#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 n LEU 9 N 0.00 0.00 0.00 3.17 -0.00 -1.26 -4.93 117.00 113.98 3i21 n LEU 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i21 n LEU 9 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i21 n LEU 9 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.56 3i21 n LYS 10 N 0.00 0.00 -0.95 1.47 3.00 -1.26 -4.96 118.16 115.46 3i21 n LYS 10 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3i21 n LYS 10 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 34.87 3i21 n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i21 n ALA 11 N 0.00 6.08 -0.58 3.14 0.00 -1.26 -4.64 120.51 123.25 3i21 n ALA 11 Ca 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 53.44 51.65 3i21 n ALA 11 Cb 0.00 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.06 3i21 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i21 n GLY 12 N 2.54 2.29 0.00 0.00 0.00 -1.26 -3.43 105.19 105.33 3i21 n GLY 12 Ca 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3i21 n GLY 12 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i21 n VAL 13 N 2.11 0.00 -2.74 1.61 0.24 -1.26 -5.03 118.33 113.26 3i21 n VAL 13 Ca 0.16 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.34 61.71 3i21 n VAL 13 Cb 0.55 1.32 -0.03 0.00 -1.47 0.00 0.00 33.84 34.20 3i21 n VAL 13 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3i21 s HIS 14 N -0.05 3.21 0.00 6.34 -3.43 -1.22 -4.83 115.29 115.31 3i21 s HIS 14 Ca 0.00 1.15 -0.25 0.00 -0.80 0.00 0.00 55.06 55.16 3i21 s HIS 14 Cb 0.00 -3.44 -0.18 0.00 -1.43 0.00 0.00 32.58 27.53 3i21 s HIS 14 CO 0.00 -0.63 1.35 0.74 -2.00 0.00 0.00 174.74 174.20 3i21 h PHE 15 N 7.94 0.06 -0.57 0.38 -1.00 -1.95 -3.47 116.94 118.32 3i21 h PHE 15 Ca -0.21 -0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.39 3i21 h PHE 15 Cb 1.07 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 40.57 3i21 h PHE 15 CO 0.80 0.44 -0.17 0.41 -1.61 0.00 0.00 178.31 178.18 3i21 n GLY 16 N 0.01 0.78 0.00 -1.45 0.00 -1.26 -4.97 105.19 98.30 3i21 n GLY 16 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3i21 n GLY 16 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i21 n HIS 17 N -3.05 -0.49 -2.46 1.61 1.44 -1.26 -4.45 115.22 106.56 3i21 n HIS 17 Ca -0.09 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.61 3i21 n HIS 17 Cb 0.34 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.43 3i21 n HIS 17 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3i21 n GLN 18 N 0.00 -3.21 0.00 -1.40 6.02 -1.26 -4.78 117.38 112.74 3i21 n GLN 18 Ca 0.00 2.59 0.00 0.00 -0.01 0.00 0.00 57.00 59.58 3i21 n GLN 18 Cb 0.00 -4.51 0.00 0.00 1.02 0.00 0.00 30.24 26.75 3i21 n GLN 18 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3i21 n THR 19 N 0.87 0.00 -0.24 5.09 5.66 -1.26 -4.42 114.28 119.98 3i21 n THR 19 Ca -0.13 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.85 3i21 n THR 19 Cb 0.20 -0.18 0.01 0.00 -1.55 0.00 0.00 70.33 68.81 3i21 n THR 19 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i21 n ARG 20 N -0.04 1.10 -0.02 1.09 5.12 -1.26 -2.14 116.66 120.50 3i21 n ARG 20 Ca 0.00 -0.19 0.01 0.00 -1.93 0.00 0.00 57.85 55.74 3i21 n ARG 20 Cb 0.00 -1.08 0.02 0.00 -1.16 0.00 0.00 32.46 30.24 3i21 n ARG 20 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3i21 n TYR 21 N 1.15 0.00 0.00 -1.55 4.02 -1.26 -5.06 117.16 114.45 3i21 n TYR 21 Ca 0.04 -0.47 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 3i21 n TYR 21 Cb 0.52 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 3i21 n TYR 21 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 3i21 n TRP 22 N -0.53 0.00 -3.61 -0.72 4.27 -0.91 -4.37 117.44 111.57 3i21 n TRP 22 Ca 0.02 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.61 3i21 n TRP 22 Cb 0.35 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.25 3i21 n TRP 22 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3i21 s ASN 23 N -1.61 -0.93 0.38 -0.67 3.84 -1.25 -4.43 114.94 110.27 3i21 s ASN 23 Ca 0.00 1.35 0.18 0.00 0.21 0.00 0.00 52.86 54.60 3i21 s ASN 23 Cb 0.00 1.83 1.14 0.00 -0.55 0.00 0.00 41.25 43.66 3i21 s ASN 23 CO 0.00 -0.20 1.70 -0.65 -2.79 0.00 0.00 177.10 175.16 3i21 h PRO 24 N 7.43 0.32 -2.92 0.43 0.11 -1.92 -2.51 132.00 132.94 3i21 h PRO 24 Ca -0.22 -0.02 -0.72 0.00 0.11 0.00 0.00 66.00 65.15 3i21 h PRO 24 Cb 1.15 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.12 3i21 h PRO 24 CO 0.12 0.21 2.95 1.63 -0.21 0.00 0.00 178.00 182.71 3i21 n LYS 25 N -4.81 4.09 0.00 1.05 4.01 -1.26 -3.40 118.16 117.83 3i21 n LYS 25 Ca 0.30 -2.96 0.00 0.00 -0.51 0.00 0.00 58.31 55.14 3i21 n LYS 25 Cb 1.01 -2.76 0.00 0.00 -0.51 0.00 0.00 35.03 32.77 3i21 n LYS 25 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 3i21 n MET 26 N 2.85 0.00 -0.26 1.97 1.56 -0.94 -4.46 117.12 117.84 3i21 n MET 26 Ca 0.66 0.00 0.26 0.00 -0.27 0.00 0.00 57.70 58.34 3i21 n MET 26 Cb 0.26 0.00 0.61 0.00 2.15 0.00 0.00 33.22 36.24 3i21 n MET 26 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 3i21 h LYS 27 N 0.00 0.22 0.00 2.12 3.11 -1.66 -0.06 116.57 120.29 3i21 h LYS 27 Ca 0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3i21 h LYS 27 Cb 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 3i21 h LYS 27 CO 0.00 0.14 0.02 -2.30 -2.81 0.00 0.00 179.45 174.50 3i21 n PRO 28 N -4.42 0.00 0.00 1.90 -0.02 -1.26 -1.73 135.00 129.47 3i21 n PRO 28 Ca 0.22 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3i21 n PRO 28 Cb 0.92 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 3i21 n PRO 28 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i21 n PHE 29 N -0.94 0.00 -2.85 6.00 3.72 -0.06 -4.97 117.46 118.35 3i21 n PHE 29 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 3i21 n PHE 29 Cb 0.02 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 3i21 n PHE 29 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i21 s ILE 30 N -0.14 4.50 -0.01 4.37 1.01 -0.70 0.11 121.20 130.34 3i21 s ILE 30 Ca 0.00 -1.19 -0.21 0.00 0.00 0.00 0.00 60.65 59.26 3i21 s ILE 30 Cb 0.00 -4.81 -0.25 0.00 0.01 0.00 0.00 42.46 37.41 3i21 s ILE 30 CO 0.00 -1.57 1.06 0.15 0.00 0.00 0.00 174.94 174.57 3i21 h PHE 31 N 9.15 0.55 -1.64 3.97 3.57 -1.69 -3.46 116.94 127.38 3i21 h PHE 31 Ca 0.07 -0.31 -0.53 0.00 3.53 0.00 0.00 57.97 60.73 3i21 h PHE 31 Cb 1.03 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 3i21 h PHE 31 CO 1.15 1.14 -0.46 0.20 -2.23 0.00 0.00 178.31 178.11 3i21 s GLY 32 N -4.11 2.15 -0.08 2.40 0.00 -1.15 -4.98 107.32 101.55 3i21 s GLY 32 Ca -0.14 -1.94 0.12 0.00 0.00 0.00 0.00 44.72 42.76 3i21 s GLY 32 CO 0.81 -1.78 1.07 0.00 0.00 0.00 0.00 173.10 173.20 3i21 n ALA 33 N -1.34 2.12 -1.62 3.20 0.00 -1.26 -1.27 120.51 120.34 3i21 n ALA 33 Ca 0.00 -1.98 -0.42 0.00 0.00 0.00 0.00 53.44 51.04 3i21 n ALA 33 Cb 0.63 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3i21 n ALA 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i21 n ARG 34 N -0.95 1.48 -3.25 0.00 0.00 -1.22 -2.75 116.66 109.97 3i21 n ARG 34 Ca 0.10 0.53 -0.15 0.00 -0.00 0.00 0.00 57.85 58.32 3i21 n ARG 34 Cb 0.60 -2.04 0.07 0.00 0.00 0.00 0.00 32.46 31.10 3i21 n ARG 34 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3i21 n ASN 35 N 0.75 -2.68 -3.87 6.15 5.15 -1.26 -2.86 115.26 116.63 3i21 n ASN 35 Ca 0.09 -0.51 -0.24 0.00 -0.60 0.00 0.00 54.58 53.31 3i21 n ASN 35 Cb 0.37 -4.41 -0.07 0.00 -0.53 0.00 0.00 39.78 35.13 3i21 n ASN 35 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 3i21 n LYS 36 N -3.77 -0.94 -3.61 1.20 -0.00 -1.17 -4.89 118.16 104.97 3i21 n LYS 36 Ca -0.20 0.07 -0.12 0.00 -0.00 0.00 0.00 58.31 58.06 3i21 n LYS 36 Cb 0.63 -2.77 -0.07 0.00 -0.00 0.00 0.00 35.03 32.82 3i21 n LYS 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i21 s VAL 37 N -3.96 0.00 0.54 0.58 0.11 -1.11 -4.77 120.40 111.79 3i21 s VAL 37 Ca 0.04 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 3i21 s VAL 37 Cb -0.03 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.74 3i21 s VAL 37 CO 0.76 0.00 0.74 1.41 -3.33 0.00 0.00 175.10 174.68 3i21 n HIS 38 N 1.97 0.08 -3.80 1.54 8.25 -1.26 -3.38 115.22 118.63 3i21 n HIS 38 Ca -0.13 0.48 -0.13 0.00 -0.26 0.00 0.00 57.72 57.67 3i21 n HIS 38 Cb 0.56 -2.06 -0.14 0.00 1.12 0.00 0.00 29.99 29.47 3i21 n HIS 38 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3i21 s ILE 39 N -1.56 -0.03 0.64 1.59 -1.16 -0.40 -4.51 121.20 115.77 3i21 s ILE 39 Ca 0.69 0.10 -0.18 0.00 -0.51 0.00 0.00 60.65 60.76 3i21 s ILE 39 Cb -0.47 -0.16 -0.01 0.00 0.61 0.00 0.00 42.46 42.42 3i21 s ILE 39 CO 0.53 0.04 1.25 -0.63 -2.81 0.00 0.00 174.94 173.32 3i21 s ILE 40 N 0.63 2.28 -0.82 2.00 1.01 -1.26 -2.30 121.20 122.74 3i21 s ILE 40 Ca -0.05 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 3i21 s ILE 40 Cb -0.07 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.40 3i21 s ILE 40 CO -0.03 -0.04 1.39 0.21 0.00 0.00 0.00 174.94 176.47 3i21 s ASN 41 N -1.54 6.18 0.38 3.58 3.84 0.30 -4.57 114.94 123.12 3i21 s ASN 41 Ca 0.80 -0.71 0.20 0.00 0.21 0.00 0.00 52.86 53.35 3i21 s ASN 41 Cb -0.34 -2.56 0.68 0.00 -0.55 0.00 0.00 41.25 38.48 3i21 s ASN 41 CO 0.38 -1.80 1.73 -0.07 -2.79 0.00 0.00 177.10 174.54 3i21 h LEU 42 N 13.31 0.00 -3.71 3.21 3.38 -1.91 -2.80 115.31 126.79 3i21 h LEU 42 Ca -0.12 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.56 3i21 h LEU 42 Cb 1.04 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 3i21 h LEU 42 CO 1.32 0.34 0.24 1.21 0.09 0.00 0.00 178.44 181.64 3i21 n GLU 43 N -3.44 1.83 0.00 1.13 4.07 -1.26 -3.53 120.64 119.43 3i21 n GLU 43 Ca 0.00 -1.41 0.00 0.00 -0.06 0.00 0.00 57.16 55.69 3i21 n GLU 43 Cb 0.51 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 3i21 n GLU 43 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i21 n LYS 44 N 0.94 0.00 0.08 5.31 3.00 -1.20 -4.96 118.16 121.33 3i21 n LYS 44 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.61 3i21 n LYS 44 Cb 0.60 0.00 0.27 0.00 0.00 0.00 0.00 35.03 35.90 3i21 n LYS 44 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3i21 h THR 45 N 0.00 1.26 -0.95 3.15 2.02 -1.54 -3.22 112.91 113.63 3i21 h THR 45 Ca 0.00 -1.25 0.04 0.00 0.77 0.00 0.00 66.41 65.97 3i21 h THR 45 Cb 0.00 1.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3i21 h THR 45 CO 0.00 0.38 0.62 1.62 0.37 0.00 0.00 175.52 178.51 3i21 h VAL 46 N 0.26 1.16 0.00 3.16 3.04 -1.88 -2.24 116.25 119.74 3i21 h VAL 46 Ca 0.04 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3i21 h VAL 46 Cb 0.65 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.80 3i21 h VAL 46 CO 0.05 0.22 -0.44 -0.81 -1.01 0.00 0.00 177.57 175.57 3i21 n PRO 47 N -4.44 0.11 0.00 4.17 -0.04 -1.23 -2.74 135.00 130.83 3i21 n PRO 47 Ca 0.13 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.68 3i21 n PRO 47 Cb 0.11 -1.58 0.25 0.00 -0.04 0.00 0.00 33.50 32.24 3i21 n PRO 47 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3i21 n MET 48 N -1.75 0.05 0.00 0.54 2.81 -0.84 -1.90 117.12 116.02 3i21 n MET 48 Ca 0.05 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 3i21 n MET 48 Cb 0.38 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 3i21 n MET 48 CO 0.00 0.00 0.00 1.97 1.51 0.00 0.00 175.97 179.45 3i21 n PHE 49 N -1.44 0.00 0.18 2.03 1.16 -1.24 -4.48 117.46 113.67 3i21 n PHE 49 Ca 0.03 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.66 3i21 n PHE 49 Cb 0.12 0.00 0.30 0.00 -1.61 0.00 0.00 39.48 38.29 3i21 n PHE 49 CO 0.00 0.00 0.00 -0.97 -1.87 0.00 0.00 176.76 173.92 3i21 h ASN 50 N 0.00 0.00 -0.52 5.98 -0.73 -1.18 1.57 115.58 120.70 3i21 h ASN 50 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3i21 h ASN 50 Cb 0.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.80 3i21 h ASN 50 CO 0.00 0.41 0.00 1.21 -0.37 0.00 0.00 177.43 178.68 3i21 n GLU 51 N -3.56 3.68 0.06 6.67 2.13 -1.05 -3.96 120.64 124.61 3i21 n GLU 51 Ca -0.00 -2.83 0.00 0.00 0.66 0.00 0.00 57.16 54.98 3i21 n GLU 51 Cb 0.53 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3i21 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i21 n ALA 52 N 0.61 3.00 1.16 4.31 0.00 -0.83 -4.39 120.51 124.38 3i21 n ALA 52 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.75 3i21 n ALA 52 Cb 0.89 0.21 0.45 0.00 0.00 0.00 0.00 19.45 21.00 3i21 n ALA 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i21 n LEU 53 N -3.28 0.00 -0.00 0.00 7.94 0.53 -0.18 117.00 122.01 3i21 n LEU 53 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 3i21 n LEU 53 Cb 0.10 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.00 3i21 n LEU 53 CO 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 177.39 175.92 3i21 n ALA 54 N -0.91 2.52 0.61 1.96 0.00 -1.24 -2.88 120.51 120.57 3i21 n ALA 54 Ca 0.11 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.48 3i21 n ALA 54 Cb 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 3i21 n ALA 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i21 n GLU 55 N -1.51 0.25 -0.02 0.00 4.71 -0.65 -1.62 120.64 121.80 3i21 n GLU 55 Ca -0.00 -0.04 -0.21 0.00 -0.01 0.00 0.00 57.16 56.89 3i21 n GLU 55 Cb 0.15 -1.54 -0.13 0.00 -1.01 0.00 0.00 31.44 28.91 3i21 n GLU 55 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3i21 n LEU 56 N -1.85 2.58 0.32 -4.62 -0.00 0.75 -2.67 117.00 111.51 3i21 n LEU 56 Ca 0.02 0.20 0.19 0.00 -0.00 0.00 0.00 56.01 56.42 3i21 n LEU 56 Cb 0.42 -1.08 1.06 0.00 -0.00 0.00 0.00 43.42 43.82 3i21 n LEU 56 CO 0.42 0.80 1.14 -1.13 -0.00 0.00 0.00 177.39 178.62 3i21 h ASN 57 N -0.07 0.00 0.26 1.96 -1.24 -1.64 0.15 115.58 114.99 3i21 h ASN 57 Ca -0.44 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.56 3i21 h ASN 57 Cb 1.94 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.99 3i21 h ASN 57 CO 0.03 0.01 -0.12 0.50 -1.29 0.00 0.00 177.43 176.56 3i21 h LYS 58 N 0.00 -0.33 0.00 6.67 3.64 -1.37 -2.96 116.57 122.21 3i21 h LYS 58 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3i21 h LYS 58 Cb 0.04 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i21 h LYS 58 CO 0.00 -0.22 0.00 0.44 -2.27 0.00 0.00 179.45 177.40 3i21 n ILE 59 N -4.23 0.58 0.07 2.00 -6.64 -1.09 -0.80 119.36 109.25 3i21 n ILE 59 Ca -0.04 0.14 -0.04 0.00 -1.77 0.00 0.00 62.75 61.04 3i21 n ILE 59 Cb 0.14 -0.95 -0.08 0.00 -1.44 0.00 0.00 39.64 37.31 3i21 n ILE 59 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i21 h ALA 60 N 2.60 0.52 -0.17 -1.28 0.00 -0.74 -0.33 119.26 119.87 3i21 h ALA 60 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3i21 h ALA 60 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i21 h ALA 60 CO 0.00 1.08 0.00 0.45 0.00 0.00 0.00 179.25 180.78 3i21 n SER 61 N -3.23 0.95 -0.38 0.00 2.88 0.02 -2.85 113.62 111.01 3i21 n SER 61 Ca -0.02 -1.92 0.06 0.00 -1.33 0.00 0.00 58.87 55.65 3i21 n SER 61 Cb 0.89 -0.11 0.14 0.00 -0.75 0.00 0.00 64.21 64.37 3i21 n SER 61 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i21 n ARG 62 N -0.01 2.47 -1.56 -1.46 1.74 -1.08 -4.87 116.66 111.89 3i21 n ARG 62 Ca 0.08 -2.26 -0.12 0.00 -0.77 0.00 0.00 57.85 54.77 3i21 n ARG 62 Cb 0.16 