#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k21 h TYR 15 N 0.00 0.76 -0.40 1.96 3.20 -2.05 -0.18 116.97 120.26 3k21 h TYR 15 Ca 0.00 -0.31 -0.15 0.00 3.14 0.00 0.00 58.73 61.41 3k21 h TYR 15 Cb 0.00 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3k21 h TYR 15 CO 0.00 1.09 -0.32 0.74 -1.64 0.00 0.00 178.16 178.03 3k21 h PHE 16 N 0.22 1.09 -0.46 -3.82 0.04 -2.06 -0.05 116.94 111.91 3k21 h PHE 16 Ca -0.02 -0.31 -0.13 0.00 2.80 0.00 0.00 57.97 60.32 3k21 h PHE 16 Cb 1.11 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 3k21 h PHE 16 CO 0.10 1.13 -0.21 0.37 -0.60 0.00 0.00 178.31 179.10 3k21 h GLN 17 N 0.75 0.95 -0.58 1.51 5.75 -2.01 -3.00 115.11 118.48 3k21 h GLN 17 Ca 0.07 -0.41 0.06 0.00 -0.15 0.00 0.00 58.65 58.22 3k21 h GLN 17 Cb 0.91 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.37 3k21 h GLN 17 CO 0.08 1.08 0.29 0.78 -2.65 0.00 0.00 178.83 178.41 3k21 h GLY 18 N 0.79 0.83 0.30 2.39 0.00 -0.40 -1.61 103.07 105.38 3k21 h GLY 18 Ca 0.10 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.28 3k21 h GLY 18 CO 0.06 0.10 -0.25 -2.22 0.00 0.00 0.00 176.54 174.24 3k21 h ILE 19 N 0.55 0.41 -0.51 2.60 2.04 -0.89 -0.23 117.51 121.48 3k21 h ILE 19 Ca 0.27 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.17 3k21 h ILE 19 Cb 0.20 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3k21 h ILE 19 CO -0.19 0.00 0.26 -0.74 0.00 0.00 0.00 178.15 177.48 3k21 h HIS 20 N -0.33 0.47 0.28 1.37 2.76 -1.33 -1.12 115.15 117.26 3k21 h HIS 20 Ca 0.09 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3k21 h HIS 20 Cb 0.47 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 3k21 h HIS 20 CO -0.34 0.23 -0.17 0.28 -1.30 0.00 0.00 177.93 176.63 3k21 h VAL 21 N 0.51 0.63 -0.56 5.26 2.07 -1.02 -1.43 116.25 121.72 3k21 h VAL 21 Ca 0.22 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3k21 h VAL 21 Cb 0.12 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3k21 h VAL 21 CO -0.15 0.00 0.32 0.25 0.02 0.00 0.00 177.57 178.00 3k21 h LEU 22 N -0.44 0.49 -0.70 2.57 5.85 -0.82 0.00 115.31 122.27 3k21 h LEU 22 Ca -0.03 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3k21 h LEU 22 Cb 0.37 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3k21 h LEU 22 CO 0.03 0.34 0.10 -0.33 -0.34 0.00 0.00 178.44 178.23 3k21 h GLU 23 N 0.62 1.10 -0.73 1.25 4.39 -1.08 -1.00 114.58 119.13 3k21 h GLU 23 Ca 0.23 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 3k21 h GLU 23 Cb 0.08 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3k21 h GLU 23 CO -0.13 1.01 0.30 -0.91 -1.16 0.00 0.00 179.01 178.13 3k21 h ASN 24 N 1.03 0.98 -0.61 1.42 2.35 -0.84 -1.46 115.58 118.45 3k21 h ASN 24 Ca 0.20 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3k21 h ASN 24 Cb 0.45 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3k21 h ASN 24 CO 0.01 0.87 0.40 -0.26 -1.65 0.00 0.00 177.43 176.80 3k21 h PHE 25 N 1.05 0.75 -0.62 1.19 0.04 -0.50 -0.84 116.94 118.02 3k21 h PHE 25 Ca 0.25 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.98 3k21 h PHE 25 Cb 0.18 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 3k21 h PHE 25 CO 0.02 0.46 0.19 0.87 -0.60 0.00 0.00 178.31 179.25 3k21 h LYS 26 N 0.81 0.97 -0.61 1.51 1.57 -0.97 -1.97 116.57 117.89 3k21 h LYS 26 Ca 0.23 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3k21 h LYS 26 Cb -0.07 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 3k21 h LYS 26 CO -0.06 0.86 0.35 -0.91 -0.57 0.00 0.00 179.45 179.13 3k21 h ASN 27 N 0.90 0.74 -0.46 0.86 4.21 -0.83 -1.01 115.58 119.99 3k21 h ASN 27 Ca 0.20 -0.07 0.07 0.00 1.21 0.00 0.00 56.30 57.71 3k21 h ASN 27 Cb 0.30 -0.19 -0.06 0.00 -1.12 0.00 0.00 38.32 37.25 3k21 h ASN 27 CO -0.01 0.60 0.10 0.22 -1.29 0.00 0.00 177.43 177.06 3k21 h TYR 28 N 0.83 0.17 -0.40 1.19 3.20 -0.75 -0.34 116.97 120.86 3k21 h TYR 28 Ca 0.22 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 3k21 h TYR 28 Cb 0.00 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3k21 h TYR 28 CO -0.02 0.01 -0.10 0.78 -1.64 0.00 0.00 178.16 177.20 3k21 h GLY 29 N 0.24 0.84 1.40 1.82 0.00 -1.08 -2.77 103.07 103.52 3k21 h GLY 29 Ca 0.23 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 3k21 h GLY 29 CO -0.29 0.64 -0.20 -2.00 0.00 0.00 0.00 176.54 174.69 3k21 h LEU 30 N 0.58 0.70 -0.87 3.11 5.85 -0.87 -1.60 115.31 122.20 3k21 h LEU 30 Ca 0.10 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3k21 h LEU 30 Cb 0.63 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3k21 h LEU 30 CO 0.04 0.89 0.39 -0.07 -0.34 0.00 0.00 178.44 179.35 3k21 h LEU 31 N 0.61 1.09 -0.28 2.25 3.38 -1.01 0.68 115.31 122.04 3k21 h LEU 31 Ca 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3k21 h LEU 31 Cb 0.67 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3k21 h LEU 31 CO 