#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb4 s GLU 3 N 0.00 1.98 0.17 9.51 0.41 -1.26 -5.02 118.70 124.49 3kb4 s GLU 3 Ca 0.00 1.60 0.04 0.00 -0.41 0.00 0.00 54.97 56.20 3kb4 s GLU 3 Cb 0.00 -1.83 -0.04 0.00 -1.78 0.00 0.00 34.13 30.48 3kb4 s GLU 3 CO 0.00 -1.92 0.23 0.95 -0.49 0.00 0.00 175.26 174.03 3kb4 s THR 4 N -2.29 4.97 -0.31 3.63 -4.23 -1.26 -5.06 115.64 111.09 3kb4 s THR 4 Ca 0.70 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 60.33 3kb4 s THR 4 Cb -0.25 -3.57 0.09 0.00 1.34 0.00 0.00 72.50 70.11 3kb4 s THR 4 CO 0.49 -0.14 0.05 -0.51 -0.54 0.00 0.00 174.62 173.98 3kb4 s ILE 5 N -1.79 1.54 1.00 2.99 2.07 -1.26 -5.12 121.20 120.64 3kb4 s ILE 5 Ca 0.33 -1.74 -0.11 0.00 -1.41 0.00 0.00 60.65 57.71 3kb4 s ILE 5 Cb -0.10 -2.09 0.19 0.00 0.13 0.00 0.00 42.46 40.59 3kb4 s ILE 5 CO 0.27 -0.55 1.08 0.42 -1.91 0.00 0.00 174.94 174.25 3kb4 s THR 6 N 1.29 2.24 0.25 4.00 -4.23 -1.26 -4.75 115.64 113.19 3kb4 s THR 6 Ca 0.08 0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.61 3kb4 s THR 6 Cb -0.18 -2.26 0.23 0.00 1.34 0.00 0.00 72.50 71.63 3kb4 s THR 6 CO -0.15 -0.10 1.89 -0.61 -0.54 0.00 0.00 174.62 175.10 3kb4 h GLN 7 N -2.06 1.24 -0.17 3.99 5.75 -1.99 0.08 115.11 121.95 3kb4 h GLN 7 Ca -0.52 -0.12 -0.15 0.00 -0.15 0.00 0.00 58.65 57.71 3kb4 h GLN 7 Cb 1.30 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 3kb4 h GLN 7 CO 0.49 0.88 -0.54 0.66 -2.65 0.00 0.00 178.83 177.67 3kb4 h SER 8 N 1.26 0.54 -0.57 -0.69 4.64 -2.00 -2.35 113.55 114.37 3kb4 h SER 8 Ca 0.32 -0.28 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 3kb4 h SER 8 Cb -0.03 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 3kb4 h SER 8 CO -0.06 0.97 -0.02 1.56 -0.87 0.00 0.00 176.83 178.41 3kb4 h GLN 9 N 0.38 1.02 -0.59 4.77 4.20 -1.74 -1.73 115.11 121.43 3kb4 h GLN 9 Ca 0.01 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.41 3kb4 h GLN 9 Cb 1.06 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 3kb4 h GLN 9 CO 0.10 1.02 0.35 1.49 -0.67 0.00 0.00 178.83 181.12 3kb4 h GLU 10 N 0.91 0.68 -0.38 1.46 4.81 -0.83 0.31 114.58 121.53 3kb4 h GLU 10 Ca 0.16 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3kb4 h GLU 10 Cb 0.58 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3kb4 h GLU 10 CO 0.03 0.45 0.05 1.15 -0.73 0.00 0.00 179.01 179.96 3kb4 h THR 11 N 0.70 1.24 -0.64 0.32 2.02 -1.23 -1.51 112.91 113.82 3kb4 h THR 11 Ca 0.24 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 3kb4 h THR 11 Cb 0.03 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3kb4 h THR 11 CO -0.11 0.30 0.25 0.00 0.37 0.00 0.00 175.52 176.34 3kb4 h ALA 12 N 0.91 0.83 -0.19 6.16 0.00 -1.02 -1.18 119.26 124.76 3kb4 h ALA 12 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kb4 h ALA 12 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kb4 h ALA 12 CO 0.01 0.45 0.04 0.82 0.00 0.00 0.00 179.25 180.57 3kb4 h ILE 13 N 0.90 1.21 -0.83 0.00 2.04 -0.80 -2.34 117.51 117.68 3kb4 h ILE 13 Ca 0.21 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3kb4 h ILE 13 Cb 0.21 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3kb4 h ILE 13 CO -0.02 0.21 0.45 -0.07 0.00 0.00 0.00 178.15 178.72 3kb4 h LEU 14 N 0.12 1.03 -0.42 1.44 4.07 -1.12 -0.58 115.31 119.85 3kb4 h LEU 14 Ca 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 3kb4 h LEU 14 Cb 0.27 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 3kb4 h LEU 14 CO 0.00 0.83 0.22 -0.08 -1.08 0.00 0.00 178.44 178.33 3kb4 h GLU 15 N 1.16 0.60 -0.50 1.13 4.57 -1.12 -1.65 114.58 118.78 3kb4 h GLU 15 Ca 0.29 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.30 3kb4 h GLU 15 Cb 0.03 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3kb4 h GLU 15 CO -0.05 0.50 -0.05 0.77 -1.18 0.00 0.00 179.01 179.01 3kb4 h SER 16 N 0.55 0.85 -0.53 1.04 0.02 -0.96 -2.72 113.55 111.79 3kb4 h SER 16 Ca 0.15 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3kb4 h SER 16 Cb 0.09 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3kb4 h SER 16 CO -0.02 0.94 0.25 0.15 -1.14 0.00 0.00 176.83 177.01 3kb4 h PHE 17 N 0.80 0.78 -0.42 3.45 3.57 -0.90 -2.05 116.94 122.17 3kb4 h PHE 17 Ca 0.14 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3kb4 h PHE 17 Cb 0.55 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3kb4 h PHE 17 CO 0.03 0.61 0.16 -0.07 -2.23 0.00 0.00 178.31 176.82 3kb4 h LEU 18 N 0.72 0.54 -0.56 0.59 4.07 -1.14 -1.33 115.31 118.21 3kb4 h LEU 18 Ca 0.18 -0.06 -0.14 0.00 0.08 0.00 0.00 57.88 57.94 3kb4 h LEU 18 Cb 0.13 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3kb4 h LEU 18 CO -0.02 0.50 -0.39 -0.33 -1.08 0.00 0.00 178.44 177.12 3kb4 h GLU 19 N 0.60 0.73 0.00 1.13 5.08 -1.14 -1.93 114.58 119.04 3kb4 h GLU 19 Ca 0.15 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 3kb4 h GLU 19 Cb 0.13 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3kb4 h GLU 19 CO -0.01 0.99 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.49 3kb4 h LEU 20 N 0.60 0.00 -0.32 1.33 3.38 -0.84 -1.34 115.31 118.13 3kb4 h LEU 20 Ca 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 3kb4 h LEU 20 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 3kb4 h LEU 20 CO 0.08 0.43 -0.78 0.58 0.09 0.00 0.00 178.44 178.84 3kb4 h VAL 21 N 0.00 1.37 -0.00 1.22 2.07 -0.99 -3.10 116.25 116.82 3kb4 h VAL 21 Ca -0.00 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.33 3kb4 h VAL 21 Cb 0.80 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3kb4 h VAL 21 CO 0.06 0.66 -0.24 0.29 0.02 0.00 0.00 177.57 178.36 3kb4 n LYS 22 N -3.83 0.10 -3.96 1.57 5.02 -0.75 -4.86 118.16 111.45 3kb4 n LYS 22 Ca -0.05 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 3kb4 n LYS 22 Cb 0.74 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 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 -2.93 6.24 0.79 4.39 0.15 -0.52 -5.09 113.70 116.73 3kb4 s SER 23 Ca 0.15 0.16 -0.11 0.00 0.70 0.00 0.00 55.95 56.84 3kb4 s SER 23 Cb 0.18 -1.86 0.06 0.00 -1.71 0.00 0.00 66.02 62.69 3kb4 s SER 23 CO 0.60 0.08 1.10 -2.16 1.20 0.00 0.00 173.24 174.06 3kb4 s PRO 24 N -3.07 2.18 0.86 5.44 0.04 -1.26 -4.89 135.00 134.30 3kb4 s PRO 24 Ca 0.34 0.60 -0.13 0.00 0.04 0.00 0.00 61.00 61.85 3kb4 s PRO 24 Cb -0.11 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.55 3kb4 s PRO 24 CO 0.28 -1.54 0.81 0.66 0.04 0.00 0.00 177.00 177.25 3kb4 n TYR 25 N -3.37 -0.06 -2.53 0.56 4.02 -1.26 -3.81 117.16 110.70 3kb4 n TYR 25 Ca 0.07 0.34 -0.10 0.00 -0.01 0.00 0.00 57.90 58.20 3kb4 n TYR 25 Cb 0.56 -1.95 0.01 0.00 -0.02 0.00 0.00 39.34 37.95 3kb4 n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kb4 n GLY 26 N 1.00 0.13 2.87 2.72 0.00 -1.26 -4.96 105.19 105.69 3kb4 n GLY 26 Ca 0.10 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.08 5.88 -0.03 1.61 4.05 -1.25 -4.80 115.26 120.64 3kb4 n ASN 27 Ca -0.06 -3.25 0.24 0.00 0.45 0.00 0.00 54.58 51.97 3kb4 n ASN 27 Cb 0.56 -1.38 0.67 0.00 1.23 0.00 