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 3i21 n ARG 62 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3i21 n LYS 63 N -0.55 -0.89 -0.96 5.56 4.81 -1.13 -4.97 118.16 120.02 3i21 n LYS 63 Ca 0.12 0.86 -0.34 0.00 -0.87 0.00 0.00 58.31 58.08 3i21 n LYS 63 Cb 0.56 -4.92 0.10 0.00 0.02 0.00 0.00 35.03 30.79 3i21 n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i21 n GLY 64 N -1.36 -1.86 3.39 3.14 0.00 -0.15 -4.99 105.19 103.35 3i21 n GLY 64 Ca -0.13 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 3i21 n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i21 s LYS 65 N -3.32 3.51 -0.13 1.61 1.02 -1.26 -4.76 119.74 116.41 3i21 s LYS 65 Ca 0.60 -0.57 -0.02 0.00 0.02 0.00 0.00 55.97 55.99 3i21 s LYS 65 Cb -0.26 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 3i21 s LYS 65 CO 0.64 -0.05 -0.05 0.42 -0.92 0.00 0.00 175.35 175.40 3i21 s ILE 66 N 1.12 3.84 -0.43 2.17 -1.09 -1.26 -2.64 121.20 122.92 3i21 s ILE 66 Ca 0.02 -0.39 -0.18 0.00 -2.23 0.00 0.00 60.65 57.87 3i21 s ILE 66 Cb -0.15 -2.65 0.02 0.00 -1.58 0.00 0.00 42.46 38.11 3i21 s ILE 66 CO 0.00 0.53 0.48 -0.76 -1.23 0.00 0.00 174.94 173.96 3i21 s LEU 67 N 0.01 4.80 -0.79 2.97 1.43 -1.19 0.08 118.68 125.99 3i21 s LEU 67 Ca 0.00 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.26 3i21 s LEU 67 Cb -0.13 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.71 3i21 s LEU 67 CO 0.03 -0.62 1.13 -0.36 0.23 0.00 0.00 176.35 176.75 3i21 s PHE 68 N 2.27 2.68 -0.13 0.29 0.40 0.19 -0.90 117.98 122.78 3i21 s PHE 68 Ca 0.14 -0.68 -0.09 0.00 -0.60 0.00 0.00 56.93 55.70 3i21 s PHE 68 Cb -0.16 -4.41 -0.04 0.00 0.51 0.00 0.00 43.02 38.91 3i21 s PHE 68 CO 0.15 -1.74 0.17 0.08 0.70 0.00 0.00 175.22 174.58 3i21 s VAL 69 N 4.21 5.43 0.00 -0.44 1.01 0.01 -1.04 120.40 129.58 3i21 s VAL 69 Ca 0.30 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3i21 s VAL 69 Cb -0.10 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3i21 s VAL 69 CO 0.04 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3i21 n GLY 70 N 2.37 -0.20 0.76 4.51 0.00 -1.18 -3.03 105.19 108.43 3i21 n GLY 70 Ca -0.18 0.71 0.12 0.00 0.00 0.00 0.00 46.02 46.67 3i21 n GLY 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i21 n THR 71 N 0.00 0.12 -1.54 2.61 -1.04 -1.26 -4.45 114.28 108.73 3i21 n THR 71 Ca 0.00 -0.43 -0.54 0.00 -2.04 0.00 0.00 64.05 61.04 3i21 n THR 71 Cb 0.00 0.87 -0.07 0.00 -1.82 0.00 0.00 70.33 69.31 3i21 n THR 71 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i21 n LYS 72 N 0.80 1.09 -0.46 -2.82 4.76 -1.26 -4.68 118.16 115.58 3i21 n LYS 72 Ca 0.17 0.35 0.39 0.00 -2.87 0.00 0.00 58.31 56.35 3i21 n LYS 72 Cb 0.47 -2.26 0.66 0.00 -1.84 0.00 0.00 35.03 32.05 3i21 n LYS 72 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3i21 n ARG 73 N 7.06 -0.03 -0.00 1.97 1.85 -1.26 0.18 116.66 126.42 3i21 n ARG 73 Ca 0.36 1.21 -0.03 0.00 -1.00 0.00 0.00 57.85 58.39 3i21 n ARG 73 Cb 0.17 -2.39 -0.02 0.00 -1.05 0.00 0.00 32.46 29.17 3i21 n ARG 73 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i21 h ALA 74 N 1.53 -0.11 0.00 2.89 0.00 -1.99 -3.27 119.26 118.31 3i21 h ALA 74 Ca 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.68 3i21 h ALA 74 Cb 2.76 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.59 3i21 h ALA 74 CO -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 178.70 3i21 n ALA 75 N -2.75 1.94 0.18 0.00 0.00 0.98 -3.97 120.51 116.89 3i21 n ALA 75 Ca -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 3i21 n ALA 75 Cb 0.10 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 3i21 n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i21 h SER 76 N 0.00 -0.61 -0.25 0.00 0.87 0.19 -2.54 113.55 111.21 3i21 h SER 76 Ca 0.00 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.47 3i21 h SER 76 Cb 0.00 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3i21 h SER 76 CO 0.00 -0.34 -0.30 -0.08 -0.53 0.00 0.00 176.83 175.58 3i21 h GLU 77 N -0.54 0.76 -0.41 2.24 4.81 -1.80 -3.10 114.58 116.53 3i21 h GLU 77 Ca -0.04 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3i21 h GLU 77 Cb 0.44 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3i21 h GLU 77 CO 0.02 0.96 0.00 0.00 -0.73 0.00 0.00 179.01 179.26 3i21 n ALA 78 N -2.51 2.33 0.02 2.92 0.00 -1.19 -3.67 120.51 118.41 3i21 n ALA 78 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 3i21 n ALA 78 Cb 0.48 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 3i21 n ALA 78 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3i21 h VAL 79 N 0.00 0.11 0.00 0.00 3.04 -1.37 -3.42 116.25 114.60 3i21 h VAL 79 Ca 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 3i21 h VAL 79 Cb 0.21 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 3i21 h VAL 79 CO 0.00 0.03 0.00 2.29 -1.01 0.00 0.00 177.57 178.88 3i21 n LYS 80 N -4.88 0.00 0.00 4.17 2.85 -1.24 -4.13 118.16 114.93 3i21 n LYS 80 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 3i21 n LYS 80 Cb 0.09 -0.43 0.00 0.00 -0.65 0.00 0.00 35.03 34.04 3i21 n LYS 80 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3i21 n ASP 81 N 0.00 0.00 0.11 -5.58 5.75 -1.26 0.20 116.55 115.77 3i21 n ASP 81 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 3i21 n ASP 81 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 3i21 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i21 h ALA 82 N 0.00 0.62 0.39 2.12 0.00 -1.87 -3.34 119.26 117.18 3i21 h ALA 82 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3i21 h ALA 82 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i21 h ALA 82 CO 0.00 0.24 -0.19 0.00 0.00 0.00 0.00 179.25 179.31 3i21 h ALA 83 N 1.84 -0.52 -0.52 0.00 0.00 0.21 -3.39 119.26 116.88 3i21 h ALA 83 Ca -0.04 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3i21 h ALA 83 Cb 1.15 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3i21 h ALA 83 CO 0.01 -0.60 0.32 -1.17 0.00 0.00 0.00 179.25 177.82 3i21 s LEU 84 N -9.42 2.98 0.00 0.00 2.96 0.25 -3.06 118.68 112.40 3i21 s LEU 84 Ca -0.13 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3i21 s LEU 84 Cb 0.02 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.16 3i21 s LEU 84 CO 0.48 -3.46 0.00 -1.54 -1.32 0.00 0.00 176.35 170.51 3i21 n SER 85 N 16.95 0.00 -3.31 3.68 3.41 -1.26 -4.67 113.62 128.42 3i21 n SER 85 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3i21 n SER 85 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3i21 n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i21 n ASP 87 N 0.00 4.42 -1.37 0.00 4.64 -1.26 -5.03 116.55 117.95 3i21 n ASP 87 Ca 0.00 -3.44 -0.01 0.00 -1.38 0.00 0.00 54.79 49.96 3i21 n ASP 87 Cb 0.00 -0.82 -0.00 0.00 -1.04 0.00 0.00 41.12 39.26 3i21 n ASP 87 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i21 n GLN 88 N 0.96 0.56 -3.72 -0.67 -0.00 -1.26 -4.11 117.38 109.14 3i21 n GLN 88 Ca 0.29 -0.13 -0.14 0.00 -0.00 0.00 0.00 57.00 57.02 3i21 n GLN 88 Cb 0.39 0.09 -0.09 0.00 -0.00 0.00 0.00 30.24 30.63 3i21 n GLN 88 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3i21 s PHE 89 N -1.78 -0.38 0.34 2.61 0.40 0.11 -4.86 117.98 114.43 3i21 s PHE 89 Ca 0.01 0.81 0.04 0.00 -0.60 0.00 0.00 56.93 57.19 3i21 s PHE 89 Cb 0.00 0.16 -0.06 0.00 0.51 0.00 0.00 43.02 43.63 3i21 s PHE 89 CO 0.01 -0.33 0.06 -0.59 0.70 0.00 0.00 175.22 175.07 3i21 s PHE 90 N -0.50 1.98 -0.17 0.36 -0.12 0.35 0.57 117.98 120.45 3i21 s PHE 90 Ca -0.06 -0.97 -0.04 0.00 -0.05 0.00 0.00 56.93 55.80 3i21 s PHE 90 Cb -0.03 -1.31 0.08 0.00 -0.63 0.00 0.00 43.02 41.12 3i21 s PHE 90 CO 0.03 