0.05 0.93 0.15 -0.07 0.09 0.00 0.00 178.44 179.59 3k21 h LEU 32 N 1.19 0.35 -0.83 1.67 3.38 -1.27 -2.28 115.31 117.52 3k21 h LEU 32 Ca 0.28 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3k21 h LEU 32 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3k21 h LEU 32 CO -0.03 0.34 0.06 0.11 0.09 0.00 0.00 178.44 179.01 3k21 h LYS 33 N 0.33 0.94 -0.15 1.13 1.57 -0.86 -1.02 116.57 118.52 3k21 h LYS 33 Ca 0.10 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3k21 h LYS 33 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3k21 h LYS 33 CO -0.02 0.89 0.09 0.35 -0.57 0.00 0.00 179.45 180.20 3k21 h PHE 34 N 0.88 0.17 -0.58 -1.35 3.57 -0.69 -0.17 116.94 118.77 3k21 h PHE 34 Ca 0.17 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3k21 h PHE 34 Cb 0.43 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3k21 h PHE 34 CO 0.03 0.10 0.11 1.96 -2.23 0.00 0.00 178.31 178.28 3k21 h GLN 35 N 0.19 0.95 -0.67 1.11 4.20 -1.27 -0.82 115.11 118.79 3k21 h GLN 35 Ca 0.06 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 3k21 h GLN 35 Cb -0.01 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 3k21 h GLN 35 CO -0.02 0.90 0.19 -0.22 -0.67 0.00 0.00 178.83 179.00 3k21 h LYS 36 N 0.85 1.06 -0.47 1.46 3.64 -0.98 -1.59 116.57 120.54 3k21 h LYS 36 Ca 0.18 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 3k21 h LYS 36 Cb 0.40 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3k21 h LYS 36 CO 0.01 0.93 -0.08 1.25 -2.27 0.00 0.00 179.45 179.29 3k21 h LEU 37 N 0.99 0.89 -0.66 5.20 5.85 -0.81 -0.98 115.31 125.79 3k21 h LEU 37 Ca 0.21 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.69 3k21 h LEU 37 Cb 0.33 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 3k21 h LEU 37 CO -0.00 1.02 0.27 0.00 -0.34 0.00 0.00 178.44 179.39 3k21 h ALA 38 N 0.89 0.87 -0.55 1.25 0.00 -0.91 -0.11 119.26 120.70 3k21 h ALA 38 Ca 0.12 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3k21 h ALA 38 Cb 0.62 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3k21 h ALA 38 CO 0.04 -0.16 -0.00 0.52 0.00 0.00 0.00 179.25 179.65 3k21 h MET 39 N 0.46 0.95 -0.64 0.00 2.86 -0.85 -1.28 114.93 116.42 3k21 h MET 39 Ca 0.33 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3k21 h MET 39 Cb 0.42 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3k21 h MET 39 CO -0.31 0.94 0.16 1.15 1.06 0.00 0.00 176.91 179.90 3k21 h THR 40 N 0.87 1.25 -0.70 2.22 2.02 -0.58 -0.69 112.91 117.30 3k21 h THR 40 Ca 0.16 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.42 3k21 h THR 40 Cb 0.52 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3k21 h THR 40 CO 0.03 0.35 0.46 0.40 0.37 0.00 0.00 175.52 177.13 3k21 h ILE 41 N 0.94 1.18 -0.41 3.11 2.04 -0.77 -0.34 117.51 123.25 3k21 h ILE 41 Ca 0.20 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3k21 h ILE 41 Cb 0.35 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3k21 h ILE 41 CO 0.00 0.17 0.23 0.40 0.00 0.00 0.00 178.15 178.95 3k21 h ILE 42 N 0.94 1.01 -0.51 -0.67 2.04 -0.81 0.14 117.51 119.66 3k21 h ILE 42 Ca 0.26 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 3k21 h ILE 42 Cb -0.11 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3k21 h ILE 42 CO -0.06 0.08 0.15 0.00 0.00 0.00 0.00 178.15 178.33 3k21 h ALA 43 N 1.20 1.31 0.13 1.87 0.00 -0.60 -1.26 119.26 121.91 3k21 h ALA 43 Ca 0.17 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3k21 h ALA 43 Cb 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3k21 h ALA 43 CO -0.10 0.50 -1.25 1.96 0.00 0.00 0.00 179.25 180.36 3k21 h GLN 44 N 0.74 0.31 0.00 0.00 1.08 -0.63 -3.41 115.11 113.20 3k21 h GLN 44 Ca 0.17 -0.51 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3k21 h GLN 44 Cb 0.23 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3k21 h GLN 44 CO -0.01 1.24 -0.31 1.04 -0.95 0.00 0.00 178.83 179.84 3k21 n GLN 45 N -3.56 4.97 0.05 1.46 6.02 0.46 -4.73 117.38 122.03 3k21 n GLN 45 Ca -0.09 -0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.83 3k21 n GLN 45 Cb 1.02 -0.76 0.11 0.00 1.02 0.00 0.00 30.24 31.64 3k21 n GLN 45 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3k21 h SER 46 N 0.00 0.43 -3.22 1.08 4.64 -1.39 -3.47 113.55 111.63 3k21 h SER 46 Ca 0.00 -0.22 -0.32 0.00 -0.47 0.00 0.00 61.79 60.78 3k21 h SER 46 Cb 0.12 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3k21 h SER 46 CO 0.00 0.88 -0.40 0.59 -0.87 0.00 0.00 176.83 177.03 3k21 n ASN 47 N -3.95 -4.71 -4.73 4.97 3.02 -1.26 -4.95 115.26 103.65 3k21 n ASN 47 Ca -0.02 0.14 -0.39 0.00 -0.03 0.00 0.00 54.58 54.27 3k21 n ASN 47 Cb 0.58 -3.99 -0.05 0.00 -0.61 0.00 0.00 39.78 35.71 3k21 n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3k21 s ASP 48 N -2.07 6.96 0.15 6.41 2.15 -1.26 -4.96 116.67 124.05 3k21 s ASP 48 Ca 0.00 1.15 -0.17 0.00 0.43 