0.00 39.78 40.85 3kb4 n ASN 27 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 3kb4 h PHE 28 N 5.47 0.00 0.13 1.20 0.04 -1.94 -0.23 116.94 121.60 3kb4 h PHE 28 Ca 0.36 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.12 3kb4 h PHE 28 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 3kb4 h PHE 28 CO 1.20 0.00 -0.06 0.00 -0.60 0.00 0.00 178.31 178.85 3kb4 h ALA 29 N 1.23 -0.46 -0.05 2.45 0.00 -2.00 -2.82 119.26 117.61 3kb4 h ALA 29 Ca 0.31 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3kb4 h ALA 29 Cb 1.70 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3kb4 h ALA 29 CO -0.00 -0.45 0.05 1.03 0.00 0.00 0.00 179.25 179.88 3kb4 h SER 30 N -0.34 0.00 0.16 0.00 0.87 -1.85 0.99 113.55 113.38 3kb4 h SER 30 Ca -0.02 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 3kb4 h SER 30 Cb 0.13 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3kb4 h SER 30 CO 0.03 0.00 -0.32 0.40 -0.53 0.00 0.00 176.83 176.41 3kb4 h ILE 31 N 0.00 1.27 -0.15 2.23 2.04 -1.13 -2.10 117.51 119.67 3kb4 h ILE 31 Ca 0.02 -1.30 -0.16 0.00 1.00 0.00 0.00 64.86 64.43 3kb4 h ILE 31 Cb 0.13 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3kb4 h ILE 31 CO -0.00 0.39 -0.58 1.23 0.00 0.00 0.00 178.15 179.19 3kb4 h GLY 32 N 1.08 0.52 0.98 5.37 0.00 -0.53 -1.55 103.07 108.93 3kb4 h GLY 32 Ca 0.03 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 3kb4 h GLY 32 CO 0.05 0.56 0.12 1.70 0.00 0.00 0.00 176.54 178.97 3kb4 h LYS 33 N 0.36 0.82 -0.41 4.80 3.64 -1.15 -0.95 116.57 123.68 3kb4 h LYS 33 Ca 0.00 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 3kb4 h LYS 33 Cb 1.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 3kb4 h LYS 33 CO 0.10 0.78 0.12 1.25 -2.27 0.00 0.00 179.45 179.44 3kb4 h LEU 34 N 0.71 0.60 -0.65 5.20 5.85 -1.29 -2.81 115.31 122.93 3kb4 h LEU 34 Ca 0.16 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3kb4 h LEU 34 Cb 0.33 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3kb4 h LEU 34 CO 0.00 0.66 0.38 -1.28 -0.34 0.00 0.00 178.44 177.86 3kb4 h SER 35 N 0.51 0.61 -0.80 1.25 0.87 -1.07 0.34 113.55 115.26 3kb4 h SER 35 Ca 0.13 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 3kb4 h SER 35 Cb 0.28 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.07 3kb4 h SER 35 CO -0.00 0.41 0.50 -0.74 -0.53 0.00 0.00 176.83 176.47 3kb4 h HIS 36 N 0.74 0.94 0.21 2.24 -0.00 -0.98 0.90 115.15 119.19 3kb4 h HIS 36 Ca 0.27 0.03 -0.33 0.00 -0.00 0.00 0.00 60.37 60.33 3kb4 h HIS 36 Cb 0.08 -0.31 0.02 0.00 -0.00 0.00 0.00 27.41 27.21 3kb4 h HIS 36 CO -0.06 0.52 -1.58 0.28 -0.00 0.00 0.00 177.93 177.09 3kb4 h VAL 37 N 0.96 1.11 0.30 5.26 2.07 -1.21 -3.40 116.25 121.33 3kb4 h VAL 37 Ca 0.33 -2.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 3kb4 h VAL 37 Cb 0.06 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3kb4 h VAL 37 CO -0.13 0.82 -0.14 0.25 0.02 0.00 0.00 177.57 178.39 3kb4 h LEU 38 N 0.07 -0.34 -7.39 2.57 6.46 -0.25 -3.37 115.31 113.06 3kb4 h LEU 38 Ca -0.30 -0.13 -0.71 0.00 -0.12 0.00 0.00 57.88 56.62 3kb4 h LEU 38 Cb 2.08 0.09 -0.11 0.00 -0.73 0.00 0.00 40.66 41.99 3kb4 h LEU 38 CO 0.21 0.14 2.10 0.59 -0.62 0.00 0.00 178.44 180.86 3kb4 n ASN 39 N -5.04 4.87 -4.71 1.25 5.03 0.30 -4.93 115.26 112.02 3kb4 n ASN 39 Ca -0.07 -2.94 -0.29 0.00 0.87 0.00 0.00 54.58 52.15 3kb4 n ASN 39 Cb 0.23 -1.66 0.16 0.00 -1.02 0.00 0.00 39.78 37.49 3kb4 n ASN 39 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 3kb4 s ASP 40 N 3.35 3.03 0.29 6.41 1.47 -1.26 -4.64 116.67 125.32 3kb4 s ASP 40 Ca 0.48 1.20 0.05 0.00 1.18 0.00 0.00 52.55 55.46 3kb4 s ASP 40 Cb 0.04 -1.86 0.75 0.00 -0.34 0.00 0.00 42.92 41.51 3kb4 s ASP 40 CO 0.02 -2.88 1.70 -0.65 0.68 0.00 0.00 175.17 174.05 3kb4 h PRO 41 N -1.72 0.42 -0.72 2.11 0.11 -1.94 -0.58 132.00 129.68 3kb4 h PRO 41 Ca -0.53 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.62 3kb4 h PRO 41 Cb 1.32 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 3kb4 h PRO 41 CO 0.58 0.28 0.41 -0.44 -0.21 0.00 0.00 178.00 178.62 3kb4 h ASP 42 N 0.43 0.62 -0.34 -2.05 3.32 -1.99 0.85 116.42 117.26 3kb4 h ASP 42 Ca 0.57 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.58 3kb4 h ASP 42 Cb 1.08 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3kb4 h ASP 42 CO -0.52 0.39 -0.07 0.74 -1.72 0.00 0.00 179.24 178.07 3kb4 h THR 43 N 0.75 1.28 -0.80 0.35 2.02 -1.48 -2.70 112.91 112.33 3kb4 h THR 43 Ca 0.32 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.42 3kb4 h THR 43 Cb 0.20 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 3kb4 h THR 43 CO -0.18 0.36 0.51 -0.07 0.37 0.00 0.00 175.52 176.51 3kb4 h LEU 44 N 0.43 0.84 -0.88 2.58 4.07 -0.60 -0.75 115.31 121.01 3kb4 h LEU 44 Ca 0.09 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 3kb4 h LEU 44 Cb 0.56 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 3kb4 h LEU 44 CO 0.03 0.58 0.45 -0.61 -1.08 0.00 0.00 178.44 177.81 3kb4 h GLN 45 N 0.99 1.24 -0.28 1.13 5.75 -0.74 0.30 115.11 123.50 3kb4 h GLN 45 Ca 0.32 -0.17 -0.13 0.00 -0.15 0.00 0.00 58.65 58.53 3kb4 h GLN 45 Cb 0.01 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 3kb4 h GLN 45 CO -0.11 0.93 -0.35 0.87 -2.65 0.00 0.00 178.83 177.52 3kb4 h LYS 46 N 1.24 0.61 -0.48 1.69 1.57 -1.06 -1.11 116.57 119.03 3kb4 h LYS 46 Ca 0.30 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3kb4 h LYS 46 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3kb4 h LYS 46 CO -0.04 0.87 -0.00 0.28 -0.57 0.00 0.00 179.45 179.98 3kb4 h VAL 47 N 0.51 1.26 -0.47 0.50 2.07 -0.66 -0.98 116.25 118.48 3kb4 h VAL 47 Ca 0.05 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 3kb4 h VAL 47 Cb 0.85 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3kb4 h VAL 47 CO 0.07 0.37 0.20 0.58 0.02 0.00 0.00 177.57 178.82 3kb4 h VAL 48 N 0.70 1.20 -0.19 2.57 2.07 -0.78 -1.61 116.25 120.20 3kb4 h VAL 48 Ca 0.13 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3kb4 h VAL 48 Cb 0.51 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3kb4 h VAL 48 CO 0.03 0.22 0.10 0.00 0.02 0.00 0.00 177.57 177.94 3kb4 h ALA 49 N 1.05 0.23 -0.64 1.67 0.00 -0.98 -1.69 119.26 118.91 3kb4 h ALA 49 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3kb4 h ALA 49 Cb 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kb4 h ALA 49 CO -0.02 -0.32 0.26 0.28 0.00 0.00 0.00 179.25 179.46 3kb4 h VAL 50 N 0.21 1.24 0.00 0.00 2.07 -1.05 -2.44 116.25 116.28 3kb4 h VAL 50 Ca 0.08 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3kb4 h VAL 50 Cb 0.01 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3kb4 h VAL 50 CO -0.05 0.29 -0.06 -0.07 0.02 0.00 0.00 177.57 177.70 3kb4 h LEU 51 N 0.90 0.00 -0.90 2.57 3.38 -1.13 -2.67 115.31 117.46 3kb4 h LEU 51 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3kb4 h LEU 51 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kb4 h LEU 51 CO -0.02 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.37 3kb4 n