0.01 0.21 0.08 -0.05 0.00 0.00 175.22 175.50 3i21 s VAL 91 N -3.24 -0.31 -0.17 -2.49 1.01 -0.21 -3.71 120.40 111.28 3i21 s VAL 91 Ca 0.34 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.43 3i21 s VAL 91 Cb 0.08 -0.57 -0.23 0.00 0.00 0.00 0.00 36.38 35.66 3i21 s VAL 91 CO 0.15 -0.11 0.16 -0.46 0.00 0.00 0.00 175.10 174.84 3i21 n ASN 92 N 5.32 1.01 -2.84 3.32 2.04 -1.26 -3.09 115.26 119.77 3i21 n ASN 92 Ca -0.05 0.08 0.00 0.00 -0.44 0.00 0.00 54.58 54.17 3i21 n ASN 92 Cb 0.50 0.14 0.00 0.00 -2.53 0.00 0.00 39.78 37.88 3i21 n ASN 92 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 3i21 n HIS 93 N -3.05 -1.59 -1.85 -2.53 8.25 -1.26 -3.98 115.22 109.21 3i21 n HIS 93 Ca -0.33 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.74 3i21 n HIS 93 Cb 1.08 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.16 3i21 n HIS 93 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3i21 s ARG 94 N -1.24 2.63 0.48 -0.41 1.81 -1.26 -4.66 118.95 116.30 3i21 s ARG 94 Ca 0.00 1.13 -0.21 0.00 -1.72 0.00 0.00 55.73 54.93 3i21 s ARG 94 Cb 0.00 -4.41 -0.11 0.00 -0.45 0.00 0.00 34.95 29.97 3i21 s ARG 94 CO 0.00 -2.70 0.54 1.87 -0.68 0.00 0.00 175.30 174.33 3i21 n TRP 95 N 13.22 -0.55 -3.38 -0.53 -0.00 -1.26 -4.92 117.44 120.02 3i21 n TRP 95 Ca 0.27 0.54 -0.38 0.00 -0.00 0.00 0.00 57.50 57.92 3i21 n TRP 95 Cb 0.51 -1.98 -0.06 0.00 -0.00 0.00 0.00 31.31 29.78 3i21 n TRP 95 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3i21 s LEU 96 N 1.39 4.35 -0.46 5.87 1.43 -1.26 -5.04 118.68 124.96 3i21 s LEU 96 Ca 0.65 0.86 -0.29 0.00 -1.03 0.00 0.00 54.13 54.32 3i21 s LEU 96 Cb -0.54 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 43.06 3i21 s LEU 96 CO 0.57 0.12 1.13 -0.83 0.23 0.00 0.00 176.35 177.57 3i21 s GLY 97 N 0.02 1.32 0.00 -3.19 0.00 -1.26 -2.50 107.32 101.70 3i21 s GLY 97 Ca 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.54 3i21 s GLY 97 CO 0.11 2.40 0.00 0.61 0.00 0.00 0.00 173.10 176.22 3i21 n GLY 98 N 4.74 0.94 0.39 0.20 0.00 -1.26 -4.97 105.19 105.23 3i21 n GLY 98 Ca 0.12 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.34 3i21 n GLY 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3i21 h MET 99 N 3.34 0.01 0.00 1.61 4.05 -1.82 -1.89 114.93 120.24 3i21 h MET 99 Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3i21 h MET 99 Cb 0.00 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3i21 h MET 99 CO 0.00 0.01 -0.33 1.28 0.23 0.00 0.00 176.91 178.10 3i21 n LEU 100 N -4.37 1.08 0.00 3.39 4.32 -1.26 -3.91 117.00 116.25 3i21 n LEU 100 Ca 0.11 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 3i21 n LEU 100 Cb 0.64 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 3i21 n LEU 100 CO 0.37 -0.53 0.39 0.35 -1.22 0.00 0.00 177.39 176.76 3i21 n THR 101 N -3.54 0.74 -2.32 -5.08 -2.24 -1.24 -0.69 114.28 99.90 3i21 n THR 101 Ca -0.05 0.35 -0.03 0.00 -2.27 0.00 0.00 64.05 62.05 3i21 n THR 101 Cb 0.17 -1.35 0.01 0.00 -2.10 0.00 0.00 70.33 67.05 3i21 n THR 101 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i21 n ASN 102 N -1.11 -0.61 0.00 3.42 5.15 -0.72 -4.93 115.26 116.46 3i21 n ASN 102 Ca 0.00 -2.06 0.12 0.00 -0.60 0.00 0.00 54.58 52.04 3i21 n ASN 102 Cb 0.17 0.25 0.66 0.00 -0.53 0.00 0.00 39.78 40.33 3i21 n ASN 102 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 3i21 n TRP 103 N -0.38 0.00 0.27 1.20 -0.00 0.13 -0.75 117.44 117.90 3i21 n TRP 103 Ca -0.17 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.46 3i21 n TRP 103 Cb 0.83 -0.10 0.75 0.00 -0.00 0.00 0.00 31.31 32.78 3i21 n TRP 103 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3i21 h LYS 104 N 0.00 0.00 -0.01 5.87 6.56 -1.90 -0.67 116.57 126.42 3i21 h LYS 104 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3i21 h LYS 104 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 3i21 h LYS 104 CO 0.00 0.11 -0.01 2.41 -2.06 0.00 0.00 179.45 179.90 3i21 n THR 105 N -3.58 0.00 -0.04 -0.16 -1.04 0.07 -4.34 114.28 105.18 3i21 n THR 105 Ca -0.02 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.28 3i21 n THR 105 Cb 0.23 1.16 -0.13 0.00 -1.82 0.00 0.00 70.33 69.77 3i21 n THR 105 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i21 n VAL 106 N 0.40 1.68 0.46 12.58 0.31 -0.95 -4.28 118.33 128.53 3i21 n VAL 106 Ca 0.04 -0.53 0.13 0.00 -0.01 0.00 0.00 64.34 63.97 3i21 n VAL 106 Cb 0.19 -1.73 0.47 0.00 -0.91 0.00 0.00 33.84 31.86 3i21 n VAL 106 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3i21 h ARG 107 N -0.17 0.00 0.00 5.55 0.11 -1.36 -1.83 114.38 116.68 3i21 h ARG 107 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3i21 h ARG 107 Cb 1.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.96 3i21 h ARG 107 CO -0.02 0.00 0.00 -0.56 0.10 0.00 0.00 179.97 179.49 3i21 h GLN 108 N 0.00 0.00 0.00 0.08 3.07 -1.76 0.10 115.11 116.61 3i21 h GLN 108 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.50 3i21 h GLN 108 Cb 0.50 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.02 3i21 h GLN 108 CO 0.00 0.00 -1.77 0.43 0.09 0.00 0.00 178.83 177.58 3i21 n SER 109 N -2.34 0.61 -0.25 0.06 7.64 -0.69 -3.75 113.62 114.91 3i21 n SER 109 Ca -0.01 0.28 0.01 0.00 1.01 0.00 0.00 58.87 60.17 3i21 n SER 109 Cb 0.10 0.40 0.13 0.00 -1.01 0.00 0.00 64.21 63.84 3i21 n SER 109 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3i21 h ILE 110 N 0.00 0.87 -0.52 0.44 2.04 -0.84 0.10 117.51 119.60 3i21 h ILE 110 Ca -0.28 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3i21 h ILE 110 Cb 1.83 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3i21 h ILE 110 CO 0.05 0.11 0.27 0.50 0.00 0.00 0.00 178.15 179.09 3i21 h LYS 111 N 0.63 0.73 0.00 2.37 3.11 -1.60 0.50 116.57 122.31 3i21 h LYS 111 Ca 0.35 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 58.09 3i21 h LYS 111 Cb 0.35 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 3i21 h LYS 111 CO -0.26 0.58 0.00 -2.13 -2.81 0.00 0.00 179.45 174.84 3i21 n ARG 112 N -4.62 0.35 -0.07 1.90 3.00 -0.43 -1.48 116.66 115.31 3i21 n ARG 112 Ca 0.02 0.05 -0.09 0.00 -0.00 0.00 0.00 57.85 57.82 3i21 n ARG 112 Cb 0.10 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.00 3i21 n ARG 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3i21 n LEU 113 N -1.08 2.82 0.00 6.15 7.94 -0.11 -4.56 117.00 128.16 3i21 n LEU 113 Ca 0.09 -0.05 0.14 0.00 -1.11 0.00 0.00 56.01 55.08 3i21 n LEU 113 Cb 0.06 -0.45 0.73 0.00 0.53 0.00 0.00 43.42 44.29 3i21 n LEU 113 CO 0.08 0.68 1.00 0.29 -1.11 0.00 0.00 177.39 178.33 3i21 n LYS 114 N -2.94 0.40 -0.01 1.96 5.02 0.16 -1.69 118.16 121.06 3i21 n LYS 114 Ca -0.23 0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.20 3i21 n LYS 114 Cb 0.74 -1.50 0.66 0.00 -0.02 0.00 0.00 35.03 34.91 3i21 n LYS 114 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3i21 n ASP 115 N -1.29 0.79 -0.03 4.39 5.68 -0.55 -3.35 116.55 122.19 3i21 n ASP 115 Ca 0.14 -1.34 0.02 0.00 -0.50 0.00 0.00 54.79 53.10 3i21 n ASP 115 Cb 0.23 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.19 3i21 n ASP 115 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3i21 n LEU 116 N -0.35 0.37 0.10 -2.12 4.77 -0.68 -3.79 117.00 115.30 3i21 n LEU 116 Ca 0.20 -0.59 0.20 0.00 -0.03 0.00 0.00 56.01 55.79 3i21 n LEU 116 Cb 0.23 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.07 3i21 n LEU 116 CO 0.16 0.08 1.18 -0.33 -1.33 0.00 0.00 177.39 177.15 3i21 h GLU 117 N 0.13 0.00 0.00 3.23 4.39 -1.54 -0.28 114.58 120.51 3i21 h GLU 117 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i21 h GLU 