0.00 0.00 52.55 53.96 3k21 s ASP 48 Cb 0.00 -2.39 0.06 0.00 -0.30 0.00 0.00 42.92 40.29 3k21 s ASP 48 CO 0.00 -0.04 1.72 0.22 -0.17 0.00 0.00 175.17 176.90 3k21 h TYR 49 N 6.42 0.08 -0.65 -5.34 3.20 -1.98 0.12 116.97 118.81 3k21 h TYR 49 Ca -0.42 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 3k21 h TYR 49 Cb 1.20 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 3k21 h TYR 49 CO 0.65 -0.00 0.37 -0.44 -1.64 0.00 0.00 178.16 177.10 3k21 h ASP 50 N 0.16 0.80 -0.62 -2.11 3.32 -1.99 0.33 116.42 116.30 3k21 h ASP 50 Ca 0.16 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3k21 h ASP 50 Cb 0.19 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3k21 h ASP 50 CO -0.23 0.65 0.24 0.58 -1.72 0.00 0.00 179.24 178.76 3k21 h VAL 51 N 0.89 1.23 -0.60 -1.35 2.07 -1.81 -2.25 116.25 114.44 3k21 h VAL 51 Ca 0.23 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3k21 h VAL 51 Cb 0.01 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3k21 h VAL 51 CO -0.04 0.29 0.27 -0.33 0.02 0.00 0.00 177.57 177.77 3k21 h GLU 52 N 0.88 0.86 -0.45 1.57 4.39 -0.33 -1.32 114.58 120.18 3k21 h GLU 52 Ca 0.21 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 3k21 h GLU 52 Cb 0.21 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3k21 h GLU 52 CO -0.02 0.68 -0.07 0.87 -1.16 0.00 0.00 179.01 179.32 3k21 h LYS 53 N 0.85 0.78 -0.82 2.33 1.79 -0.69 -1.30 116.57 119.51 3k21 h LYS 53 Ca 0.21 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 3k21 h LYS 53 Cb 0.13 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 3k21 h LYS 53 CO -0.02 0.84 0.40 1.25 -1.08 0.00 0.00 179.45 180.84 3k21 h LEU 54 N 0.71 1.06 -1.21 2.94 5.85 -0.78 -1.84 115.31 122.05 3k21 h LEU 54 Ca 0.13 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3k21 h LEU 54 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3k21 h LEU 54 CO 0.03 0.89 0.17 0.11 -0.34 0.00 0.00 178.44 179.30 3k21 h LYS 55 N 1.16 0.72 -0.76 1.25 1.57 -0.93 -1.56 116.57 118.02 3k21 h LYS 55 Ca 0.28 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3k21 h LYS 55 Cb 0.10 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3k21 h LYS 55 CO -0.04 0.62 0.33 1.03 -0.57 0.00 0.00 179.45 180.82 3k21 h SER 56 N 0.71 1.02 -0.62 0.86 0.87 -0.59 -1.67 113.55 114.13 3k21 h SER 56 Ca 0.17 -0.15 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3k21 h SER 56 Cb 0.19 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 61.83 3k21 h SER 56 CO -0.01 0.89 0.32 0.74 -0.53 0.00 0.00 176.83 178.24 3k21 h THR 57 N 1.08 0.92 -0.74 2.23 2.02 -0.79 -2.28 112.91 115.36 3k21 h THR 57 Ca 0.26 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 3k21 h THR 57 Cb 0.17 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3k21 h THR 57 CO -0.03 0.11 0.23 0.15 0.37 0.00 0.00 175.52 176.35 3k21 h PHE 58 N 0.59 1.19 -0.74 3.16 3.57 -0.95 -1.12 116.94 122.63 3k21 h PHE 58 Ca 0.29 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3k21 h PHE 58 Cb 0.22 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 3k21 h PHE 58 CO -0.10 0.94 0.43 -0.07 -2.23 0.00 0.00 178.31 177.27 3k21 h LEU 59 N 1.10 0.63 -0.40 0.59 3.38 -0.81 0.08 115.31 119.89 3k21 h LEU 59 Ca 0.24 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3k21 h LEU 59 Cb 0.31 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3k21 h LEU 59 CO -0.01 0.40 0.20 0.58 0.09 0.00 0.00 178.44 179.70 3k21 h VAL 60 N 0.77 1.17 -0.43 1.22 2.07 -0.93 -3.13 116.25 116.99 3k21 h VAL 60 Ca 0.34 -0.47 -0.12 0.00 0.82 0.00 0.00 66.70 67.27 3k21 h VAL 60 Cb 0.23 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3k21 h VAL 60 CO -0.20 0.18 -0.22 -0.07 0.02 0.00 0.00 177.57 177.29 3k21 h LEU 61 N 0.50 0.87 -6.10 2.57 3.38 -0.62 -3.35 115.31 112.57 3k21 h LEU 61 Ca 0.14 -0.32 -0.72 0.00 0.09 0.00 0.00 57.88 57.07 3k21 h LEU 61 Cb 0.11 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3k21 h LEU 61 CO -0.02 1.06 2.95 -0.67 0.09 0.00 0.00 178.44 181.85 3k21 n ASP 62 N -4.11 4.08 -0.34 -0.43 2.03 -0.04 -4.81 116.55 112.93 3k21 n ASP 62 Ca 0.00 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.43 3k21 n ASP 62 Cb 0.44 -1.63 0.14 0.00 -0.72 0.00 0.00 41.12 39.35 3k21 n ASP 62 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3k21 h GLU 63 N 5.98 1.10 -0.27 -0.67 5.08 -1.76 -2.32 114.58 121.71 3k21 h GLU 63 Ca 0.54 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 3k21 h GLU 63 Cb 0.64 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3k21 h GLU 63 CO 1.84 0.73 0.00 -0.25 -1.00 0.00 0.00 179.01 180.33 3k21 n ASP 64 N -4.52 2.30 -2.64 1.42 8.00 -1.26 -4.95 116.55 114.90 3k21 n ASP 64 Ca 0.13 -1.84 -0.18 0.00 0.71 0.00 0.00 54.79 53.61 3k21 n ASP 64 Cb 0.13 -0.18 0.04 0.00 -0.02 0.00 0.00 41.12 41.09 3k21 n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k21 