00 109.03 3kb4 n LEU 192 Ca 0.13 0.09 -0.42 0.00 -0.02 0.00 0.00 56.01 55.80 3kb4 n LEU 192 Cb 0.37 -0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 42.06 3kb4 n LEU 192 CO 0.63 -0.03 1.20 0.12 -1.22 0.00 0.00 177.39 178.08 3kb4 s PHE 193 N -3.28 2.97 0.00 -1.77 5.36 -1.26 -3.04 117.98 116.96 3kb4 s PHE 193 Ca 0.01 0.78 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 3kb4 s PHE 193 Cb 0.13 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 3kb4 s PHE 193 CO 0.81 -3.25 0.00 0.41 -1.46 0.00 0.00 175.22 171.73 3kb4 n GLY 194 N 2.90 2.46 3.73 13.12 0.00 -1.26 -4.63 105.19 121.51 3kb4 n GLY 194 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3kb4 n GLY 194 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kb4 n ILE 195 N -2.00 1.54 -3.11 -0.61 2.08 -1.17 -4.84 119.36 111.24 3kb4 n ILE 195 Ca 0.00 -0.38 -0.45 0.00 0.56 0.00 0.00 62.75 62.48 3kb4 n ILE 195 Cb 0.00 -1.80 -0.01 0.00 -0.75 0.00 0.00 39.64 37.08 3kb4 n ILE 195 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3kb4 s GLU 196 N -1.29 3.94 0.40 0.38 2.02 -1.26 -4.89 118.70 117.99 3kb4 s GLU 196 Ca 0.59 -2.57 0.09 0.00 0.02 0.00 0.00 54.97 53.09 3kb4 s GLU 196 Cb -0.53 -4.79 0.86 0.00 0.10 0.00 0.00 34.13 29.77 3kb4 s GLU 196 CO 0.57 -1.54 2.00 -1.49 0.02 0.00 0.00 175.26 174.81 3kb4 h TRP 197 N 7.46 0.59 0.00 1.61 4.06 -1.98 -2.47 115.95 125.23 3kb4 h TRP 197 Ca 0.21 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.18 3kb4 h TRP 197 Cb 0.93 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 3kb4 h TRP 197 CO 1.01 0.32 0.00 0.27 -3.56 0.00 0.00 178.44 176.48 3kb4 n ASN 198 N -4.47 0.00 -0.54 -3.49 0.23 -1.26 -0.98 115.26 104.74 3kb4 n ASN 198 Ca 0.08 -0.20 0.05 0.00 -0.53 0.00 0.00 54.58 53.98 3kb4 n ASN 198 Cb 0.22 -0.02 0.13 0.00 -2.08 0.00 0.00 39.78 38.03 3kb4 n ASN 198 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3kb4 n LYS 199 N -1.02 2.89 -0.08 -3.83 5.02 -0.93 -4.46 118.16 115.75 3kb4 n LYS 199 Ca 0.05 -1.98 0.03 0.00 -2.02 0.00 0.00 58.31 54.39 3kb4 n LYS 199 Cb 0.03 -1.24 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 3kb4 n LYS 199 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kb4 n LEU 200 N 0.33 1.53 -0.18 -0.35 4.77 -0.16 -4.79 117.00 118.16 3kb4 n LEU 200 Ca 0.10 -1.87 0.10 0.00 -0.03 0.00 0.00 56.01 54.31 3kb4 n LEU 200 Cb 0.41 -0.13 0.41 0.00 -2.33 0.00 0.00 43.42 41.78 3kb4 n LEU 200 CO 0.07 0.45 1.21 -0.50 -1.33 0.00 0.00 177.39 177.29 3kb4 h TRP 201 N 0.00 0.67 -0.30 -1.77 -0.00 -1.78 -1.52 115.95 111.25 3kb4 h TRP 201 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 3kb4 h TRP 201 Cb 0.84 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.78 3kb4 h TRP 201 CO 0.01 0.31 0.00 0.39 -0.00 0.00 0.00 178.44 179.16 3kb4 n GLU 202 N -4.49 1.91 -3.09 0.49 1.02 -1.26 -0.65 120.64 114.57 3kb4 n GLU 202 Ca 0.12 -1.40 -0.39 0.00 -0.02 0.00 0.00 57.16 55.47 3kb4 n GLU 202 Cb 0.34 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 3kb4 n GLU 202 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kb4 s THR 203 N -1.61 4.68 0.12 2.62 2.01 -0.57 -4.86 115.64 118.04 3kb4 s THR 203 Ca 0.31 1.49 -0.31 0.00 0.31 0.00 0.00 61.69 63.48 3kb4 s THR 203 Cb 0.17 -4.04 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 3kb4 s THR 203 CO 0.24 0.45 1.75 -2.84 -0.69 0.00 0.00 174.62 173.53 3kb4 s PRO 204 N -0.54 4.16 0.16 4.92 0.02 -1.26 -1.15 135.00 141.30 