117 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3i21 h GLU 117 CO 0.00 0.00 0.00 2.41 -1.16 0.00 0.00 179.01 180.26 3i21 n THR 118 N -3.84 0.00 1.62 1.13 -1.04 -1.26 -4.53 114.28 106.35 3i21 n THR 118 Ca 0.07 -0.27 0.07 0.00 -2.04 0.00 0.00 64.05 61.87 3i21 n THR 118 Cb 0.56 1.22 0.30 0.00 -1.82 0.00 0.00 70.33 70.59 3i21 n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i21 n GLN 119 N -0.29 1.31 -0.04 -2.82 6.02 -0.81 0.56 117.38 121.33 3i21 n GLN 119 Ca 0.00 -0.48 0.03 0.00 -0.01 0.00 0.00 57.00 56.54 3i21 n GLN 119 Cb 0.05 -1.24 0.04 0.00 1.02 0.00 0.00 30.24 30.12 3i21 n GLN 119 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3i21 n SER 120 N -0.22 1.87 0.00 1.08 3.41 -0.18 -4.15 113.62 115.43 3i21 n SER 120 Ca 0.10 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 3i21 n SER 120 Cb 0.15 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3i21 n SER 120 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3i21 n GLN 121 N 0.13 3.56 -4.25 4.33 0.00 -0.81 -5.00 117.38 115.34 3i21 n GLN 121 Ca 0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.69 3i21 n GLN 121 Cb 0.22 -0.61 -0.09 0.00 0.00 0.00 0.00 30.24 29.77 3i21 n GLN 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3i21 s ASP 122 N -1.10 5.49 0.00 1.69 -1.08 0.19 -4.98 116.67 116.89 3i21 s ASP 122 Ca 0.00 0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.23 3i21 s ASP 122 Cb 0.00 -1.64 0.00 0.00 -1.46 0.00 0.00 42.92 39.82 3i21 s ASP 122 CO 0.00 0.37 0.30 0.61 0.52 0.00 0.00 175.17 176.97 3i21 n GLY 123 N 2.22 0.67 0.13 2.66 0.00 -1.26 -3.61 105.19 106.00 3i21 n GLY 123 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3i21 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 h THR 124 N 0.37 1.33 -0.00 2.61 1.03 -1.91 -2.77 112.91 113.56 3i21 h THR 124 Ca 0.00 -1.20 0.00 0.00 -0.01 0.00 0.00 66.41 65.20 3i21 h THR 124 Cb 0.30 1.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 3i21 h THR 124 CO 0.00 0.35 0.00 2.22 -0.01 0.00 0.00 175.52 178.08 3i21 n PHE 125 N -4.60 0.00 0.88 0.00 -0.00 -1.24 -3.40 117.46 109.10 3i21 n PHE 125 Ca -0.06 -0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.52 3i21 n PHE 125 Cb 0.33 0.00 0.44 0.00 -0.00 0.00 0.00 39.48 40.25 3i21 n PHE 125 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3i21 n ASP 126 N -0.67 0.35 -4.56 5.98 -0.08 -1.04 -3.57 116.55 112.96 3i21 n ASP 126 Ca 0.09 0.29 -0.36 0.00 -1.51 0.00 0.00 54.79 53.30 3i21 n ASP 126 Cb 0.04 -0.30 0.08 0.00 2.34 0.00 0.00 41.12 43.29 3i21 n ASP 126 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3i21 n LYS 127 N -1.71 0.38 -2.95 -0.67 2.85 -1.22 -4.05 118.16 110.78 3i21 n LYS 127 Ca 0.06 0.18 -0.08 0.00 -1.05 0.00 0.00 58.31 57.42 3i21 n LYS 127 Cb 0.37 -2.08 0.01 0.00 -0.65 0.00 0.00 35.03 32.68 3i21 n LYS 127 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3i21 n LEU 128 N -1.26 -6.44 0.00 -5.58 4.32 -1.26 -3.50 117.00 103.27 3i21 n LEU 128 Ca 0.12 0.77 0.00 0.00 -0.02 0.00 0.00 56.01 56.88 3i21 n LEU 128 Cb 0.50 -2.81 0.00 0.00 -1.62 0.00 0.00 43.42 39.49 3i21 n LEU 128 CO 0.49 -2.21 0.00 0.35 -1.22 0.00 0.00 177.39 174.81 3i21 n THR 129 N 0.40 0.00 0.01 -5.08 -2.24 -1.26 -0.05 114.28 106.06 3i21 n THR 129 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3i21 n THR 129 Cb 0.32 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3i21 n THR 129 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i21 n LYS 130 N 0.00 -0.95 -0.22 -0.78 4.76 -1.26 -4.43 118.16 115.28 3i21 n LYS 130 Ca 0.00 -0.51 -0.01 0.00 -2.87 0.00 0.00 58.31 54.93 3i21 n LYS 130 Cb 0.00 -1.00 0.21 0.00 -1.84 0.00 0.00 35.03 32.40 3i21 n LYS 130 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3i21 h LYS 131 N 0.03 1.01 0.00 1.97 3.11 -0.72 -1.61 116.57 120.36 3i21 h LYS 131 Ca 0.00 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 3i21 h LYS 131 Cb 0.01 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 3i21 h LYS 131 CO 0.00 0.71 -1.05 0.39 -2.81 0.00 0.00 179.45 176.70 3i21 n GLU 132 N -4.39 0.06 -0.17 1.90 -0.58 -1.00 -3.02 120.64 113.45 3i21 n GLU 132 Ca 0.08 -0.01 0.01 0.00 -0.42 0.00 0.00 57.16 56.82 3i21 n GLU 132 Cb 0.07 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.51 3i21 n GLU 132 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i21 n ALA 133 N -1.54 2.77 0.05 0.62 0.00 -0.74 -2.92 120.51 118.76 3i21 n ALA 133 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3i21 n ALA 133 Cb 0.34 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3i21 n ALA 133 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i21 n LEU 134 N 0.12 0.10 0.19 0.00 4.77 -0.68 -4.55 117.00 116.95 3i21 n LEU 134 Ca 0.05 0.17 0.14 0.00 -0.03 0.00 0.00 56.01 56.35 3i21 n LEU 134 Cb 0.44 0.08 0.56 0.00 -2.33 0.00 0.00 43.42 42.17 3i21 n LEU 134 CO 0.06 -0.63 0.91 -0.03 -1.33 0.00 0.00 177.39 176.38 3i21 h MET 135 N 0.00 0.00 0.00 3.23 4.05 -1.69 -2.71 114.93 117.80 3i21 h MET 135 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3i21 h MET 135 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 3i21 h MET 135 CO 0.00 0.00 -0.25 0.54 0.23 0.00 0.00 176.91 177.43 3i21 n ARG 136 N -2.59 0.93 0.08 0.39 1.74 -1.15 -4.81 116.66 111.25 3i21 n ARG 136 Ca 0.02 -2.24 0.00 0.00 -0.77 0.00 0.00 57.85 54.85 3i21 n ARG 136 Cb 0.27 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3i21 n ARG 136 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i21 n THR 137 N -0.93 0.24 -0.46 0.55 -2.24 -1.13 -4.75 114.28 105.56 3i21 n THR 137 Ca 0.12 0.08 0.40 0.00 -2.27 0.00 0.00 64.05 62.37 3i21 n THR 137 Cb 0.69 -0.64 0.67 0.00 -2.10 0.00 0.00 70.33 68.95 3i21 n THR 137 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3i21 h ARG 138 N 0.00 0.01 -0.34 -0.78 2.43 -1.72 1.23 114.38 115.19 3i21 h ARG 138 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3i21 h ARG 138 Cb 0.00 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3i21 h ARG 138 CO 0.00 0.00 0.16 1.05 -1.51 0.00 0.00 179.97 179.68 3i21 h GLU 139 N 0.01 0.50 -0.98 0.20 4.11 -1.88 -2.07 114.58 114.46 3i21 h GLU 139 Ca 0.88 -0.08 0.26 0.00 0.07 0.00 0.00 59.36 60.50 3i21 h GLU 139 Cb 2.79 -0.09 -0.18 0.00 0.50 0.00 0.00 28.75 31.77 3i21 h GLU 139 CO -0.50 0.46 -0.02 -0.11 0.07 0.00 0.00 179.01 178.91 3i21 n LEU 140 N -4.73 -0.15 0.24 3.06 7.94 0.42 0.13 117.00 123.90 3i21 n LEU 140 Ca -0.01 1.67 -0.13 0.00 -1.11 0.00 0.00 56.01 56.43 3i21 n LEU 140 Cb 0.11 -0.59 -0.07 0.00 0.53 0.00 0.00 43.42 43.40 3i21 n LEU 140 CO 0.36 -1.68 0.52 -0.08 -1.11 0.00 0.00 177.39 175.40 3i21 h GLU 141 N 0.00 -0.73 0.00 1.96 4.81 -1.33 -0.43 114.58 118.87 3i21 h GLU 141 Ca 0.58 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.84 3i21 h GLU 141 Cb 1.15 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 3i21 h GLU 141 CO -0.94 -0.48 -0.06 -0.22 -0.73 0.00 0.00 179.01 176.58 3i21 h LYS 142 N -0.75 0.00 0.53 1.92 1.63 -0.94 0.98 116.57 119.94 3i21 h LYS 142 Ca -0.05 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 3i21 h LYS 142 Cb 0.64 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.27 3i21 h LYS 142 CO -0.01 0.06 -0.26 -0.07 -3.45 0.00 0.00 179.45 175.73 3i21 h LEU 143 N 0.00 -0.61 -0.27 5.20 3.38 0.16 -2.11 115.31 121.06 3i21 h LEU 143 Ca -0.00 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3i21 h LEU 143 Cb 0.19 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i21 h LEU 143 CO 0.01 -0.31 -0.45 -0.08 0.09 0.00 0.00 178.44 177.70 3i21 h GLU 144 N -0.91 0.78 -0.79 1.13 4.81 -0.60 