SER 52 N -3.20 1.36 0.25 -0.43 7.64 -0.65 -3.83 113.62 114.77 3kb4 n SER 52 Ca -0.00 -1.59 0.15 0.00 1.01 0.00 0.00 58.87 58.44 3kb4 n SER 52 Cb 0.30 -0.06 0.46 0.00 -1.01 0.00 0.00 64.21 63.90 3kb4 n SER 52 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3kb4 h LEU 53 N 1.91 0.00-10.09 -3.43 3.38 -1.41 -3.34 115.31 102.33 3kb4 h LEU 53 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3kb4 h LEU 53 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kb4 h LEU 53 CO 0.00 0.00 -0.46 0.42 0.09 0.00 0.00 178.44 178.49 3kb4 s THR 54 N -3.47 5.00 0.08 0.22 -4.23 -1.25 -4.99 115.64 107.00 3kb4 s THR 54 Ca 0.04 -1.10 -0.35 0.00 -1.18 0.00 0.00 61.69 59.09 3kb4 s THR 54 Cb 0.07 -3.70 -0.17 0.00 1.34 0.00 0.00 72.50 70.04 3kb4 s THR 54 CO 0.60 -0.32 1.57 1.55 -0.54 0.00 0.00 174.62 177.48 3kb4 h PRO 55 N 1.34 -0.97 0.00 3.99 0.13 -1.91 -1.60 132.00 132.97 3kb4 h PRO 55 Ca -0.51 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3kb4 h PRO 55 Cb 1.23 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.58 3kb4 h PRO 55 CO 0.61 -0.65 0.00 -0.56 -0.23 0.00 0.00 178.00 177.17 3kb4 h GLN 56 N -1.01 0.00 0.34 0.86 3.07 -1.95 -2.20 115.11 114.22 3kb4 h GLN 56 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 3kb4 h GLN 56 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.43 3kb4 h GLN 56 CO -0.02 0.00 -0.16 0.78 0.09 0.00 0.00 178.83 179.52 3kb4 h GLY 57 N 0.86 -0.48 1.14 0.06 0.00 -1.47 -0.79 103.07 102.40 3kb4 h GLY 57 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.52 3kb4 h GLY 57 CO 0.00 -0.17 0.58 0.07 0.00 0.00 0.00 176.54 177.01 3kb4 h LYS 58 N -0.59 1.14 -0.99 4.80 2.10 -1.32 -1.84 116.57 119.88 3kb4 h LYS 58 Ca -0.05 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.56 3kb4 h LYS 58 Cb 0.35 -0.26 -0.05 0.00 -0.90 0.00 0.00 32.23 31.37 3kb4 h LYS 58 CO 0.08 0.76 0.65 0.37 -2.00 0.00 0.00 179.45 179.30 3kb4 h GLN 59 N 1.18 1.25 -0.14 0.07 4.15 -1.44 -1.71 115.11 118.47 3kb4 h GLN 59 Ca 0.32 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.62 3kb4 h GLN 59 Cb -0.13 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.26 3kb4 h GLN 59 CO -0.07 0.83 -0.10 0.00 -1.93 0.00 0.00 178.83 177.55 3kb4 h ALA 60 N 1.38 1.58 0.03 3.38 0.00 -0.26 -0.77 119.26 124.59 3kb4 h ALA 60 Ca 0.38 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.89 3kb4 h ALA 60 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3kb4 h ALA 60 CO -0.10 0.31 -0.98 0.74 0.00 0.00 0.00 179.25 179.22 3kb4 h PHE 61 N 0.20 0.31 0.16 0.00 0.04 -1.16 0.36 116.94 116.85 3kb4 h PHE 61 Ca 0.04 -0.19 -0.22 0.00 2.80 0.00 0.00 57.97 60.40 3kb4 h PHE 61 Cb 0.32 -0.03 0.02 0.00 2.20 0.00 0.00 35.95 38.46 3kb4 h PHE 61 CO 0.00 1.06 -0.99 1.05 -0.60 0.00 0.00 178.31 178.83 3kb4 h GLU 62 N 0.09 0.34 0.00 1.51 4.11 -1.18 -3.34 114.58 116.11 3kb4 h GLU 62 Ca -0.06 -0.59 -0.17 0.00 0.07 0.00 0.00 59.36 58.62 3kb4 h GLU 62 Cb 1.65 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 3kb4 h GLU 62 CO 0.15 1.28 -0.80 -0.44 0.07 0.00 0.00 179.01 179.28 3kb4 h ASP 63 N -0.27 0.00 -6.08 3.06 3.45 -1.26 -3.49 116.42 111.83 3kb4 h ASP 63 Ca -0.18 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 56.91 3kb4 h ASP 63 Cb 1.76 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 40.62 3kb4 h ASP 63 CO 0.17 0.80 -0.87 0.54 -1.57 0.00 0.00 179.24 178.31 3kb4 n ARG 64 N -3.34 -1.38 -1.20 3.56 1.74 0.12 -5.07 116.66 111.09 3kb4 n ARG 64 Ca 0.01 0.61 -0.29 0.00 -0.77 0.00 0.00 57.85 57.41 3kb4 n ARG 64 Cb 0.84 -4.38 0.19 0.00 -1.02 0.00 0.00 32.46 28.09 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 -5.47 0.06 -0.25 5.56 0.04 -1.25 -5.04 135.00 128.64 3kb4 s PRO 65 Ca 0.41 0.32 -0.10 0.00 0.04 0.00 0.00 61.00 61.67 3kb4 s PRO 65 Cb -0.13 -1.71 -0.15 0.00 0.04 0.00 0.00 34.50 32.54 3kb4 s PRO 65 CO 0.84 -2.94 -0.20 1.28 0.04 0.00 0.00 177.00 176.02 3kb4 n LEU 67 N -4.29 2.26 0.00 -3.56 4.77 -1.26 -4.95 117.00 109.97 3kb4 n LEU 67 Ca 0.07 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3kb4 n LEU 67 Cb 0.58 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3kb4 n LEU 67 CO 0.54 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 3kb4 n GLY 68 N 1.59 -2.84 3.73 -0.72 0.00 -1.26 -4.82 105.19 100.87 3kb4 n GLY 68 Ca -0.48 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.97 4.16 0.01 1.61 2.47 -1.26 -5.00 119.74 120.77 3kb4 s LYS 69 Ca 0.00 2.51 0.07 0.00 -1.56 0.00 0.00 55.97 56.98 3kb4 s LYS 69 Cb 0.00 -3.08 -0.03 0.00 -1.46 0.00 0.00 37.83 33.26 3kb4 s LYS 69 CO 0.00 -0.65 -0.20 -1.50 0.16 0.00 0.00 175.35 173.16 3kb4 s ILE 70 N 0.73 2.62 -0.42 5.43 1.10 -1.26 -5.09 121.20 124.31 3kb4 s ILE 70 Ca 0.69 -1.09 -0.01 0.00 -0.51 0.00 0.00 60.65 59.72 3kb4 s ILE 70 Cb -0.47 -2.04 0.11 0.00 0.15 0.00 0.00 42.46 40.21 3kb4 s ILE 70 CO 0.37 0.45 0.20 -0.62 -2.11 0.00 0.00 174.94 173.23 3kb4 s ASP 71 N -1.09 5.14 0.10 4.50 3.68 -1.26 -5.00 116.67 122.74 3kb4 s ASP 71 Ca 0.13 -2.16 -0.31 0.00 2.13 0.00 0.00 52.55 52.34 3kb4 s ASP 71 Cb -0.10 -1.79 -0.13 0.00 -1.45 0.00 0.00 42.92 39.45 3kb4 s ASP 71 CO 0.02 -0.49 1.61 -0.07 0.13 0.00 0.00 175.17 176.38 3kb4 h LEU 72 N 7.83 -0.97 -1.74 -1.34 3.38 -1.98 -1.98 115.31 118.51 3kb4 h LEU 72 Ca -0.10 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.08 3kb4 h LEU 72 Cb 1.03 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 3kb4 h LEU 72 CO 0.67 -0.49 0.41 1.05 0.09 0.00 0.00 178.44 180.17 3kb4 h GLU 73 N -0.71 0.27 0.00 1.13 -0.00 -1.96 0.32 114.58 113.63 3kb4 h GLU 73 Ca -0.02 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.36 59.22 3kb4 h GLU 73 Cb 0.65 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.33 3kb4 h GLU 73 CO -0.09 0.18 -0.50 0.37 -0.00 0.00 0.00 179.01 178.97 3kb4 h GLN 74 N 0.28 0.00 0.00 1.06 4.15 -1.89 -3.03 115.11 115.68 3kb4 h GLN 74 Ca 0.29 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.51 3kb4 h GLN 74 Cb 0.74 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 3kb4 h GLN 74 CO -0.06 0.50 -1.21 -0.07 -1.93 0.00 0.00 178.83 176.05 3kb4 h LEU 75 N 0.00 0.00 0.00 -2.39 3.38 -0.03 -3.24 115.31 113.02 3kb4 h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kb4 h LEU 75 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3kb4 h LEU 75 CO 0.06 0.77 0.00 1.57 0.09 0.00 0.00 178.44 180.93 3kb4 n HIS 76 N -3.10 0.00 0.79 1.13 -0.00 0.84 -2.26 115.22 112.62 3kb4 n HIS 76 Ca -0.07 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.23 3kb4 n HIS 76 Cb 0.90 -0.27 0.19 0.00 -0.12 0.00 0.00 29.99 30.68 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 -1.27 0.14 -1.44 1.57 1.13 -1.20 -4.92 117.38 111.39 3kb4 n GLN 77 Ca 0.09 0.03 -0.30 0.00 -1.94 0.00 0.00 57.00 54.88 3kb4 n GLN 77 Cb 0.15 -1.58 0.11 0.00 0.11 0.00 0.00 30.24 29.03 3kb4 n GLN 77 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3kb4 s LEU 78 N -3.54 2.50 0.36 1.08 1.02 -0.96 -4.97 118.68 114.18 3kb4 s LEU 78 Ca 0.08 1.37 -0.27 0.00 