n GLY 65 N 1.25 -0.25 0.13 0.44 0.00 -0.87 -4.92 105.19 100.95 3k21 n GLY 65 Ca 0.17 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3k21 n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k21 h LYS 66 N -1.53 0.00 0.00 1.61 1.57 -1.92 -3.48 116.57 112.82 3k21 h LYS 66 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3k21 h LYS 66 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3k21 h LYS 66 CO 0.45 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 179.83 3k21 n GLY 67 N 1.22 0.88 3.27 3.86 0.00 -1.26 -5.02 105.19 108.14 3k21 n GLY 67 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3k21 n GLY 67 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k21 s TYR 68 N -2.92 -0.08 0.02 1.61 -0.85 -1.26 -1.97 117.35 111.91 3k21 s TYR 68 Ca 0.00 -0.21 0.06 0.00 -0.52 0.00 0.00 57.07 56.39 3k21 s TYR 68 Cb 0.00 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.45 3k21 s TYR 68 CO 0.00 -0.60 -0.17 0.96 -1.52 0.00 0.00 175.55 174.21 3k21 s ILE 69 N -3.47 1.38 0.69 -3.49 -4.36 0.31 -4.89 121.20 107.37 3k21 s ILE 69 Ca 0.01 -0.97 -0.11 0.00 -0.26 0.00 0.00 60.65 59.33 3k21 s ILE 69 Cb 0.02 -1.19 0.01 0.00 1.25 0.00 0.00 42.46 42.54 3k21 s ILE 69 CO -0.09 0.21 1.06 0.42 0.24 0.00 0.00 174.94 176.77 3k21 s THR 70 N -0.67 4.05 0.29 8.37 -4.23 -1.26 -0.55 115.64 121.64 3k21 s THR 70 Ca 0.05 0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 61.22 3k21 s THR 70 Cb -0.08 -3.43 0.28 0.00 1.34 0.00 0.00 72.50 70.61 3k21 s THR 70 CO 0.01 -0.87 1.90 0.11 -0.54 0.00 0.00 174.62 175.23 3k21 h LYS 71 N -0.70 1.06 -0.60 3.99 1.57 -1.96 -1.26 116.57 118.67 3k21 h LYS 71 Ca -0.44 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 3k21 h LYS 71 Cb 1.21 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3k21 h LYS 71 CO 0.57 0.70 -0.01 1.49 -0.57 0.00 0.00 179.45 181.63 3k21 h GLU 72 N 1.09 1.06 -0.74 3.15 4.57 -1.97 -1.02 114.58 120.72 3k21 h GLU 72 Ca 0.41 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3k21 h GLU 72 Cb 0.18 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 3k21 h GLU 72 CO -0.15 1.04 0.49 1.96 -1.18 0.00 0.00 179.01 181.17 3k21 h GLN 73 N 0.97 0.98 -0.14 1.92 4.20 -1.81 0.23 115.11 121.46 3k21 h GLN 73 Ca 0.17 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3k21 h GLN 73 Cb 0.57 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3k21 h GLN 73 CO 0.03 0.65 0.03 1.25 -0.67 0.00 0.00 178.83 180.12 3k21 h LEU 74 N 1.01 0.22 0.18 1.46 5.85 -0.95 -0.37 115.31 122.71 3k21 h LEU 74 Ca 0.27 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3k21 h LEU 74 Cb -0.12 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3k21 h LEU 74 CO -0.06 0.41 -0.15 0.11 -0.34 0.00 0.00 178.44 178.41 3k21 h LYS 75 N 0.02 -0.34 -0.88 1.25 1.57 -1.02 -1.69 116.57 115.47 3k21 h LYS 75 Ca 0.04 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3k21 h LYS 75 Cb 0.28 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 3k21 h LYS 75 CO 0.00 -0.22 0.57 0.87 -0.57 0.00 0.00 179.45 180.09 3k21 h LYS 76 N -0.35 1.05 -0.71 3.15 1.57 -0.95 -0.82 116.57 119.50 3k21 h LYS 76 Ca -0.01 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3k21 h LYS 76 Cb 0.32 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3k21 h LYS 76 CO -0.02 0.69 0.19 0.78 -0.57 0.00 0.00 179.45 180.53 3k21 h GLY 77 N 1.08 1.21 1.39 3.86 0.00 -0.89 -0.14 103.07 109.59 3k21 h GLY 77 Ca 0.36 -0.75 -0.16 0.00 0.00 0.00 0.00 47.33 46.78 3k21 h GLY 77 CO -0.13 0.70 -0.53 1.41 0.00 0.00 0.00 176.54 177.98 3k21 h LEU 78 N 1.07 0.71 -1.17 3.11 3.38 -1.01 -2.70 115.31 118.70 3k21 h LEU 78 Ca 0.23 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3k21 h LEU 78 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3k21 h LEU 78 CO -0.00 1.10 0.20 -0.33 0.09 0.00 0.00 178.44 179.51 3k21 h GLU 79 N 0.50 0.78 -0.05 1.13 5.08 -0.92 -2.06 114.58 119.04 3k21 h GLU 79 Ca 0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3k21 h GLU 79 Cb 1.09 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 3k21 h GLU 79 CO 0.11 0.65 -0.04 0.87 -1.00 0.00 0.00 179.01 179.60 3k21 h LYS 80 N 0.77 0.07 0.00 2.33 1.79 -0.72 -1.06 116.57 119.75 3k21 h LYS 80 Ca 0.18 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3k21 h LYS 80 Cb 0.17 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3k21 h LYS 80 CO -0.02 0.12 0.00 -0.25 -1.08 0.00 0.00 179.45 178.22 3k21 n ASP 81 N -4.45 0.15 0.00 0.86 8.00 -0.79 -4.90 116.55 115.43 3k21 n ASP 81 Ca -0.02 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.01 3k21 n ASP 81 Cb 0.15 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 3k21 n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k21 n GLY 82 N 0.20 0.91 3.85 0.44 0.00 -0.40 -5.09 105.19 105.10 3k21 n GLY 82 Ca 0.04 