0.17 114.58 119.17 3i21 h GLU 144 Ca -0.07 -0.48 0.13 0.00 -0.13 0.00 0.00 59.36 58.80 3i21 h GLU 144 Cb 0.62 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 29.91 3i21 h GLU 144 CO 0.12 1.11 -0.37 -0.91 -0.73 0.00 0.00 179.01 178.23 3i21 h ASN 145 N 0.54 -1.34 0.35 1.04 -0.26 0.95 0.82 115.58 117.67 3i21 h ASN 145 Ca 0.02 0.27 -0.02 0.00 -0.56 0.00 0.00 56.30 56.01 3i21 h ASN 145 Cb 1.06 0.68 0.00 0.00 -1.06 0.00 0.00 38.32 39.00 3i21 h ASN 145 CO 0.10 -0.30 -0.17 0.28 -1.06 0.00 0.00 177.43 176.29 3i21 h SER 146 N -0.09 -0.39 -0.74 5.81 0.02 -1.34 -3.33 113.55 113.50 3i21 h SER 146 Ca 0.28 0.01 -0.66 0.00 -0.84 0.00 0.00 61.79 60.58 3i21 h SER 146 Cb 0.57 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.13 3i21 h SER 146 CO -0.84 -0.06 2.47 0.18 -1.14 0.00 0.00 176.83 177.45 3i21 n LEU 147 N -4.46 7.95 0.00 5.07 4.32 0.58 -4.75 117.00 125.71 3i21 n LEU 147 Ca -0.06 -4.55 0.00 0.00 -0.02 0.00 0.00 56.01 51.38 3i21 n LEU 147 Cb 0.18 -1.41 0.00 0.00 -1.62 0.00 0.00 43.42 40.57 3i21 n LEU 147 CO 0.14 2.01 0.00 0.61 -1.22 0.00 0.00 177.39 178.93 3i21 n GLY 148 N 2.22 -1.83 3.55 -0.72 0.00 0.28 -4.32 105.19 104.38 3i21 n GLY 148 Ca 0.65 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 3i21 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i21 n GLY 149 N 1.75 -0.26 0.00 -0.02 0.00 -1.24 -2.63 105.19 102.78 3i21 n GLY 149 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3i21 n GLY 149 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i21 n ILE 150 N 8.70 0.00 0.04 -0.61 0.13 -1.26 0.13 119.36 126.48 3i21 n ILE 150 Ca 0.45 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.97 3i21 n ILE 150 Cb 0.43 0.00 -0.09 0.00 -0.84 0.00 0.00 39.64 39.15 3i21 n ILE 150 CO 0.00 0.00 0.00 0.07 2.80 0.00 0.00 176.55 179.42 3i21 h LYS 151 N 0.00 -0.08 -1.61 9.51 2.10 -1.69 -3.25 116.57 121.55 3i21 h LYS 151 Ca 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3i21 h LYS 151 Cb 0.00 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3i21 h LYS 151 CO 0.00 0.23 0.00 -0.25 -2.00 0.00 0.00 179.45 177.43 3i21 n ASP 152 N -4.98 4.02 -0.03 7.07 8.00 -1.26 -3.69 116.55 125.68 3i21 n ASP 152 Ca -0.08 -2.11 -0.06 0.00 0.71 0.00 0.00 54.79 53.25 3i21 n ASP 152 Cb 0.19 -0.80 -0.02 0.00 -0.02 0.00 0.00 41.12 40.47 3i21 n ASP 152 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3i21 n MET 153 N 1.11 0.12 -0.37 -1.24 1.56 -1.22 -4.98 117.12 112.10 3i21 n MET 153 Ca 0.00 0.05 0.00 0.00 -0.27 0.00 0.00 57.70 57.48 3i21 n MET 153 Cb 0.46 -0.70 0.00 0.00 2.15 0.00 0.00 33.22 35.13 3i21 n MET 153 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3i21 n GLY 154 N 2.66 0.00 0.00 -5.12 0.00 -1.24 -4.77 105.19 96.72 3i21 n GLY 154 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3i21 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i21 n GLY 155 N -0.78 5.36 2.97 -0.02 0.00 -1.26 -5.14 105.19 106.32 3i21 n GLY 155 Ca 0.00 -1.50 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 3i21 n GLY 155 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i21 s LEU 156 N 0.00 1.94 1.18 0.99 2.34 -1.26 -5.12 118.68 118.74 3i21 s LEU 156 Ca 0.00 -0.11 -0.13 0.00 0.06 0.00 0.00 54.13 53.95 3i21 s LEU 156 Cb 0.00 -0.34 0.29 0.00 -0.56 0.00 0.00 46.19 45.59 3i21 s LEU 156 CO 0.00 0.06 1.03 -2.16 -1.06 0.00 0.00 176.35 174.22 3i21 s PRO 157 N -0.04 -1.03 -0.01 1.48 0.04 -1.26 -4.96 135.00 129.22 3i21 s PRO 157 Ca 0.01 0.88 0.19 0.00 0.04 0.00 0.00 61.00 62.12 3i21 s PRO 157 Cb -0.04 -1.54 -0.25 0.00 0.04 0.00 0.00 34.50 32.72 3i21 s PRO 157 CO -0.00 -3.81 0.57 -0.25 0.04 0.00 0.00 177.00 173.55 3i21 n ASP 158 N -4.98 0.78 -3.59 6.66 8.00 -1.08 -4.92 116.55 117.40 3i21 n ASP 158 Ca 0.03 -0.41 -0.04 0.00 0.71 0.00 0.00 54.79 55.08 3i21 n ASP 158 Cb 0.54 1.48 -0.02 0.00 -0.02 0.00 0.00 41.12 43.10 3i21 n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i21 s ALA 159 N -3.04 -2.05 0.37 2.24 0.00 -1.25 -3.90 121.76 114.12 3i21 s ALA 159 Ca -0.01 1.32 0.08 0.00 0.00 0.00 0.00 51.96 53.36 3i21 s ALA 159 Cb 0.13 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 3i21 s ALA 159 CO 0.77 -0.70 -0.01 -0.51 0.00 0.00 0.00 175.76 175.31 3i21 s LEU 160 N -2.38 2.88 -0.06 0.00 1.02 -0.41 -3.15 118.68 116.58 3i21 s LEU 160 Ca 0.10 -1.18 -0.04 0.00 0.02 0.00 0.00 54.13 53.02 3i21 s LEU 160 Cb -0.00 -1.11 0.02 0.00 0.02 0.00 0.00 46.19 45.12 3i21 s LEU 160 CO -0.05 -0.32 0.14 0.12 0.02 0.00 0.00 176.35 176.27 3i21 s PHE 161 N -2.61 -0.16 0.03 0.29 5.36 -0.08 -0.66 117.98 120.15 3i21 s PHE 161 Ca 0.35 0.41 -0.24 0.00 -0.96 0.00 0.00 56.93 56.48 3i21 s PHE 161 Cb 0.04 0.01 0.06 0.00 -0.34 0.00 0.00 43.02 42.79 3i21 s PHE 161 CO 0.18 -0.10 0.56 0.54 -1.46 0.00 0.00 175.22 174.94 3i21 s VAL 162 N 0.43 0.02 0.00 3.12 0.11 0.23 -0.81 120.40 123.50 3i21 s VAL 162 Ca -0.03 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3i21 s VAL 162 Cb -0.04 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 3i21 s VAL 162 CO -0.02 -0.09 0.00 -0.38 -3.33 0.00 0.00 175.10 171.28 3i21 n ILE 163 N 0.48 0.00 -2.47 7.04 5.41 -1.17 -2.67 119.36 125.98 3i21 n ILE 163 Ca -0.18 0.20 -0.43 0.00 1.00 0.00 0.00 62.75 63.34 3i21 n ILE 163 Cb 0.60 -0.75 -0.02 0.00 -0.71 0.00 0.00 39.64 38.76 3i21 n ILE 163 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3i21 s ASP 164 N -1.55 6.84 0.41 4.38 1.01 -1.26 -2.24 116.67 124.26 3i21 s ASP 164 Ca 0.00 1.36 0.21 0.00 0.71 0.00 0.00 52.55 54.82 3i21 s ASP 164 Cb 0.00 -2.54 0.83 0.00 1.01 0.00 0.00 42.92 42.22 3i21 s ASP 164 CO 0.00 -0.91 1.80 0.00 0.21 0.00 0.00 175.17 176.27 3i21 h ALA 165 N 8.60 1.06 0.13 5.23 0.00 -1.84 -0.22 119.26 132.23 3i21 h ALA 165 Ca -0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3i21 h ALA 165 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i21 h ALA 165 CO 1.01 0.38 -0.06 0.22 0.00 0.00 0.00 179.25 180.80 3i21 h ASP 166 N 0.00 -0.15 0.82 0.00 3.58 -1.89 -3.03 116.42 115.74 3i21 h ASP 166 Ca -0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3i21 h ASP 166 Cb 0.78 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 3i21 h ASP 166 CO 0.04 0.08 -0.04 -0.74 -2.88 0.00 0.00 179.24 175.70 3i21 h HIS 167 N -0.54 0.00 -1.85 0.28 2.76 -1.97 -2.46 115.15 111.36 3i21 h HIS 167 Ca -0.02 0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.51 3i21 h HIS 167 Cb 0.13 0.00 -0.38 0.00 1.55 0.00 0.00 27.41 28.71 3i21 h HIS 167 CO 0.03 0.04 -0.25 0.39 -1.30 0.00 0.00 177.93 176.83 3i21 n GLU 168 N -3.18 3.44 -0.03 5.26 -0.58 -0.09 -4.79 120.64 120.67 3i21 n GLU 168 Ca -0.00 -4.45 -0.15 0.00 -0.42 0.00 0.00 57.16 52.14 3i21 n GLU 168 Cb 0.28 -2.27 -0.12 0.00 -0.57 0.00 0.00 31.44 28.77 3i21 n GLU 168 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 3i21 h HIS 169 N 2.89 0.20 -0.85 -0.32 2.07 -1.31 -3.20 115.15 114.63 3i21 h HIS 169 Ca 0.32 -0.12 0.19 0.00 -2.85 0.00 0.00 60.37 57.92 3i21 h HIS 169 Cb 0.61 -0.02 -0.06 0.00 2.57 0.00 0.00 27.41 30.52 3i21 h HIS 169 CO 0.93 0.96 0.57 0.82 -3.07 0.00 0.00 177.93 178.13 3i21 h ILE 170 N -0.62 0.70 0.73 6.12 1.08 -1.87 0.70 117.51 124.36 3i21 h ILE 170 Ca -0.03 -0.12 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 3i21 h ILE 170 Cb 1.02 0.32 0.01 0.00 -3.07 0.00 0.00 36.82 35.10 3i21 h ILE 170 CO 0.04 0.06 -0.35 0.00 -0.69 0.00 0.00 178.15 177.21 3i21 h ALA 171 N 1.62 -1.15 0.09 1.87 0.00 -1.94 -1.15 119.26 118.59 3i21 h ALA 171 Ca 0.43 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3i21 h ALA 171 Cb 1.14 