0.02 0.00 0.00 54.13 55.33 3kb4 s LEU 78 Cb 0.16 -3.93 -0.12 0.00 0.02 0.00 0.00 46.19 42.32 3kb4 s LEU 78 CO 0.72 -2.18 1.26 -2.65 0.02 0.00 0.00 176.35 173.52 3kb4 n PRO 79 N -3.57 2.00 -0.10 1.29 -0.02 -1.26 -4.76 135.00 128.57 3kb4 n PRO 79 Ca 0.07 0.70 0.27 0.00 -2.02 0.00 0.00 63.50 62.52 3kb4 n PRO 79 Cb 0.56 -2.30 0.68 0.00 -0.02 0.00 0.00 33.50 32.42 3kb4 n PRO 79 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3kb4 h ASN 80 N 2.35 0.00 0.06 2.55 2.35 -1.94 -0.97 115.58 119.99 3kb4 h ASN 80 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3kb4 h ASN 80 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3kb4 h ASN 80 CO 0.61 0.00 -0.05 0.00 -1.65 0.00 0.00 177.43 176.34 3kb4 n TYR 81 N -3.75 0.00 -2.44 1.19 4.11 -1.26 -4.88 117.16 110.13 3kb4 n TYR 81 Ca 0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.79 3kb4 n TYR 81 Cb 1.01 -0.04 0.01 0.00 -0.00 0.00 0.00 39.34 40.33 3kb4 n TYR 81 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 3kb4 s THR 82 N -2.12 4.46 0.08 -3.48 -4.23 -0.37 -0.73 115.64 109.25 3kb4 s THR 82 Ca 0.36 0.24 -0.22 0.00 -1.18 0.00 0.00 61.69 60.89 3kb4 s THR 82 Cb 0.21 -3.73 -0.13 0.00 1.34 0.00 0.00 72.50 70.19 3kb4 s THR 82 CO 0.38 -0.77 1.67 0.25 -0.54 0.00 0.00 174.62 175.61 3kb4 h LEU 83 N 0.00 0.10 -0.58 4.79 6.46 -1.24 -2.96 115.31 121.89 3kb4 h LEU 83 Ca -0.46 -0.09 0.12 0.00 -0.12 0.00 0.00 57.88 57.32 3kb4 h LEU 83 Cb 1.22 -0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 41.03 3kb4 h LEU 83 CO 0.61 0.17 0.00 1.23 -0.62 0.00 0.00 178.44 179.83 3kb4 h GLY 84 N 0.03 0.61 -1.67 3.75 0.00 -1.03 0.16 103.07 104.92 3kb4 h GLY 84 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3kb4 h GLY 84 CO -0.00 -0.18 0.00 2.98 0.00 0.00 0.00 176.54 179.34 3kb4 n TYR 85 N -5.26 0.00 0.00 5.60 4.19 -1.12 -1.31 117.16 119.26 3kb4 n TYR 85 Ca 0.08 -0.17 0.00 0.00 3.31 0.00 0.00 57.90 61.12 3kb4 n TYR 85 Cb 0.33 -0.13 0.00 0.00 0.49 0.00 0.00 39.34 40.02 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 0.59 0.00 -0.31 2.98 4.19 0.56 0.32 117.16 125.50 3kb4 n TYR 87 Ca 0.00 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.24 3kb4 n TYR 87 Cb 0.21 0.00 0.17 0.00 0.49 0.00 0.00 39.34 40.21 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 1.22 -0.27 2.98 0.00 -1.41 -1.67 119.26 120.11 3kb4 h ALA 88 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kb4 h ALA 88 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kb4 h ALA 88 CO 0.00 0.16 0.15 0.22 0.00 0.00 0.00 179.25 179.78 3kb4 h ASP 89 N 0.87 0.35 0.00 0.00 3.58 -0.36 -1.43 116.42 119.42 3kb4 h ASP 89 Ca 0.41 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.76 3kb4 h ASP 89 Cb 0.33 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.29 3kb4 h ASP 89 CO -0.23 0.34 0.00 1.57 -2.88 0.00 0.00 179.24 178.04 3kb4 n HIS 90 N -4.83 0.00 0.00 0.28 -0.00 -0.63 -1.34 115.22 108.70 3kb4 n HIS 90 Ca -0.02 -0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 3kb4 n HIS 90 Cb 0.08 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3kb4 n HIS 90 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 3kb4 n ILE 92 N 0.89 0.00 0.29 3.57 5.41 -0.54 -2.95 119.36 126.03 3kb4 n ILE 92 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 3kb4 n ILE 92 Cb 0.00 0.00 0.21 0.00 -0.71 0.00 0.00 39.64 39.14 3kb4 n ILE 92 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3kb4 n ARG 93 N 0.00 0.02 -0.00 0.38 1.85 -0.45 -1.39 116.66 117.06 3kb4 n ARG 93 Ca 0.00 0.37 0.05 0.00 -1.00 0.00 0.00 57.85 57.27 3kb4 n ARG 93 Cb 0.00 -1.54 -0.07 0.00 -1.05 0.00 0.00 32.46 29.81 3kb4 n ARG 93 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3kb4 n ASN 94 N -1.57 1.16 -2.70 2.89 3.02 -1.15 -5.08 115.26 111.83 3kb4 n ASN 94 Ca 0.02 -0.50 -0.00 0.00 -0.03 0.00 0.00 54.58 54.06 3kb4 n ASN 94 Cb 0.10 1.15 -0.00 0.00 -0.61 0.00 0.00 39.78 40.43 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 -1.44 -3.48 -3.59 3.52 6.02 -0.49 -5.07 117.38 112.86 3kb4 n GLN 95 Ca 0.01 2.78 -0.15 0.00 -0.01 0.00 0.00 57.00 59.63 3kb4 n GLN 95 Cb 0.20 -5.33 -0.07 0.00 1.02 0.00 0.00 30.24 26.06 3kb4 n GLN 95 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3kb4 s LEU 96 N -1.60 -0.66 0.06 1.08 2.34 -1.26 -5.03 118.68 113.60 3kb4 s LEU 96 Ca -0.00 1.06 -0.06 0.00 0.06 0.00 0.00 54.13 55.18 3kb4 s LEU 96 Cb 0.00 2.40 -0.05 0.00 -0.56 0.00 0.00 46.19 47.98 3kb4 s LEU 96 CO 0.77 -0.38 0.32 0.28 -1.06 0.00 0.00 176.35 176.29 3kb4 s THR 97 N -0.30 5.23 0.00 5.48 -1.32 -1.26 -4.83 115.64 118.65 3kb4 s THR 97 Ca -0.04 0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 3kb4 s THR 97 Cb -0.03 -3.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.36 3kb4 s THR 97 CO 0.04 0.26 0.00 -0.81 -2.21 0.00 0.00 174.62 171.89 3kb4 n PRO 98 N 0.77 0.67 -1.66 7.08 -0.04 -1.26 -5.19 135.00 135.37 3kb4 n PRO 98 Ca -0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.99 3kb4 n PRO 98 Cb 0.52 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.02 3kb4 n PRO 98 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kb4 n ASN 104 N -0.69 1.57 -2.80 3.54 6.94 -1.26 -5.10 115.26 117.46 3kb4 n ASN 104 Ca 0.00 0.91 -0.11 0.00 -0.02 0.00 0.00 54.58 55.36 3kb4 n ASN 104 Cb 0.00 -1.45 0.03 0.00 -2.36 0.00 0.00 39.78 36.00 3kb4 n ASN 104 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3kb4 n VAL 105 N -1.26 0.53 0.16 3.53 0.24 -1.26 -4.81 118.33 115.46 3kb4 n VAL 105 Ca 0.12 -3.17 -0.13 0.00 -2.04 0.00 0.00 64.34 59.12 3kb4 n VAL 105 Cb 0.45 0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 33.26 3kb4 n VAL 105 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3kb4 h ASN 106 N 2.88 -0.37 -3.80 -1.34 2.35 -1.99 -3.41 115.58 109.89 3kb4 h ASN 106 Ca -0.07 -0.17 -0.48 0.00 -0.55 0.00 0.00 56.30 55.03 3kb4 h ASN 106 Cb 1.14 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 3kb4 h ASN 106 CO 0.41 0.03 0.34 -1.00 -1.65 0.00 0.00 177.43 175.56 3kb4 s HIS 107 N -4.38 3.85 0.15 1.19 3.76 -1.26 -4.94 115.29 113.66 3kb4 s HIS 107 Ca -0.14 1.85 -0.29 0.00 -0.15 0.00 0.00 55.06 56.33 3kb4 s HIS 107 Cb 0.02 -2.95 -0.03 0.00 1.11 0.00 0.00 32.58 30.73 3kb4 s HIS 107 CO 0.50 0.35 1.57 -1.35 -0.85 0.00 0.00 174.74 174.96 3kb4 h PRO 108 N 3.71 -0.35 -1.29 8.40 0.11 -1.92 -1.38 132.00 139.28 3kb4 h PRO 108 Ca -0.46 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kb4 h PRO 108 Cb 1.20 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kb4 h PRO 108 CO 0.67 -0.23 0.00 1.19 -0.21 0.00 0.00 178.00 179.41 3kb4 n PHE 109 N -5.41 0.00 0.00 0.65 3.72 -1.26 -1.19 117.46 113.97 3kb4 n PHE 109 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3kb4 n PHE 109 Cb 0.35 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 0.77 0.00 -0.22 1.38 7.35 -0.52 -2.55 117.46 123.66 3kb4 n PHE 111 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 3kb4 n PHE 111 Cb 0.00 0.00 0.13 0.00 0.35 0.00 0.00 39.48 39.96 