3kb4 s PRO 204 Ca 0.34 2.51 -0.19 0.00 0.02 0.00 0.00 61.00 63.69 3kb4 s PRO 204 Cb -0.20 -3.51 0.08 0.00 0.02 0.00 0.00 34.50 30.88 3kb4 s PRO 204 CO 0.22 -0.79 1.66 1.25 -0.33 0.00 0.00 177.00 179.01 3kb4 h LEU 205 N 8.28 -0.49 -1.11 -5.54 5.85 -1.31 -1.39 115.31 119.61 3kb4 h LEU 205 Ca -0.45 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.46 3kb4 h LEU 205 Cb 1.21 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.46 3kb4 h LEU 205 CO 0.94 -0.18 0.61 -0.33 -0.34 0.00 0.00 178.44 179.14 3kb4 h GLU 206 N -0.07 1.04 -0.36 1.25 5.08 -1.91 0.78 114.58 120.40 3kb4 h GLU 206 Ca 0.18 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3kb4 h GLU 206 Cb 0.34 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3kb4 h GLU 206 CO -0.41 0.69 -0.18 0.93 -1.00 0.00 0.00 179.01 179.05 3kb4 h GLU 207 N 1.07 0.75 -0.93 2.33 5.08 -1.79 -1.70 114.58 119.39 3kb4 h GLU 207 Ca 0.40 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3kb4 h GLU 207 Cb 0.18 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3kb4 h GLU 207 CO -0.15 0.94 0.55 1.25 -1.00 0.00 0.00 179.01 180.60 3kb4 h LEU 208 N 0.53 1.14 -0.73 1.33 5.85 -0.51 -0.02 115.31 122.90 3kb4 h LEU 208 Ca 0.08 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 3kb4 h LEU 208 Cb 0.72 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3kb4 h LEU 208 CO 0.05 0.88 -0.07 1.56 -0.34 0.00 0.00 178.44 180.53 3kb4 h GLN 209 N 1.29 0.90 -0.42 1.25 4.20 -0.71 -1.93 115.11 119.70 3kb4 h GLN 209 Ca 0.33 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3kb4 h GLN 209 Cb -0.03 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3kb4 h GLN 209 CO -0.06 0.94 0.06 1.15 -0.67 0.00 0.00 178.83 180.25 3kb4 h THR 210 N 0.82 1.25 0.00 -0.54 2.02 -0.53 0.13 112.91 116.06 3kb4 h THR 210 Ca 0.14 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3kb4 h THR 210 Cb 0.58 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3kb4 h THR 210 CO 0.04 0.31 0.00 0.77 0.37 0.00 0.00 175.52 177.01 3kb4 h SER 211 N 0.56 0.00 -0.40 4.18 4.64 -0.87 -1.77 113.55 119.88 3kb4 h SER 211 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3kb4 h SER 211 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3kb4 h SER 211 CO 0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 3kb4 n LEU 212 N -2.40 3.42 -3.52 5.97 4.32 -0.74 -4.96 117.00 119.08 3kb4 n LEU 212 Ca 0.02 -1.49 -0.22 0.00 -0.02 0.00 0.00 56.01 54.30 3kb4 n LEU 212 Cb 0.26 -0.26 0.08 0.00 -1.62 0.00 0.00 43.42 41.88 3kb4 n LEU 212 CO 0.22 0.74 0.22 0.59 -1.22 0.00 0.00 177.39 177.94 3kb4 n ASN 213 N 1.46 -5.61 -4.39 -1.43 5.03 -0.67 -1.49 115.26 108.16 3kb4 n ASN 213 Ca 0.20 -0.54 -0.36 0.00 0.87 0.00 0.00 54.58 54.74 3kb4 n ASN 213 Cb 0.60 -4.98 -0.13 0.00 -1.02 0.00 0.00 39.78 34.24 3kb4 n ASN 213 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3kb4 s ILE 214 N -3.32 3.91 -0.69 2.41 1.01 0.38 -3.69 121.20 121.21 3kb4 s ILE 214 Ca 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 3kb4 s ILE 214 Cb -0.21 -2.81 0.17 0.00 0.01 0.00 0.00 42.46 39.62 3kb4 s ILE 214 CO 0.72 0.38 0.50 -0.69 0.00 0.00 0.00 174.94 175.85 3kb4 s VAL 215 N 1.55 3.61 -2.00 2.92 1.01 -1.26 -4.31 120.40 121.92 3kb4 s VAL 215 Ca 0.06 -3.40 0.22 0.00 0.00 0.00 0.00 61.98 58.86 3kb4 s VAL 215 Cb -0.15 -3.34 0.63 0.00 0.00 0.00 0.00 36.38 33.53 3kb4 s VAL 215 CO 0.01 -0.93 1.70 -0.81 0.00 0.00 0.00 175.10 175.07