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 3i21 h ALA 171 CO -0.14 -1.08 -0.40 0.82 0.00 0.00 0.00 179.25 178.45 3i21 h ILE 172 N -1.08 0.18 -0.94 0.00 1.08 -1.23 -0.77 117.51 114.74 3i21 h ILE 172 Ca -0.10 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.65 3i21 h ILE 172 Cb 0.76 0.18 -0.15 0.00 -3.07 0.00 0.00 36.82 34.53 3i21 h ILE 172 CO 0.17 0.00 0.36 0.11 -0.69 0.00 0.00 178.15 178.10 3i21 h LYS 173 N -0.62 0.21 -0.27 2.37 1.57 -0.94 0.97 116.57 119.86 3i21 h LYS 173 Ca 0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3i21 h LYS 173 Cb 0.66 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3i21 h LYS 173 CO -0.26 0.14 0.04 0.93 -0.57 0.00 0.00 179.45 179.73 3i21 h GLU 174 N 0.21 0.44 -0.46 3.15 5.08 -0.19 -2.75 114.58 120.06 3i21 h GLU 174 Ca 0.65 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.77 3i21 h GLU 174 Cb 1.42 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 3i21 h GLU 174 CO -0.67 0.56 -0.18 0.00 -1.00 0.00 0.00 179.01 177.71 3i21 h ALA 175 N 0.86 0.80 0.81 3.43 0.00 0.14 -3.11 119.26 122.19 3i21 h ALA 175 Ca 0.08 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3i21 h ALA 175 Cb 0.33 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3i21 h ALA 175 CO 0.01 0.65 -0.39 -0.91 0.00 0.00 0.00 179.25 178.61 3i21 h ASN 176 N 0.80 -0.92 0.00 0.00 -0.26 0.72 -1.03 115.58 114.90 3i21 h ASN 176 Ca 0.11 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 3i21 h ASN 176 Cb 0.73 0.24 0.00 0.00 -1.06 0.00 0.00 38.32 38.22 3i21 h ASN 176 CO 0.06 -0.65 0.00 -0.46 -1.06 0.00 0.00 177.43 175.31 3i21 n ASN 177 N -4.93 0.03 -0.01 5.81 6.94 -1.04 -3.43 115.26 118.63 3i21 n ASN 177 Ca -0.13 -0.79 -0.01 0.00 -0.02 0.00 0.00 54.58 53.62 3i21 n ASN 177 Cb 0.43 -0.02 -0.00 0.00 -2.36 0.00 0.00 39.78 37.82 3i21 n ASN 177 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3i21 n LEU 178 N -0.43 0.35 0.00 -4.53 7.94 -0.69 -5.06 117.00 114.57 3i21 n LEU 178 Ca 0.00 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 3i21 n LEU 178 Cb 0.01 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.50 3i21 n LEU 178 CO 0.00 -0.47 0.00 0.61 -1.11 0.00 0.00 177.39 176.42 3i21 n GLY 179 N 1.87 0.09 3.76 -3.96 0.00 -0.48 -5.10 105.19 101.37 3i21 n GLY 179 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3i21 n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i21 s ILE 180 N 0.00 4.89 0.88 -0.61 -1.09 -1.14 -5.05 121.20 119.08 3i21 s ILE 180 Ca 0.00 1.28 -0.12 0.00 -2.23 0.00 0.00 60.65 59.58 3i21 s ILE 180 Cb 0.00 -3.95 0.09 0.00 -1.58 0.00 0.00 42.46 37.02 3i21 s ILE 180 CO 0.00 0.41 0.96 -2.65 -1.23 0.00 0.00 174.94 172.43 3i21 n PRO 181 N 2.72 -0.17 -4.04 2.79 -0.02 -1.25 -4.43 135.00 130.60 3i21 n PRO 181 Ca -0.06 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.33 3i21 n PRO 181 Cb 0.51 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 3i21 n PRO 181 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i21 s VAL 182 N -2.37 0.30 -0.02 -1.45 -7.23 -1.26 -1.29 120.40 107.08 3i21 s VAL 182 Ca 0.67 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 59.66 3i21 s VAL 182 Cb -0.25 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.03 3i21 s VAL 182 CO 0.58 -0.57 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.43 3i21 s PHE 183 N -1.99 0.27 -0.10 2.82 0.40 0.17 -3.50 117.98 116.05 3i21 s PHE 183 Ca -0.08 -0.01 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 3i21 s PHE 183 Cb -0.06 -0.31 0.12 0.00 0.51 0.00 0.00 43.02 43.27 3i21 s PHE 183 CO -0.02 -0.09 0.96 0.00 0.70 0.00 0.00 175.22 176.77 3i21 s ALA 184 N 0.67 -1.89 -0.04 5.36 0.00 -1.24 0.75 121.76 125.37 3i21 s ALA 184 Ca -0.07 1.36 -0.23 0.00 0.00 0.00 0.00 51.96 53.02 3i21 s ALA 184 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 3i21 s ALA 184 CO -0.01 -0.48 0.68 0.96 0.00 0.00 0.00 175.76 176.91 3i21 s ILE 185 N -1.99 4.98 -0.79 0.00 -4.36 -0.95 -2.11 121.20 115.98 3i21 s ILE 185 Ca 0.01 1.41 -0.18 0.00 -0.26 0.00 0.00 60.65 61.63 3i21 s ILE 185 Cb -0.01 -4.02 0.13 0.00 1.25 0.00 0.00 42.46 39.82 3i21 s ILE 185 CO -0.03 0.31 0.92 0.68 0.24 0.00 0.00 174.94 177.06 3i21 s VAL 186 N 0.46 4.89 -1.15 8.37 -7.23 -1.19 -3.88 120.40 120.67 3i21 s VAL 186 Ca 0.36 -1.47 -0.21 0.00 -1.81 0.00 0.00 61.98 58.85 3i21 s VAL 186 Cb -0.18 -4.63 -0.06 0.00 0.56 0.00 0.00 36.38 32.07 3i21 s VAL 186 CO 0.18 -1.31 1.91 -0.67 -0.31 0.00 0.00 175.10 174.91 3i21 n ASP 187 N 6.10 3.43 0.00 4.85 4.64 -1.25 -4.12 116.55 130.20 3i21 n ASP 187 Ca 0.10 -2.75 0.00 0.00 -1.38 0.00 0.00 54.79 50.76 3i21 n ASP 187 Cb 0.46 -1.61 0.00 0.00 -1.04 0.00 0.00 41.12 38.93 3i21 n ASP 187 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3i21 n THR 188 N 6.96 0.00 0.07 5.18 -2.24 -1.26 -3.70 114.28 119.29 3i21 n THR 188 Ca 0.47 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.30 3i21 n THR 188 Cb 0.45 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.94 3i21 n THR 188 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i21 n ASN 189 N 0.14 0.25 -4.94 3.42 6.94 -1.26 -3.79 115.26 116.02 3i21 n ASN 189 Ca 0.00 0.61 -0.24 0.00 -0.02 0.00 0.00 54.58 54.94 3i21 n ASN 189 Cb 0.00 -0.65 0.04 0.00 -2.36 0.00 0.00 39.78 36.81 3i21 n ASN 189 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3i21 s SER 190 N -3.46 5.34 -0.48 0.53 0.15 -1.24 -4.47 113.70 110.07 3i21 s SER 190 Ca -0.01 0.34 -0.17 0.00 0.70 0.00 0.00 55.95 56.81 3i21 s SER 190 Cb 0.03 -1.26 0.06 0.00 -1.71 0.00 0.00 66.02 63.13 3i21 s SER 190 CO 0.09 -1.15 0.50 -1.81 1.20 0.00 0.00 173.24 172.07 3i21 s ASP 191 N -4.38 6.19 0.00 5.45 1.11 -1.26 -4.80 116.67 118.98 3i21 s ASP 191 Ca 0.55 -1.03 0.00 0.00 0.18 0.00 0.00 52.55 52.25 3i21 s ASP 191 Cb -0.10 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.65 3i21 s ASP 191 CO 0.42 -0.74 0.88 -0.81 1.18 0.00 0.00 175.17 176.09 3i21 n PRO 192 N 5.69 0.80 0.03 8.23 -0.04 -1.26 -4.24 135.00 144.22 3i21 n PRO 192 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 3i21 n PRO 192 Cb 0.45 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.80 3i21 n PRO 192 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3i21 h ASP 193 N 0.53 -0.10 0.41 3.54 5.19 -1.92 -3.37 116.42 120.70 3i21 h ASP 193 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3i21 h ASP 193 Cb 0.80 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 3i21 h ASP 193 CO 0.00 0.06 -0.11 1.23 -3.12 0.00 0.00 179.24 177.31 3i21 h GLY 194 N -0.40 0.00 -2.00 2.75 0.00 -2.01 -3.44 103.07 97.97 3i21 h GLY 194 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.87 3i21 h GLY 194 CO 0.02 0.00 0.35 0.14 0.00 0.00 0.00 176.54 177.05 3i21 s VAL 195 N -4.13 4.33 0.00 4.60 1.01 -1.26 -4.92 120.40 120.03 3i21 s VAL 195 Ca -0.03 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.34 3i21 s VAL 195 Cb 0.13 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3i21 s VAL 195 CO 0.57 -0.38 0.80 -0.90 0.00 0.00 0.00 175.10 175.19 3i21 n ASP 196 N -0.87 1.56 -2.91 3.32 5.68 -1.26 -4.76 116.55 117.32 3i21 n ASP 196 Ca 0.07 -1.62 -0.13 0.00 -0.50 0.00 0.00 54.79 52.62 3i21 n ASP 196 Cb 0.54 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.55 3i21 n ASP 196 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3i21 n PHE 197 N -0.31 -1.96 -1.84 2.11 3.72 -1.23 -4.99 117.46 112.96 3i21 n PHE 197 Ca 0.00 -2.61 -0.33 0.00 -0.05 0.00 0.00 57.45 54.46 3i21 n PHE 197 Cb 0.18 0.87 0.04 0.00 -0.94 0.00 0.00 39.48 39.63 3i21 n PHE 197 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3i21 s VAL 