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 -0.22 -0.54 -2.13 5.85 -1.42 0.35 115.31 117.20 3kb4 h LEU 112 Ca 0.00 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 3kb4 h LEU 112 Cb 0.00 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3kb4 h LEU 112 CO 0.00 -0.11 -0.57 0.00 -0.34 0.00 0.00 178.44 177.42 3kb4 h ALA 113 N 1.60 0.73 0.11 1.25 0.00 -1.75 -2.54 119.26 118.64 3kb4 h ALA 113 Ca 0.36 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3kb4 h ALA 113 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kb4 h ALA 113 CO -0.55 0.70 -0.05 0.00 0.00 0.00 0.00 179.25 179.35 3kb4 h ALA 114 N 1.02 -0.15 0.34 0.00 0.00 -1.41 -1.40 119.26 117.66 3kb4 h ALA 114 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kb4 h ALA 114 Cb 1.11 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3kb4 h ALA 114 CO 0.10 -0.38 -0.41 1.25 0.00 0.00 0.00 179.25 179.82 3kb4 h HIS 115 N -0.55 -1.12 -0.35 0.00 6.17 -0.43 0.65 115.15 119.52 3kb4 h HIS 115 Ca -0.01 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.11 3kb4 h HIS 115 Cb 0.44 0.45 -0.02 0.00 2.52 0.00 0.00 27.41 30.80 3kb4 h HIS 115 CO 0.05 -0.55 0.23 -0.07 0.71 0.00 0.00 177.93 178.31 3kb4 h LEU 116 N -0.78 0.29 -0.25 0.26 3.38 -1.54 -0.48 115.31 116.19 3kb4 h LEU 116 Ca -0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3kb4 h LEU 116 Cb 0.72 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3kb4 h LEU 116 CO -0.11 0.20 -0.14 1.23 0.09 0.00 0.00 178.44 179.72 3kb4 h GLY 117 N 0.34 0.58 1.84 0.83 0.00 -0.36 -2.69 103.07 103.61 3kb4 h GLY 117 Ca 0.14 -0.53 -0.21 0.00 0.00 0.00 0.00 47.33 46.73 3kb4 h GLY 117 CO -0.03 0.48 -1.06 1.05 0.00 0.00 0.00 176.54 176.99 3kb4 h GLU 118 N 0.26 0.00 -0.02 4.80 4.11 -0.48 -3.27 114.58 119.98 3kb4 h GLU 118 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3kb4 h GLU 118 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3kb4 h GLU 118 CO 0.04 0.87 0.00 0.25 0.07 0.00 0.00 179.01 180.24 3kb4 n THR 119 N -3.29 0.01 -0.14 -1.06 -2.24 -0.23 -4.29 114.28 103.05 3kb4 n THR 119 Ca -0.02 -0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 3kb4 n THR 119 Cb 0.93 0.12 0.02 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.45 -0.28 -0.22 4.78 6.17 -1.53 -0.21 115.15 125.31 3kb4 h HIS 120 Ca 0.00 0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.08 3kb4 h HIS 120 Cb 0.31 0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.42 3kb4 h HIS 120 CO 0.01 -0.21 -0.03 -0.44 0.71 0.00 0.00 177.93 177.96 3kb4 h ASP 121 N -0.02 0.30 -0.21 3.26 5.19 -1.85 -2.45 116.42 120.64 3kb4 h ASP 121 Ca 0.22 -0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.53 3kb4 h ASP 121 Cb 0.35 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 3kb4 h ASP 121 CO -0.47 0.38 -0.05 0.40 -3.12 0.00 0.00 179.24 176.38 3kb4 h ILE 122 N 0.32 1.29 -0.73 0.35 2.04 -1.38 -2.66 117.51 116.74 3kb4 h ILE 122 Ca 0.07 -1.05 0.12 0.00 1.00 0.00 0.00 64.86 65.00 3kb4 h ILE 122 Cb 0.27 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 3kb4 h ILE 122 CO 0.01 0.32 0.48 -0.50 0.00 0.00 0.00 178.15 178.46 3kb4 h TRP 123 N 0.13 0.58 -0.11 1.37 4.06 -0.74 0.31 115.95 121.56 3kb4 h TRP 123 Ca 0.05 0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.03 3kb4 h TRP 123 Cb 0.51 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.47 3kb4 h TRP 123 CO 0.05 0.25 0.04 1.25 -3.56 0.00 0.00 178.44 176.48 3kb4 h HIS 124 N 0.53 0.08 0.26 0.49 2.76 -1.12 -1.25 115.15 116.91 3kb4 h HIS 124 Ca 0.34 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 3kb4 h HIS 124 Cb 0.62 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.57 3kb4 h HIS 124 CO -0.00 0.04 -0.13 0.28 -1.30 0.00 0.00 177.93 176.83 3kb4 h VAL 125 N 0.10 0.77 -0.29 5.26 2.07 -0.83 -0.88 116.25 122.44 3kb4 h VAL 125 Ca 0.04 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.95 3kb4 h VAL 125 Cb 0.01 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3kb4 h VAL 125 CO -0.04 0.13 0.20 0.58 0.02 0.00 0.00 177.57 178.46 3kb4 h VAL 126 N -0.72 0.98 0.00 2.57 2.07 -1.04 -1.76 116.25 118.36 3kb4 h VAL 126 Ca -0.04 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3kb4 h VAL 126 Cb 0.49 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3kb4 h VAL 126 CO 0.06 0.04 -0.93 1.07 0.02 0.00 0.00 177.57 177.84 3kb4 n THR 127 N -4.49 0.49 -1.65 2.57 5.66 -0.47 -4.86 114.28 111.54 3kb4 n THR 127 Ca 0.03 -0.44 -0.03 0.00 -3.05 0.00 0.00 64.05 60.55 3kb4 n THR 127 Cb 0.20 -0.22 -0.01 0.00 -1.55 0.00 0.00 70.33 68.75 3kb4 n THR 127 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kb4 n GLY 128 N 1.24 0.40 3.73 1.09 0.00 -0.41 -4.88 105.19 106.36 3kb4 n GLY 128 Ca 0.01 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 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 0.34 1.89 0.01 0.00 -0.00 -1.26 -4.80 116.67 112.85 3kb4 s ASP 130 Ca 0.39 1.70 0.25 0.00 -0.00 0.00 0.00 52.55 54.89 3kb4 s ASP 130 Cb -0.19 -2.35 0.54 0.00 -0.00 0.00 0.00 42.92 40.91 3kb4 s ASP 130 CO 0.21 -3.66 1.44 1.07 -0.00 0.00 0.00 175.17 174.23 3kb4 n THR 131 N -4.57 0.04 -0.89 -1.27 5.66 -1.26 -4.03 114.28 107.95 3kb4 n THR 131 Ca 0.06 -0.03 -0.30 0.00 -3.05 0.00 0.00 64.05 60.72 3kb4 n THR 131 Cb 0.54 0.15 0.25 0.00 -1.55 0.00 0.00 70.33 69.72 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 -3.15 0.39 0.14 1.09 1.47 -1.26 -4.72 116.67 110.62 3kb4 s ASP 132 Ca 0.11 0.70 -0.18 0.00 1.18 0.00 0.00 52.55 54.35 3kb4 s ASP 132 Cb 0.17 -0.97 -0.02 0.00 -0.34 0.00 0.00 42.92 41.76 3kb4 s ASP 132 CO 0.69 -4.46 1.79 0.11 0.68 0.00 0.00 175.17 173.98 3kb4 h LYS 133 N -2.81 0.35 0.00 2.11 1.57 -2.00 -1.90 116.57 113.89 3kb4 h LYS 133 Ca -0.45 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 3kb4 h LYS 133 Cb 1.31 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3kb4 h LYS 133 CO 0.33 0.23 -0.20 -1.00 -0.57 0.00 0.00 179.45 178.24 3kb4 h PRO 134 N 0.37 0.00 -0.15 3.15 0.13 -1.92 -1.48 132.00 132.09 3kb4 h PRO 134 Ca 0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.13 3kb4 h PRO 134 Cb -0.