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3k21 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k21 s LEU 83 N 0.00 4.01 -0.37 0.99 1.43 -1.14 -5.03 118.68 118.57 3k21 s LEU 83 Ca 0.00 1.35 -0.14 0.00 -1.03 0.00 0.00 54.13 54.31 3k21 s LEU 83 Cb 0.00 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 42.05 3k21 s LEU 83 CO 0.00 -0.26 0.26 -0.54 0.23 0.00 0.00 176.35 176.04 3k21 s LYS 84 N -3.12 3.19 0.42 1.70 -0.14 -1.26 -4.51 119.74 116.02 3k21 s LYS 84 Ca 0.55 -0.86 -0.20 0.00 -1.36 0.00 0.00 55.97 54.11 3k21 s LYS 84 Cb -0.10 -3.87 -0.10 0.00 -1.68 0.00 0.00 37.83 32.08 3k21 s LYS 84 CO 0.18 -0.61 0.92 -0.51 -0.76 0.00 0.00 175.35 174.58 3k21 s LEU 85 N 1.68 3.92 0.59 3.17 1.43 -1.26 -5.02 118.68 123.19 3k21 s LEU 85 Ca 0.05 1.62 -0.19 0.00 -1.03 0.00 0.00 54.13 54.58 3k21 s LEU 85 Cb -0.18 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 3k21 s LEU 85 CO 0.10 -0.36 1.20 -2.16 0.23 0.00 0.00 176.35 175.35 3k21 s PRO 86 N -3.26 3.01 0.34 1.29 0.04 -1.26 -4.89 135.00 130.27 3k21 s PRO 86 Ca 0.61 1.81 0.11 0.00 0.04 0.00 0.00 61.00 63.56 3k21 s PRO 86 Cb -0.09 -1.94 0.61 0.00 0.04 0.00 0.00 34.50 33.12 3k21 s PRO 86 CO 0.16 -1.17 1.77 -0.92 0.04 0.00 0.00 177.00 176.88 3k21 h TYR 87 N 0.92 0.08 -0.48 0.56 5.03 -2.07 -1.27 116.97 119.75 3k21 h TYR 87 Ca -0.50 -0.02 -0.25 0.00 2.58 0.00 0.00 58.73 60.54 3k21 h TYR 87 Cb 1.29 -0.02 -0.15 0.00 1.55 0.00 0.00 36.73 39.41 3k21 h TYR 87 CO 0.47 0.46 0.32 0.27 -1.32 0.00 0.00 178.16 178.36 3k21 n ASN 88 N -4.05 3.47 -0.02 -2.11 6.94 -1.26 -4.49 115.26 113.74 3k21 n ASN 88 Ca -0.02 -2.78 0.14 0.00 -0.02 0.00 0.00 54.58 51.90 3k21 n ASN 88 Cb 0.44 -0.68 0.57 0.00 -2.36 0.00 0.00 39.78 37.75 3k21 n ASN 88 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 3k21 h PHE 89 N 0.51 0.27 -0.98 -2.53 3.57 -1.58 -1.01 116.94 115.19 3k21 h PHE 89 Ca 0.31 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.84 3k21 h PHE 89 Cb 1.86 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 40.46 3k21 h PHE 89 CO 0.77 0.13 0.65 -0.44 -2.23 0.00 0.00 178.31 177.18 3k21 h ASP 90 N 0.25 1.08 -0.62 0.41 3.32 -1.85 0.33 116.42 119.35 3k21 h ASP 90 Ca 0.24 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3k21 h ASP 90 Cb 0.61 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3k21 h ASP 90 CO -0.05 0.75 0.23 0.25 -1.72 0.00 0.00 179.24 178.70 3k21 h LEU 91 N 1.26 0.87 -0.73 1.55 7.12 -1.56 -1.83 115.31 121.99 3k21 h LEU 91 Ca 0.39 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.21 3k21 h LEU 91 Cb -0.02 -0.23 -0.04 0.00 -0.53 0.00 0.00 40.66 39.84 3k21 h LEU 91 CO -0.11 0.82 0.47 0.25 -0.13 0.00 0.00 178.44 179.74 3k21 h LEU 92 N 0.87 0.85 -1.10 2.25 5.85 -1.14 -1.59 115.31 121.30 3k21 h LEU 92 Ca 0.20 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3k21 h LEU 92 Cb 0.24 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3k21 h LEU 92 CO -0.01 0.63 0.25 -0.07 -0.34 0.00 0.00 178.44 178.90 3k21 h LEU 93 N 0.99 0.81 -1.20 2.25 4.07 -0.76 0.24 115.31 121.71 3k21 h LEU 93 Ca 0.27 -0.10 -0.04 0.00 0.08 0.00 0.00 57.88 58.08 3k21 h LEU 93 Cb -0.09 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.42 3k21 h LEU 93 CO -0.06 0.72 0.12 0.44 -1.08 0.00 0.00 178.44 178.58 3k21 h ASP 94 N 0.88 0.62 -0.19 -0.43 3.32 -0.76 0.43 116.42 120.28 3k21 h ASP 94 Ca 0.21 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 3k21 h ASP 94 Cb 0.16 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3k21 h ASP 94 CO -0.02 0.61 -0.44 1.56 -1.72 0.00 0.00 179.24 179.24 3k21 h GLN 95 N 0.66 0.75 -0.43 3.56 4.20 -0.34 -3.00 115.11 120.50 3k21 h GLN 95 Ca 0.15 -0.41 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 3k21 h GLN 95 Cb 0.24 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3k21 h GLN 95 CO -0.00 1.03 -0.05 0.82 -0.67 0.00 0.00 178.83 179.95 3k21 h ILE 96 N 0.60 1.24 0.00 2.54 2.04 -0.55 -3.29 117.51 120.10 3k21 h ILE 96 Ca 0.04 -1.05 -0.67 0.00 1.00 0.00 0.00 64.86 64.19 3k21 h ILE 96 Cb 0.99 0.98 0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3k21 h ILE 96 CO 0.09 0.36 2.61 -0.67 0.00 0.00 0.00 178.15 180.55 3k21 n ASP 97 N -4.20 3.11 0.26 1.72 2.03 0.10 -4.74 116.55 114.83 3k21 n ASP 97 Ca 0.02 -2.72 0.15 0.00 0.52 0.00 0.00 54.79 52.76 3k21 n ASP 97 Cb 0.32 -1.30 0.54 0.00 -0.72 0.00 0.00 41.12 39.96 3k21 n ASP 97 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3k21 h SER 98 N 7.17 0.00 0.01 1.67 4.64 -1.76 -1.14 113.55 124.15 3k21 h SER 98 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3k21 h SER 98 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3k21 h SER 98 CO 1.92 0.04 -0.04 -0.90 -0.87 0.00 0.00 176.83 176.99 3k21 n ASP 99 N -3.13 1.59 -0.96 4.97 5.68 -1.26 -4.97 116.55 118.46 3k21 n ASP 99 Ca 0.01 -1.47 -0.13 0.00 -0.50 0.00 0.00 