198 N -0.42 3.27 -0.30 -4.37 -7.23 -1.26 -3.70 120.40 106.40 3i21 s VAL 198 Ca 0.31 0.61 0.02 0.00 -1.81 0.00 0.00 61.98 61.11 3i21 s VAL 198 Cb 0.27 -3.14 0.16 0.00 0.56 0.00 0.00 36.38 34.22 3i21 s VAL 198 CO -0.12 -0.34 0.40 0.27 -0.31 0.00 0.00 175.10 175.00 3i21 s ILE 199 N -2.27 -0.59 -0.62 -0.62 -4.36 -0.90 -4.69 121.20 107.14 3i21 s ILE 199 Ca 0.68 -0.35 -0.30 0.00 -0.26 0.00 0.00 60.65 60.42 3i21 s ILE 199 Cb -0.21 -0.96 -0.13 0.00 1.25 0.00 0.00 42.46 42.41 3i21 s ILE 199 CO 0.39 -0.32 2.46 -2.65 0.24 0.00 0.00 174.94 175.06 3i21 n PRO 200 N 5.28 0.71 0.00 0.37 -0.02 -1.26 -3.19 135.00 136.90 3i21 n PRO 200 Ca 0.01 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3i21 n PRO 200 Cb 0.49 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3i21 n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i21 n GLY 201 N 6.29 5.41 0.00 -1.23 0.00 -1.26 -4.90 105.19 109.51 3i21 n GLY 201 Ca 0.47 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3i21 n GLY 201 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i21 n ASN 202 N 0.00 0.00 0.00 1.61 4.13 -1.26 -4.27 115.26 115.47 3i21 n ASN 202 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3i21 n ASN 202 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3i21 n ASN 202 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3i21 n ASP 203 N 0.00 0.00 -1.14 6.41 3.85 -1.26 -3.88 116.55 120.53 3i21 n ASP 203 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3i21 n ASP 203 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3i21 n ASP 203 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3i21 n ASP 204 N -0.06 0.61 -2.37 -1.12 2.03 -1.26 -4.85 116.55 109.54 3i21 n ASP 204 Ca 0.00 -0.87 -0.02 0.00 0.52 0.00 0.00 54.79 54.41 3i21 n ASP 204 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 3i21 n ASP 204 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i21 n ALA 205 N -3.00 -2.80 0.06 -1.67 0.00 -1.26 -4.13 120.51 107.71 3i21 n ALA 205 Ca 0.00 1.28 0.21 0.00 0.00 0.00 0.00 53.44 54.93 3i21 n ALA 205 Cb 0.00 -2.76 0.74 0.00 0.00 0.00 0.00 19.45 17.42 3i21 n ALA 205 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i21 h ILE 206 N 3.88 0.42 0.00 0.00 1.08 -1.97 1.00 117.51 121.92 3i21 h ILE 206 Ca -0.24 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3i21 h ILE 206 Cb 0.54 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3i21 h ILE 206 CO 0.00 0.00 0.00 -1.14 -0.69 0.00 0.00 178.15 176.32 3i21 n ARG 207 N -3.82 0.53 0.00 2.37 0.63 -1.26 -1.82 116.66 113.29 3i21 n ARG 207 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3i21 n ARG 207 Cb 0.66 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.29 3i21 n ARG 207 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i21 n ALA 208 N -0.78 1.85 -0.12 5.13 0.00 0.27 -4.43 120.51 122.44 3i21 n ALA 208 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 3i21 n ALA 208 Cb 0.03 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 3i21 n ALA 208 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i21 h VAL 209 N 0.00 1.28 -0.00 0.00 -1.51 -1.34 -1.76 116.25 112.92 3i21 h VAL 209 Ca 0.00 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.05 3i21 h VAL 209 Cb 0.17 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3i21 h VAL 209 CO 0.00 0.47 -0.15 0.41 -1.23 0.00 0.00 177.57 177.07 3i21 n THR 210 N -4.21 0.00 0.12 7.19 -1.04 -0.75 -1.68 114.28 113.92 3i21 n THR 210 Ca -0.02 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.84 3i21 n THR 210 Cb 0.47 -0.17 -0.08 0.00 -1.82 0.00 0.00 70.33 68.73 3i21 n THR 210 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3i21 h LEU 211 N 0.26 -0.30 0.00 -4.42 5.85 -1.48 0.11 115.31 115.32 3i21 h LEU 211 Ca 0.00 -0.23 -0.22 0.00 0.84 0.00 0.00 57.88 58.27 3i21 h LEU 211 Cb 0.42 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3i21 h LEU 211 CO 0.00 0.14 -1.28 0.22 -0.34 0.00 0.00 178.44 177.18 3i21 h TYR 212 N -0.84 0.00 0.00 1.25 3.20 -1.43 0.21 116.97 119.37 3i21 h TYR 212 Ca -0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3i21 h TYR 212 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3i21 h TYR 212 CO 0.05 0.88 0.00 1.25 -1.64 0.00 0.00 178.16 178.70 3i21 h LEU 213 N 0.00 0.00 0.00 2.82 5.85 -1.45 1.61 115.31 124.14 3i21 h LEU 213 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3i21 h LEU 213 Cb 1.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.82 3i21 h LEU 213 CO 0.09 0.00 -1.11 0.61 -0.34 0.00 0.00 178.44 177.69 3i21 n GLY 214 N -0.34 -1.06 0.10 3.75 0.00 0.03 -2.73 105.19 104.94 3i21 n GLY 214 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.51 3i21 n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 h ALA 215 N 2.76 0.64 0.00 4.61 0.00 0.28 -3.23 119.26 124.32 3i21 h ALA 215 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3i21 h ALA 215 Cb 0.62 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3i21 h ALA 215 CO 0.00 0.79 -0.45 0.28 0.00 0.00 0.00 179.25 179.87 3i21 h VAL 216 N 0.00 0.00 0.00 0.00 2.07 0.20 -3.39 116.25 115.13 3i21 h VAL 216 Ca -0.12 -1.00 -0.48 0.00 0.82 0.00 0.00 66.70 65.92 3i21 h VAL 216 Cb 1.50 1.77 0.02 0.00 -1.52 0.00 0.00 31.29 33.06 3i21 h VAL 216 CO 0.05 0.00 2.97 0.00 0.02 0.00 0.00 177.57 180.60 3i21 n ALA 217 N -2.14 5.82 0.00 1.67 0.00 -1.11 -2.56 120.51 122.20 3i21 n ALA 217 Ca 0.02 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.91 3i21 n ALA 217 Cb 0.54 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.88 3i21 n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n ALA 218 N 3.89 0.00 -0.01 0.00 0.00 -1.26 -4.96 120.51 118.17 3i21 n ALA 218 Ca 0.57 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.81 3i21 n ALA 218 Cb 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.51 3i21 n ALA 218 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3i21 h THR 219 N 0.00 1.20 0.43 0.00 1.35 -1.71 -2.26 112.91 111.92 3i21 h THR 219 Ca 0.00 -2.39 -0.01 0.00 -0.55 0.00 0.00 66.41 63.46 3i21 h THR 219 Cb 0.00 2.82 -0.02 0.00 -1.73 0.00 0.00 68.15 69.23 3i21 h THR 219 CO 0.00 0.64 -0.36 0.58 -0.25 0.00 0.00 175.52 176.13 3i21 h VAL 220 N -0.49 0.26 0.09 6.82 2.07 -1.91 -0.80 116.25 122.29 3i21 h VAL 220 Ca -0.24 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3i21 h VAL 220 Cb 1.59 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3i21 h VAL 220 CO 0.03 0.00 -0.04 0.08 0.02 0.00 0.00 177.57 177.66 3i21 h ARG 221 N -0.80 -0.11 -1.41 1.57 0.11 -1.84 -3.33 114.38 108.56 3i21 h ARG 221 Ca -0.04 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3i21 h ARG 221 Cb 0.69 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.80 3i21 h ARG 221 CO -0.02 -0.08 0.00 0.39 0.10 0.00 0.00 179.97 180.36 3i21 n GLU 222 N -4.52 0.97 -0.08 0.08 -0.58 -0.85 -3.06 120.64 112.61 3i21 n GLU 222 Ca -0.01 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.62 3i21 n GLU 222 Cb 0.05 -1.01 -0.07 0.00 -0.57 0.00 0.00 31.44 29.83 3i21 n GLU 222 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i21 n GLY 223 N 0.91 -0.22 0.23 0.62 0.00 -0.31 -4.44 105.19 101.98 3i21 n GLY 223 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.03 3i21 n GLY 223 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i21 h ARG 224 N 0.00 0.00 0.00 1.61 0.11 -1.70 -3.39 114.38 111.01 3i21 h ARG 224 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 3i21 h ARG 224 Cb 1.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.62 3i21 h ARG 224 CO -0.05 0.16 0.00 0.43 0.10 0.00 0.00 179.97 180.61