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 3kb4 h PRO 134 CO -0.05 0.20 -0.38 0.78 -0.23 0.00 0.00 178.00 178.32 3kb4 h GLY 135 N 0.74 0.36 1.22 1.56 0.00 -1.58 -0.88 103.07 104.48 3kb4 h GLY 135 Ca -0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 3kb4 h GLY 135 CO 0.03 0.30 -0.40 0.83 0.00 0.00 0.00 176.54 177.30 3kb4 h GLU 136 N 0.28 0.85 -0.49 4.80 4.39 -0.54 -1.23 114.58 122.64 3kb4 h GLU 136 Ca 0.03 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.22 3kb4 h GLU 136 Cb 0.80 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 3kb4 h GLU 136 CO 0.06 1.09 0.07 0.28 -1.16 0.00 0.00 179.01 179.36 3kb4 h VAL 137 N 0.70 1.25 -0.61 3.13 2.07 -1.20 -0.15 116.25 121.43 3kb4 h VAL 137 Ca 0.06 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.70 3kb4 h VAL 137 Cb 0.97 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3kb4 h VAL 137 CO 0.09 0.33 0.32 0.50 0.02 0.00 0.00 177.57 178.84 3kb4 h LYS 138 N 0.68 0.59 -0.55 1.57 3.64 -0.98 0.11 116.57 121.63 3kb4 h LYS 138 Ca 0.15 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 3kb4 h LYS 138 Cb 0.40 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3kb4 h LYS 138 CO 0.01 0.39 -0.09 1.25 -2.27 0.00 0.00 179.45 178.73 3kb4 h LEU 139 N 0.60 1.03 -0.80 5.20 6.46 -0.85 -2.23 115.31 124.71 3kb4 h LEU 139 Ca 0.28 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 3kb4 h LEU 139 Cb 0.19 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 3kb4 h LEU 139 CO -0.18 1.13 0.43 -0.33 -0.62 0.00 0.00 178.44 178.87 3kb4 h GLU 140 N 0.91 1.13 -0.73 1.25 5.08 -0.10 -0.61 114.58 121.51 3kb4 h GLU 140 Ca 0.14 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3kb4 h GLU 140 Cb 0.66 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3kb4 h GLU 140 CO 0.05 0.84 0.27 0.00 -1.00 0.00 0.00 179.01 179.17 3kb4 h ALA 141 N 1.23 1.10 -0.55 3.43 0.00 -0.68 -0.78 119.26 123.00 3kb4 h ALA 141 Ca 0.28 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kb4 h ALA 141 Cb 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3kb4 h ALA 141 CO -0.04 0.63 0.34 0.35 0.00 0.00 0.00 179.25 180.53 3kb4 h PHE 142 N 1.07 0.63 -0.19 0.00 3.57 -0.71 -1.90 116.94 119.40 3kb4 h PHE 142 Ca 0.24 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3kb4 h PHE 142 Cb 0.24 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3kb4 h PHE 142 CO 0.02 0.36 0.08 1.88 -2.23 0.00 0.00 178.31 178.42 3kb4 h TYR 143 N 0.67 0.28 0.00 0.41 -1.99 -0.54 -2.37 116.97 113.44 3kb4 h TYR 143 Ca 0.22 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.90 3kb4 h TYR 143 Cb 0.01 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 38.65 3kb4 h TYR 143 CO -0.06 0.32 -0.14 1.79 -0.00 0.00 0.00 178.16 180.08 3kb4 h THR 144 N 0.16 1.03 -0.41 -2.88 1.35 -0.90 0.20 112.91 111.46 3kb4 h THR 144 Ca 0.06 -0.48 -0.14 0.00 -0.55 0.00 0.00 66.41 65.30 3kb4 h THR 144 Cb 0.15 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 3kb4 h THR 144 CO -0.01 0.14 -0.31 0.00 -0.25 0.00 0.00 175.52 175.09 3kb4 h ALA 145 N 1.86 0.67 0.00 6.62 0.00 -1.08 -3.31 119.26 124.02 3kb4 h ALA 145 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 3kb4 h ALA 145 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kb4 h ALA 145 CO 0.02 0.67 -1.12 1.96 0.00 0.00 0.00 179.25 180.77 3kb4 h GLN 146 N 0.77 0.00 -0.58 0.00 4.20 -0.73 -3.39 115.11 115.39 3kb4 h GLN 146 Ca 0.08 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3kb4 h GLN 146 Cb 0.88 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3kb4 h GLN 146 CO 0.08 0.20 0.05 1.28 -0.67 0.00 0.00 178.83 179.77 3kb4 n LEU 147 N -2.86 5.67 -4.66 1.46 7.99 0.60 -5.00 117.00 120.20 3kb4 n LEU 147 Ca -0.05 -3.00 -0.44 0.00 -0.01 0.00 0.00 56.01 52.51 3kb4 n LEU 147 Cb 0.72 -0.69 -0.02 0.00 -0.11 0.00 0.00 43.42 43.33 3kb4 n LEU 147 CO 0.41 0.67 0.85 -0.38 -1.51 0.00 0.00 177.39 177.44 3kb4 n ILE 148 N 0.38 1.65 -1.64 -0.08 5.41 -1.25 -0.15 119.36 123.68 3kb4 n ILE 148 Ca 0.30 -0.41 -0.33 0.00 1.00 0.00 0.00 62.75 63.31 3kb4 n ILE 148 Cb 1.21 -1.39 -0.00 0.00 -0.71 0.00 0.00 39.64 38.75 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 1.07 2.54 -1.10 0.38 -0.04 -1.26 -4.82 135.00 131.76 3kb4 n PRO 149 Ca 0.08 -2.88 -0.33 0.00 -0.04 0.00 0.00 63.50 60.34 3kb4 n PRO 149 Cb 0.33 -2.18 0.12 0.00 -0.04 0.00 0.00 33.50 31.74 3kb4 n PRO 149 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3kb4 s ASP 150 N -0.41 3.67 -0.01 3.54 -1.08 0.78 -4.93 116.67 118.22 3kb4 s ASP 150 Ca 0.55 2.24 0.02 0.00 -0.52 0.00 0.00 52.55 54.84 3kb4 s ASP 150 Cb 0.41 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 39.27 3kb4 s ASP 150 CO -0.28 -2.61 0.02 0.54 0.52 0.00 0.00 175.17 173.36 3kb4 n ARG 151 N -3.44 2.39 0.09 4.34 1.74 -1.26 -4.76 116.66 115.75 3kb4 n ARG 151 Ca 0.12 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.08 3kb4 n ARG 151 Cb 0.51 -1.05 -0.05 0.00 -1.02 0.00 0.00 32.46 30.85 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 -0.53 -1.44 0.55 5.85 -1.93 -2.58 115.31 115.22 3kb4 h LEU 152 Ca -0.04 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3kb4 h LEU 152 Cb 0.76 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3kb4 h LEU 152 CO 0.00 -0.26 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.52 3kb4 h PHE 153 N -0.34 0.30 -0.45 1.25 0.04 -1.93 -0.08 116.94 115.73 3kb4 h PHE 153 Ca 0.03 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3kb4 h PHE 153 Cb 0.38 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3kb4 h PHE 153 CO -0.20 0.36 0.12 1.25 -0.60 0.00 0.00 178.31 179.24 3kb4 h LEU 154 N 0.29 0.67 -1.08 1.54 6.46 -1.82 -1.75 115.31 119.61 3kb4 h LEU 154 Ca 0.06 -0.22 -0.07 0.00 -0.12 0.00 0.00 57.88 57.54 3kb4 h LEU 154 Cb 0.29 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 3kb4 h LEU 154 CO 0.01 0.71 -0.05 0.00 -0.62 0.00 0.00 178.44 178.49 3kb4 h ALA 155 N 0.98 1.24 -0.69 1.25 0.00 -0.92 -1.38 119.26 119.74 3kb4 h ALA 155 Ca 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3kb4 h ALA 155 Cb 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kb4 h ALA 155 CO -0.00 0.50 0.20 -0.07 0.00 0.00 0.00 179.25 179.88 3kb4 h LEU 156 N 0.56 1.00 -0.60 0.00 4.07 -0.68 0.12 115.31 119.78 3kb4 h LEU 156 Ca 0.11 -0.19 -0.09 0.00 0.08 0.00 0.00 57.88 57.80 3kb4 h LEU 156 Cb 0.43 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 3kb4 h LEU 156 CO 0.02 0.94 0.04 -0.07 -1.08 0.00 0.00 178.44 178.29 3kb4 h LEU 157 N 1.02 1.00 -0.37 1.67 3.38 -0.77 -1.65 115.31 119.59 3kb4 h LEU 157 Ca 0.22 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3kb4 h LEU 157 Cb 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3kb4 h LEU 157 CO -0.01 1.04 0.22 0.00 0.09 0.00 0.00 178.44 179.79 3kb4 h ALA 158 N 0.99 0.46 -0.14 1.53 0.00 -0.20 -0.70 119.26 121.21 3kb4 h ALA 158 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3kb4 h ALA 158 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kb4 h ALA 158 CO 0.02 -0.12 -0.30 1.57 0.00 0.00 0.00 179.25 180.43 3kb4 h LYS 159 N 0.45 0.26 -0.02 0.00 5.09 -0.59 -1.50 116.57 120.24 3kb4 h LYS 159 Ca 0.14 -0.09 -0.16 0.00 0.09 0.00 0.00 60.65 60.63 3kb4 h LYS 159 Cb -0.01 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 32.29 3kb4 h LYS 159 CO -0.06 0.54 -0.69 -0.91 -2.09 0.00 0.00 179.45 176.23 3kb4 h ASN 160 N 0.23 0.15 -0.24 7.07 2.35 -0.75 -0.57 115.58 123.82 3kb4 h ASN 160 Ca 0.03 -0.10 -0.17 0.00 -0.55 0.00 0.00 56.30 55.51 3kb4 h ASN 160 Cb 0.64 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 3kb4 h ASN 160 CO 0.05 0.80 -0.48 -0.07 -1.65 0.00 0.00 177.43 176.07 3kb4 h LEU 161 N 0.09 0.89 -0.61 1.61 3.38 -0.86 -1.55 115.31 118.26 3kb4 h LEU 161 Ca -0.01 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 3kb4 h LEU 161 Cb 1.