54.79 52.70 3k21 n ASP 99 Cb 0.37 0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.32 3k21 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k21 n GLY 100 N 1.21 1.33 0.23 6.12 0.00 -0.43 -4.91 105.19 108.74 3k21 n GLY 100 Ca 0.18 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3k21 n GLY 100 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k21 h SER 101 N 0.00 0.00 0.00 1.61 4.64 -1.94 -3.46 113.55 114.40 3k21 h SER 101 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3k21 h SER 101 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3k21 h SER 101 CO 0.38 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 3k21 n GLY 102 N 0.33 2.84 3.35 -0.77 0.00 -1.26 -5.04 105.19 104.65 3k21 n GLY 102 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 3k21 n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k21 s LYS 103 N -1.00 1.35 -0.34 1.61 1.02 -1.26 -4.50 119.74 116.63 3k21 s LYS 103 Ca 0.00 -1.58 -0.08 0.00 0.02 0.00 0.00 55.97 54.32 3k21 s LYS 103 Cb 0.00 -1.19 0.02 0.00 -0.52 0.00 0.00 37.83 36.14 3k21 s LYS 103 CO 0.00 0.21 0.14 0.42 -0.92 0.00 0.00 175.35 175.20 3k21 s ILE 104 N -2.83 4.21 0.69 2.17 1.01 0.29 -4.85 121.20 121.88 3k21 s ILE 104 Ca 0.22 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 3k21 s ILE 104 Cb -0.02 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.21 3k21 s ILE 104 CO 0.07 -0.10 1.01 1.51 0.00 0.00 0.00 174.94 177.43 3k21 s ASP 105 N 1.51 4.98 0.22 3.58 1.47 -1.26 -0.53 116.67 126.63 3k21 s ASP 105 Ca 0.01 0.56 -0.11 0.00 1.18 0.00 0.00 52.55 54.20 3k21 s ASP 105 Cb -0.18 -1.27 0.31 0.00 -0.34 0.00 0.00 42.92 41.43 3k21 s ASP 105 CO 0.04 -1.50 1.64 0.22 0.68 0.00 0.00 175.17 176.25 3k21 h TYR 106 N -0.55 -0.17 -0.36 2.11 3.20 -1.79 -0.19 116.97 119.23 3k21 h TYR 106 Ca -0.45 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.50 3k21 h TYR 106 Cb 1.30 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.72 3k21 h TYR 106 CO 0.37 -0.23 0.18 1.79 -1.64 0.00 0.00 178.16 178.63 3k21 h THR 107 N 0.06 0.99 -0.69 1.81 1.35 -1.93 -1.48 112.91 113.02 3k21 h THR 107 Ca 0.34 -0.13 -0.07 0.00 -0.55 0.00 0.00 66.41 66.00 3k21 h THR 107 Cb 0.55 0.58 -0.03 0.00 -1.73 0.00 0.00 68.15 67.53 3k21 h THR 107 CO -0.62 0.07 0.17 -0.33 -0.25 0.00 0.00 175.52 174.56 3k21 h GLU 108 N 0.37 1.11 -0.34 4.72 5.08 -1.69 -0.39 114.58 123.44 3k21 h GLU 108 Ca 0.15 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3k21 h GLU 108 Cb 0.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3k21 h GLU 108 CO -0.10 0.98 0.18 0.35 -1.00 0.00 0.00 179.01 179.42 3k21 h PHE 109 N 1.04 0.47 -0.17 4.33 3.57 -0.80 -1.59 116.94 123.79 3k21 h PHE 109 Ca 0.22 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.71 3k21 h PHE 109 Cb 0.37 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3k21 h PHE 109 CO 0.03 0.37 0.09 0.82 -2.23 0.00 0.00 178.31 177.39 3k21 h ILE 110 N 0.42 1.01 0.00 1.41 1.08 -1.18 0.10 117.51 120.35 3k21 h ILE 110 Ca 0.12 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.51 3k21 h ILE 110 Cb 0.06 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3k21 h ILE 110 CO -0.02 0.04 -0.05 0.00 -0.69 0.00 0.00 178.15 177.42 3k21 h ALA 111 N 1.08 1.33 0.00 1.87 0.00 -0.81 -1.98 119.26 120.75 3k21 h ALA 111 Ca 0.07 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 3k21 h ALA 111 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3k21 h ALA 111 CO -0.04 0.07 -2.29 0.00 0.00 0.00 0.00 179.25 176.99 3k21 n ALA 112 N -2.27 1.70 0.11 0.00 0.00 -0.62 -4.61 120.51 114.82 3k21 n ALA 112 Ca -0.02 -1.18 0.11 0.00 0.00 0.00 0.00 53.44 52.34 3k21 n ALA 112 Cb 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 19.45 19.37 3k21 n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k21 h ALA 113 N 1.11 0.54 -2.28 0.00 0.00 -0.62 -3.42 119.26 114.58 3k21 h ALA 113 Ca -0.46 -0.03 -0.71 0.00 0.00 0.00 0.00 54.91 53.71 3k21 h ALA 113 Cb 2.03 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 19.63 3k21 h ALA 113 CO 0.02 0.04 -0.19 -1.17 0.00 0.00 0.00 179.25 177.95 3k21 s LEU 114 N -5.44 5.16 0.05 0.00 2.96 -0.76 -5.03 118.68 115.62 3k21 s LEU 114 Ca -0.00 -0.97 -0.31 0.00 -0.22 0.00 0.00 54.13 52.63 3k21 s LEU 114 Cb 0.09 -2.32 -0.06 0.00 0.50 0.00 0.00 46.19 44.40 3k21 s LEU 114 CO 0.78 -0.68 1.38 -0.62 -1.32 0.00 0.00 176.35 175.89 3k21 s ASP 115 N 2.31 6.86 0.50 3.68 -1.08 -1.26 -4.85 116.67 122.82 3k21 s ASP 115 Ca 0.10 2.18 0.35 0.00 -0.52 0.00 0.00 52.55 54.66 3k21 s ASP 115 Cb -0.20 -2.57 1.49 0.00 -1.46 0.00 0.00 42.92 40.18 3k21 s ASP 115 CO 0.11 -0.68 1.70 0.03 0.52 0.00 0.00 175.17 176.85 3k21 h ARG 116 N 7.41 0.08 -0.62 4.34 2.47 -1.93 0.75 114.38 126.88 3k21 h ARG 116 Ca -0.40 -0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.43 3k21 h ARG 116 Cb 1.19 