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3kb4 h LEU 161 CO 0.10 1.22 -0.12 0.25 0.09 0.00 0.00 178.44 179.98 3kb4 h LEU 162 N 0.64 0.97 -0.50 1.67 5.85 -1.15 -1.64 115.31 121.16 3kb4 h LEU 162 Ca 0.03 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 3kb4 h LEU 162 Cb 1.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3kb4 h LEU 162 CO 0.11 1.09 0.17 0.11 -0.34 0.00 0.00 178.44 179.58 3kb4 h LYS 163 N 0.86 0.76 -0.44 1.25 1.57 -0.99 -2.89 116.57 116.68 3kb4 h LYS 163 Ca 0.13 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kb4 h LYS 163 Cb 0.67 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3kb4 h LYS 163 CO 0.05 0.70 0.29 1.15 -0.57 0.00 0.00 179.45 181.07 3kb4 h THR 164 N 0.67 1.12 0.00 -0.16 2.02 -1.10 0.29 112.91 115.74 3kb4 h THR 164 Ca 0.16 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3kb4 h THR 164 Cb 0.25 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3kb4 h THR 164 CO -0.01 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.00 3kb4 n ALA 165 N -2.22 1.48 -0.03 6.16 0.00 -0.63 -0.30 120.51 124.97 3kb4 n ALA 165 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.55 3kb4 n ALA 165 Cb 0.03 -1.00 0.15 0.00 0.00 0.00 0.00 19.45 18.63 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 0.15 0.00 -2.98 0.00 4.01 0.10 -4.63 117.16 113.82 3kb4 n TYR 167 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 3kb4 n TYR 167 Cb 0.05 -0.09 0.02 0.00 -0.31 0.00 0.00 39.34 39.01 3kb4 n TYR 167 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3kb4 n GLU 168 N -2.04 1.00 0.32 -0.72 2.13 -0.84 -4.95 120.64 115.53 3kb4 n GLU 168 Ca 0.08 -2.76 0.18 0.00 0.66 0.00 0.00 57.16 55.32 3kb4 n GLU 168 Cb 0.70 -1.38 0.94 0.00 0.27 0.00 0.00 31.44 31.97 3kb4 n GLU 168 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 3kb4 h VAL 169 N 1.89 0.06 -0.15 6.31 3.04 -0.92 -0.92 116.25 125.56 3kb4 h VAL 169 Ca 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.74 3kb4 h VAL 169 Cb 1.04 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 3kb4 h VAL 169 CO 0.34 0.00 0.11 -0.33 -1.01 0.00 0.00 177.57 176.68 3kb4 h GLU 170 N 0.00 0.00 -0.00 4.17 3.07 -1.93 -0.95 114.58 118.94 3kb4 h GLU 170 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3kb4 h GLU 170 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3kb4 h GLU 170 CO -0.00 0.00 -0.02 1.28 -1.40 0.00 0.00 179.01 178.87 3kb4 n LEU 171 N -4.36 0.16 -0.32 1.33 4.77 -0.35 -4.41 117.00 113.81 3kb4 n LEU 171 Ca 0.01 0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 56.04 3kb4 n LEU 171 Cb 0.24 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kb4 n LEU 171 CO 0.33 0.03 0.57 0.00 -1.33 0.00 0.00 177.39 177.00 3kb4 h GLU 173 N -0.08 -0.02 -0.25 0.00 4.57 -1.83 -0.68 114.58 116.29 3kb4 h GLU 173 Ca 0.26 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.31 3kb4 h GLU 173 Cb 0.55 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 3kb4 h GLU 173 CO -0.86 -0.01 -0.40 1.96 -1.18 0.00 0.00 179.01 178.51 3kb4 h GLN 174 N -0.02 0.59 -0.21 1.92 4.20 -1.42 -1.99 115.11 118.19 3kb4 h GLN 174 Ca 0.19 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3kb4 h GLN 174 Cb 0.31 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3kb4 h GLN 174 CO -0.42 0.89 0.03 0.82 -0.67 0.00 0.00 178.83 179.48 3kb4 h ILE 175 N 0.49 1.23 -0.34 2.54 1.08 -0.31 -0.70 117.51 121.49 3kb4 h ILE 175 Ca 0.04 -0.76 -0.14 0.00 -0.39 0.00 0.00 64.86 63.61 3kb4 h ILE 175 Cb 0.91 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 3kb4 h ILE 175 CO 0.08 0.24 -0.33 -0.07 -0.69 0.00 0.00 178.15 177.37 3kb4 h LEU 176 N 0.14 0.80 -0.77 1.44 4.07 -1.14 -0.81 115.31 119.04 3kb4 h LEU 176 Ca 0.06 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 3kb4 h LEU 176 Cb 0.33 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 3kb4 h LEU 176 CO 0.00 1.07 0.45 0.44 -1.08 0.00 0.00 178.44 179.32 3kb4 h ASP 177 N 0.64 0.94 -0.55 -0.43 3.45 -1.28 0.57 116.42 119.77 3kb4 h ASP 177 Ca 0.07 -0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.37 3kb4 h ASP 177 Cb 0.87 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.38 3kb4 h ASP 177 CO 0.08 0.74 0.05 1.23 -1.57 0.00 0.00 179.24 179.78 3kb4 h GLY 178 N 1.06 1.00 0.87 2.75 0.00 -0.90 -1.15 103.07 106.69 3kb4 h GLY 178 Ca 0.27 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3kb4 h GLY 178 CO -0.05 0.64 0.06 -2.00 0.00 0.00 0.00 176.54 175.19 3kb4 h LEU 179 N 0.81 0.23 -0.41 3.11 6.46 -0.71 -0.76 115.31 124.04 3kb4 h LEU 179 Ca 0.16 -0.19 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 3kb4 h LEU 179 Cb 0.46 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.29 3kb4 h LEU 179 CO 0.02 0.35 0.17 0.74 -0.62 0.00 0.00 178.44 179.10 3kb4 h THR 180 N 0.10 0.91 -0.18 1.05 2.02 -0.76 -0.85 112.91 115.20 3kb4 h THR 180 Ca 0.05 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3kb4 h THR 180 Cb 0.20 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3kb4 h THR 180 CO -0.00 0.06 0.09 1.56 0.37 0.00 0.00 175.52 177.60 3kb4 h GLN 181 N 0.34 0.26 -0.75 6.66 4.20 -1.09 -3.06 115.11 121.68 3kb4 h GLN 181 Ca 0.18 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3kb4 h GLN 181 Cb 0.14 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 3kb4 h GLN 181 CO -0.17 0.30 0.40 0.78 -0.67 0.00 0.00 178.83 179.47 3kb4 h GLY 182 N 0.17 1.13 -6.54 3.46 0.00 -0.89 -3.40 103.07 96.99 3kb4 h GLY 182 Ca 0.06 -0.52 -0.45 0.00 0.00 0.00 0.00 47.33 46.42 3kb4 h GLY 182 CO -0.01 0.50 1.57 1.87 0.00 0.00 0.00 176.54 180.48 3kb4 n TRP 183 N -4.44 0.48 0.00 5.60 -0.00 -0.34 -3.27 117.44 115.46 3kb4 n TRP 183 Ca 0.07 -0.88 0.00 0.00 -0.00 0.00 0.00 57.50 56.69 3kb4 n TRP 183 Cb 0.10 -0.98 0.00 0.00 -0.00 0.00 0.00 31.31 30.43 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 4.58 1.61 0.17 5.87 0.00 -1.26 -4.70 105.19 111.45 3kb4 n GLY 186 Ca 0.37 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 0.44 0.00 1.61 1.57 -1.87 -3.30 116.57 115.02 3kb4 h LYS 187 Ca 0.00 -0.43 -0.18 0.00 -1.87 0.00 0.00 60.65 58.17 3kb4 h LYS 187 Cb 0.00 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3kb4 h LYS 187 CO 0.00 1.08 -0.84 -0.09 -0.57 0.00 0.00 179.45 179.03 3kb4 h ARG 188 N 0.27 0.00 -7.29 3.15 2.43 -1.89 -3.46 114.38 107.59 3kb4 h ARG 188 Ca -0.06 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.60 3kb4 h ARG 188 Cb 1.49 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 31.11 3kb4 h ARG 188 CO 0.15 0.84 0.38 0.00 -1.51 0.00 0.00 179.97 179.84 3kb4 s ALA 189 N -3.07 2.81 0.76 2.80 0.00 -1.22 -4.86 121.76 118.98 3kb4 s ALA 189 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 3kb4 s ALA 189 Cb 0.11 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.11 3kb4 s ALA 189 CO 0.80 -0.92 1.11 0.15 0.00 0.00 0.00 175.76 176.89 3kb4 s LYS 190 N -4.74 2.39 0.14 0.00 1.02 0.18 -4.96 119.74 113.77 3kb4 s LYS 190 Ca 0.59 0.50 -0.31 0.00 0.02 0.00 0.00 55.97 56.76 3kb4 s LYS 190 Cb -0.13 -1.97 -0.10 0.00 -0.52 0.00 0.00 37.83 35.11 3kb4 s LYS 190 CO 0.48 -1.37 1.79 -2.14 -0.92 0.00 0.00 175.35 173.19 3kb4 s PRO 191 N -5.29 4.14 0.00 -1.68 0.02 -1.26 -4.88 135.00 126.05 3kb4 s PRO 191 Ca 0.60 2.57 0.25 0.00 0.02 0.00 0.00 61.00 64.44 3kb4 s PRO 191 Cb -0.13 -3.49 0.54 0.00 0.02 0.00 0.00 34.50 31.44 3kb4 s PRO 191 CO 0.53 -0.81 1.44 1.28 -0.33 0.00 0.00 177.00 179.10 3kb4 n LEU 192 N 5.33 0.58 -4.75 -5.54 4.32 -1.26 -4.91 117.00 110.77 3kb4 n LEU 192 Ca 0.17 -0.04 -0.41 0.00 -0.02 0.00 0.00 56.01 55.71 3kb4 n LEU 192 Cb 0.38 -0.23 -0.03 0.00 -1.62 0.00 0.00 43.42 41.92 3kb4 n LEU 192 CO 0.65 0.14 0.92 0.12 -1.22 0.00 0.00 177.39 178.00 3kb4 s PHE 193 N -2.92 3.30 0.00 -1.77 5.36 -1.26 -3.47 117.98 117.21 3kb4 s PHE 193 Ca 0.13 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 3kb4 s PHE 193 Cb 0.18 -3.53 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 3kb4 s PHE 193 CO 0.67 -1.46 0.00 0.41 -1.46 0.00 0.00 175.22 173.38 3kb4 n GLY 194 N 1.60 0.61 3.72 13.12 0.00 -1.26 -4.76 105.19 118.23 3kb4 n GLY 194 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3kb4 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kb4 s ILE 195 N -2.14 4.86 -1.13 -0.61 1.09 -1.23 -4.78 121.20 117.27 3kb4 s ILE 195 Ca 0.00 1.77 -0.18 0.00 -1.10 0.00 0.00 60.65 61.15 3kb4 s ILE 195 Cb 0.00 -4.19 0.12 0.00 -1.06 0.00 0.00 42.46 37.33 3kb4 s ILE 195 CO 0.00 0.25 1.44 -1.61 -0.10 0.00 0.00 174.94 174.91 3kb4 s GLU 196 N 0.62 3.86 0.50 2.79 2.02 -1.26 -4.84 118.70 122.39 3kb4 s GLU 196 Ca 0.44 -1.99 0.14 0.00 0.02 0.00 0.00 54.97 53.58 3kb4 s GLU 196 Cb -0.20 -5.19 1.19 0.00 0.10 0.00 0.00 34.13 30.03 3kb4 s GLU 196 CO 0.24 -1.96 2.13 -1.49 0.02 0.00 0.00 175.26 174.20 3kb4 h TRP 197 N 8.12 0.10 0.00 1.61 4.06 -1.98 -2.40 115.95 125.47 3kb4 h TRP 197 Ca 0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.24 3kb4 h TRP 197 Cb 0.93 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.06 3kb4 h TRP 197 CO 1.23 0.06 0.00 0.27 -3.56 0.00 0.00 178.44 176.44 3kb4 n ASN 198 N -4.53 0.00 -0.15 -3.49 0.23 -1.26 -0.85 115.26 105.21 3kb4 n ASN 198 Ca -0.02 -0.22 0.09 0.00 -0.53 0.00 0.00 54.58 53.90 3kb4 n ASN 198 Cb 0.09 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 37.93 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 -0.94 1.28 0.00 -3.83 5.02 -0.90 -4.57 118.16 114.22 3kb4 n LYS 199 Ca 0.04 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.70 3kb4 n LYS 199 Cb 0.02 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.36 0.49 -0.32 -0.35 4.77 -0.03 -4.86 117.00 115.34 3kb4 n LEU 200 Ca 0.16 -0.49 0.20 0.00 -0.03 0.00 0.00 56.01 55.85 3kb4 n LEU 200 Cb 0.65 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 42.20 3kb4 n LEU 200 CO 0.00 0.12 1.21 -0.50 -1.33 0.00 0.00 177.39 176.89 3kb4 h TRP 201 N 0.00 0.75 -0.02 -1.77 -0.00 -1.80 -0.46 115.95 112.66 3kb4 h TRP 201 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 3kb4 h TRP 201 Cb 0.72 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.66 3kb4 h TRP 201 CO 0.00 0.11 -0.03 0.39 -0.00 0.00 0.00 178.44 178.92 3kb4 n GLU 202 N -4.66 1.62 -2.63 0.49 1.02 -1.26 -0.48 120.64 114.74 3kb4 n GLU 202 Ca 0.24 -0.97 -0.42 0.00 -0.02 0.00 0.00 57.16 55.99 3kb4 n GLU 202 Cb 0.77 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.05 4.51 0.16 2.62 2.01 -0.18 -4.82 115.64 117.88 3kb4 s THR 203 Ca 0.36 1.88 -0.32 0.00 0.31 0.00 0.00 61.69 63.93 3kb4 s THR 203 Cb 0.21 -4.20 -0.11 0.00 0.01 0.00 0.00 72.50 68.40 3kb4 s THR 203 CO 0.35 0.19 1.78 -2.65 -0.69 0.00 0.00 174.62 173.61 3kb4 n PRO 204 N 3.54 2.78 -0.15 4.92 -0.02 -1.26 -1.74 135.00 143.07 3kb4 n PRO 204 Ca 0.06 1.01 -0.06 0.00 -2.02 0.00 0.00 63.50 62.49 3kb4 n PRO 204 Cb 0.49 -2.88 0.01 0.00 -0.02 0.00 0.00 33.50 31.10 3kb4 n PRO 204 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kb4 h LEU 205 N 7.69 -0.93 -1.42 2.45 5.85 -1.17 -0.51 115.31 127.26 3kb4 h LEU 205 Ca -0.45 0.19 0.16 0.00 0.84 0.00 0.00 57.88 58.62 3kb4 h LEU 205 Cb 1.21 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 42.65 3kb4 h LEU 205 CO 0.95 -0.28 0.56 -0.33 -0.34 0.00 0.00 178.44 179.00 3kb4 h GLU 206 N -0.17 0.52 -0.10 1.25 5.08 -1.91 0.02 114.58 119.28 3kb4 h GLU 206 Ca 0.21 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.34 3kb4 h GLU 206 Cb 0.51 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3kb4 h GLU 206 CO -0.57 0.35 -0.76 0.93 -1.00 0.00 0.00 179.01 177.96 3kb4 h GLU 207 N 0.54 0.53 -0.67 2.33 5.08 -1.51 -2.23 114.58 118.64 3kb4 h GLU 207 Ca 0.44 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3kb4 h GLU 207 Cb 0.88 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 3kb4 h GLU 207 CO -0.18 1.06 0.11 1.25 -1.00 0.00 0.00 179.01 180.26 3kb4 h LEU 208 N 0.36 1.07 -0.18 1.33 6.46 -0.04 -1.89 115.31 122.41 3kb4 h LEU 208 Ca -0.04 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 3kb4 h LEU 208 Cb 1.35 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 3kb4 h LEU 208 CO 0.14 1.06 0.05 1.56 -0.62 0.00 0.00 178.44 180.63 3kb4 h GLN 209 N 1.04 0.29 -0.86 1.25 4.20 -1.03 -1.33 115.11 118.67 3kb4 h GLN 209 Ca 0.20 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.88 3kb4 h GLN 209 Cb 0.44 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 3kb4 h GLN 209 CO 0.01 0.41 0.55 1.15 -0.67 0.00 0.00 178.83 180.28 3kb4 h THR 210 N 0.12 1.14 0.00 -0.54 2.02 -1.25 0.59 112.91 114.97 3kb4 h THR 210 Ca 0.06 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kb4 h THR 210 Cb 0.24 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3kb4 h THR 210 CO -0.00 0.20 0.00 0.77 0.37 0.00 0.00 175.52 176.85 3kb4 h SER 211 N 1.07 0.00 -0.14 4.18 4.64 -1.17 -2.44 113.55 119.70 3kb4 h SER 211 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3kb4 h SER 211 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3kb4 h SER 211 CO -0.12 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.02 3kb4 n LEU 212 N -2.97 2.54 -3.56 5.97 4.32 -0.09 -4.93 117.00 118.27 3kb4 n LEU 212 Ca 0.02 -0.95 -0.23 0.00 -0.02 0.00 0.00 56.01 54.83 3kb4 n LEU 212 Cb 0.37 -0.08 0.08 0.00 -1.62 0.00 0.00 43.42 42.17 3kb4 n LEU 212 CO 0.28 0.48 0.23 0.59 -1.22 0.00 0.00 177.39 177.75 3kb4 n ASN 213 N 0.94 -5.82 -4.36 -1.43 5.03 0.00 -0.65 115.26 108.97 3kb4 n ASN 213 Ca 0.17 -0.55 -0.41 0.00 0.87 0.00 0.00 54.58 54.66 3kb4 n ASN 213 Cb 0.50 -5.03 -0.10 0.00 -1.02 0.00 0.00 39.78 34.13 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 4.64 -0.48 2.41 1.01 -0.11 -3.42 121.20 121.93 3kb4 s ILE 214 Ca 0.51 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 3kb4 s ILE 214 Cb -0.22 -3.66 0.12 0.00 0.01 0.00 0.00 42.46 38.70 3kb4 s ILE 214 CO 0.73 -0.34 0.37 -0.69 0.00 0.00 0.00 174.94 175.00 3kb4 s VAL 215 N 1.55 4.37 -2.00 2.92 1.01 -1.26 -4.44 120.40 122.55 3kb4 s VAL 215 Ca 0.03 -1.73 0.15 0.00 0.00 0.00 0.00 61.98 60.43 3kb4 s VAL 215 Cb -0.21 -3.86 0.43 0.00 0.00 0.00 0.00 36.38 32.75 3kb4 s VAL 215 CO 0.06 -0.78 1.32 -0.81 0.00 0.00 0.00 175.10 174.89