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 3k21 h ARG 116 CO 0.88 0.06 0.42 -0.22 0.56 0.00 0.00 179.97 181.67 3k21 h LYS 117 N 0.09 0.38 0.00 0.04 1.63 -1.92 -1.20 116.57 115.58 3k21 h LYS 117 Ca 0.72 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.50 3k21 h LYS 117 Cb 2.57 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 34.11 3k21 h LYS 117 CO -0.16 0.25 0.00 1.04 -3.45 0.00 0.00 179.45 177.13 3k21 n GLN 118 N -4.47 0.49 -2.58 1.90 6.02 0.26 -4.71 117.38 114.30 3k21 n GLN 118 Ca 0.11 0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.71 3k21 n GLN 118 Cb 0.41 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 3k21 n GLN 118 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3k21 s LEU 119 N -2.45 3.30 1.03 1.08 1.43 -0.46 -5.00 118.68 117.61 3k21 s LEU 119 Ca 0.29 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3k21 s LEU 119 Cb 0.18 -2.55 0.21 0.00 0.03 0.00 0.00 46.19 44.06 3k21 s LEU 119 CO 0.39 -1.77 1.08 -0.94 0.23 0.00 0.00 176.35 175.34 3k21 s SER 120 N 3.88 2.33 0.34 2.29 1.04 -1.26 -4.76 113.70 117.55 3k21 s SER 120 Ca 0.35 1.24 0.01 0.00 0.48 0.00 0.00 55.95 58.04 3k21 s SER 120 Cb -0.08 -1.92 0.59 0.00 0.10 0.00 0.00 66.02 64.71 3k21 s SER 120 CO 0.12 -3.32 1.98 0.07 0.98 0.00 0.00 173.24 173.06 3k21 h LYS 121 N -2.02 0.85 -0.28 4.02 2.10 -1.99 -0.90 116.57 118.34 3k21 h LYS 121 Ca -0.56 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.04 3k21 h LYS 121 Cb 1.33 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 3k21 h LYS 121 CO 0.56 0.59 0.15 -0.22 -2.00 0.00 0.00 179.45 178.54 3k21 h LYS 122 N 0.86 0.31 -0.52 0.07 3.64 -1.99 0.03 116.57 118.97 3k21 h LYS 122 Ca 0.23 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3k21 h LYS 122 Cb -0.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3k21 h LYS 122 CO -0.04 0.20 0.14 -0.07 -2.27 0.00 0.00 179.45 177.41 3k21 h LEU 123 N 0.32 0.79 -0.39 5.20 4.07 -1.73 -1.59 115.31 121.97 3k21 h LEU 123 Ca 0.11 -0.23 0.05 0.00 0.08 0.00 0.00 57.88 57.90 3k21 h LEU 123 Cb 0.02 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.50 3k21 h LEU 123 CO -0.07 0.81 0.10 0.40 -1.08 0.00 0.00 178.44 178.61 3k21 h ILE 124 N 0.73 0.84 -0.45 1.22 1.08 -1.02 -2.68 117.51 117.22 3k21 h ILE 124 Ca 0.17 -0.08 -0.04 0.00 -0.39 0.00 0.00 64.86 64.51 3k21 h ILE 124 Cb 0.32 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 3k21 h ILE 124 CO 0.00 0.04 0.12 0.22 -0.69 0.00 0.00 178.15 177.84 3k21 h TYR 125 N 0.24 0.69 -0.71 1.37 3.20 -0.72 -0.68 116.97 120.35 3k21 h TYR 125 Ca 0.18 -0.05 0.14 0.00 3.14 0.00 0.00 58.73 62.15 3k21 h TYR 125 Cb 0.20 -0.21 -0.14 0.00 1.54 0.00 0.00 36.73 38.12 3k21 h TYR 125 CO -0.17 0.58 -0.18 0.00 -1.64 0.00 0.00 178.16 176.75 3k21 h ALA 127 N 1.71 0.10 -0.59 0.00 0.00 -1.38 -3.34 119.26 115.75 3k21 h ALA 127 Ca 0.34 -0.59 0.12 0.00 0.00 0.00 0.00 54.91 54.78 3k21 h ALA 127 Cb 0.52 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 3k21 h ALA 127 CO -0.74 0.42 0.07 0.35 0.00 0.00 0.00 179.25 179.35 3k21 h PHE 128 N 0.01 0.10 0.00 0.00 3.57 -0.60 -1.87 116.94 118.15 3k21 h PHE 128 Ca -0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3k21 h PHE 128 Cb 1.37 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.16 3k21 h PHE 128 CO 0.14 -0.09 0.00 0.07 -2.23 0.00 0.00 178.31 176.20 3k21 h ARG 129 N 0.19 0.00 -0.01 1.11 0.11 -1.26 -0.35 114.38 114.17 3k21 h ARG 129 Ca 0.31 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.18 3k21 h ARG 129 Cb 0.48 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.57 3k21 h ARG 129 CO -0.44 0.00 -0.81 0.28 0.10 0.00 0.00 179.97 179.10 3k21 h VAL 130 N 0.00 1.35 -0.16 0.08 2.07 -1.46 -3.32 116.25 114.80 3k21 h VAL 130 Ca 0.00 -2.14 -0.12 0.00 0.82 0.00 0.00 66.70 65.26 3k21 h VAL 130 Cb 0.43 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3k21 h VAL 130 CO 0.00 0.65 -0.42 -0.26 0.02 0.00 0.00 177.57 177.55 3k21 h PHE 131 N 0.15 0.46 -0.74 1.57 0.04 -1.28 -3.30 116.94 113.85 3k21 h PHE 131 Ca -0.10 -0.13 -0.71 0.00 2.80 0.00 0.00 57.97 59.83 3k21 h PHE 131 Cb 1.49 -0.10 -0.09 0.00 2.20 0.00 0.00 35.95 39.45 3k21 h PHE 131 CO 0.12 0.75 2.48 -3.47 -0.60 0.00 0.00 178.31 177.59 3k21 n ASP 132 N -4.01 4.54 -0.17 2.17 2.03 -0.19 -4.39 116.55 116.52 3k21 n ASP 132 Ca -0.02 -2.93 -0.02 0.00 0.52 0.00 0.00 54.79 52.35 3k21 n ASP 132 Cb 0.51 -1.64 0.07 0.00 -0.72 0.00 0.00 41.12 39.34 3k21 n ASP 132 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3k21 h VAL 133 N 4.43 0.61 -0.20 5.18 2.07 -1.76 -0.82 116.25 125.76 3k21 h VAL 133 Ca 0.48 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.95 3k21 h VAL 133 Cb 0.72 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3k21 h VAL 133 CO 1.65 0.03 0.00 -0.90 0.02 0.00 0.00 177.57 178.37 3k21 n ASP 134 N -5.21 1.54 -2.62 0.57 5.68 -1.26 -4.94 116.55 110.31 3k21 n ASP 134 Ca 0.06 -1.78 -0.21 0.00 -0.50 0.00 0.00 54.79 52.36 3k21 n ASP 134 Cb 0.28 -0.13 0.01 0.00 -1.14 0.00 0.00 41.12 40.14 3k21 n ASP 134 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3k21 n ASN 135 N 0.27 -6.00 -0.80 -1.12 5.15 -0.31 -4.88 115.26 107.57 3k21 n ASN 135 Ca 0.14 -0.11 0.12 0.00 -0.60 0.00 0.00 54.58 54.13 3k21 n ASN 135 Cb 0.29 -4.94 0.30 0.00 -0.53 0.00 0.00 39.78 34.90 3k21 n ASN 135 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3k21 n ASP 136 N -2.20 2.42 0.00 1.20 5.75 -1.26 -4.93 116.55 117.53 3k21 n ASP 136 Ca -0.20 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 3k21 n ASP 136 Cb 0.66 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 3k21 n ASP 136 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k21 n GLY 137 N 1.29 0.70 2.79 6.12 0.00 -1.26 -5.04 105.19 109.79 3k21 n GLY 137 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3k21 n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k21 s GLU 138 N -0.61 0.40 -0.26 1.61 2.02 -1.26 -4.23 118.70 116.37 3k21 s GLU 138 Ca 0.00 0.11 -0.26 0.00 0.02 0.00 0.00 54.97 54.84 3k21 s GLU 138 Cb 0.00 -0.68 0.00 0.00 0.10 0.00 0.00 34.13 33.56 3k21 s GLU 138 CO 0.00 -0.21 0.91 0.42 0.02 0.00 0.00 175.26 176.40 3k21 s ILE 139 N 1.45 4.74 0.48 -1.63 1.01 0.55 -4.85 121.20 122.95 3k21 s ILE 139 Ca -0.03 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.25 3k21 s ILE 139 Cb -0.13 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3k21 s ILE 139 CO -0.03 -0.19 0.70 0.42 0.00 0.00 0.00 174.94 175.84 3k21 s THR 140 N 3.07 3.73 0.21 2.92 -4.23 -1.26 -1.10 115.64 118.99 3k21 s THR 140 Ca 0.38 -0.51 -0.09 0.00 -1.18 0.00 0.00 61.69 60.29 3k21 s THR 140 Cb -0.14 -3.39 0.15 0.00 1.34 0.00 0.00 72.50 70.45 3k21 s THR 140 CO 0.09 -0.28 1.81 0.00 -0.54 0.00 0.00 174.62 175.71 3k21 h THR 141 N 0.31 0.97 -0.58 3.99 1.03 -1.95 -1.19 112.91 115.50 3k21 h THR 141 Ca -0.45 -0.24 -0.10 0.00 -0.01 0.00 0.00 66.41 65.61 3k21 h THR 141 Cb 1.26 0.21 -0.02 0.00 -1.07 0.00 0.00 68.15 68.53 3k21 h THR 141 CO 0.56 0.13 -0.01 0.00 -0.01 0.00 0.00 175.52 176.19 3k21 h ALA 142 N 1.35 0.79 -0.14 0.00 0.00 -1.95 -0.18 119.26 119.13 3k21 h ALA 142 Ca 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3k21 h ALA 142 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k21 h ALA 142 CO -0.18 0.63 0.05 0.93 0.00 0.00 0.00 179.25 180.68 3k21 h GLU 143 N 0.93 0.22 -0.64 0.00 5.08 -1.79 -1.39 114.58 116.99 3k21 h GLU 143 Ca 0.16 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3k21 h GLU 143 Cb 0.56 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3k21 h GLU 143 CO 0.03 0.33 0.24 1.25 -1.00 0.00 0.00 179.01 179.86 3k21 h LEU 144 N 0.06 0.89 -0.71 1.33 5.85 -1.07 -1.70 115.31 119.96 3k21 h LEU 144 Ca 0.05 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 3k21 h LEU 144 Cb 0.19 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3k21 h LEU 144 CO -0.00 0.83 0.38 0.00 -0.34 0.00 0.00 178.44 179.31 3k21 h ALA 145 N 1.10 0.91 -0.35 1.25 0.00 -0.95 -0.40 119.26 120.82 3k21 h ALA 145 Ca 0.21 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3k21 h ALA 145 Cb 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3k21 h ALA 145 CO -0.01 0.43 0.14 0.45 0.00 0.00 0.00 179.25 180.25 3k21 h HIS 146 N 0.98 0.25 -0.04 0.00 3.86 -0.91 0.53 115.15 119.82 3k21 h HIS 146 Ca 0.25 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 3k21 h HIS 146 Cb 0.05 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 3k21 h HIS 146 CO -0.00 0.11 -0.00 0.82 0.86 0.00 0.00 177.93 179.72 3k21 h ILE 147 N 0.30 1.26 -0.65 2.45 1.08 -1.04 0.41 117.51 121.33 3k21 h ILE 147 Ca 0.15 -0.80 -0.07 0.00 -0.39 0.00 0.00 64.86 63.75 3k21 h ILE 147 Cb 0.11 1.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 3k21 h ILE 147 CO -0.14 0.22 0.12 -0.07 -0.69 0.00 0.00 178.15 177.58 3k21 h LEU 148 N -0.25 1.01 0.00 1.44 3.38 -0.97 -2.45 115.31 117.47 3k21 h LEU 148 Ca 0.01 -0.23 -0.33 0.00 0.09 0.00 0.00 57.88 57.43 3k21 h LEU 148 Cb 0.35 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3k21 h LEU 148 CO 0.00 1.00 -2.22 -1.22 0.09 0.00 0.00 178.44 176.08 3k21 n TYR 149 N -4.22 0.00 -0.01 1.13 4.01 0.17 -4.54 117.16 113.69 3k21 n TYR 149 Ca 0.04 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.83 3k21 n TYR 149 Cb 0.28 -0.87 -0.13 0.00 -0.31 0.00 0.00 39.34 38.31 3k21 n TYR 149 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3k21 n ASN 150 N -2.76 0.23 0.00 7.72 5.03 0.07 -4.99 115.26 120.56 3k21 n ASN 150 Ca -0.31 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.24 3k21 n ASN 150 Cb 1.04 1.31 0.00 0.00 -1.02 0.00 0.00 39.78 41.11 3k21 n ASN 150 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k21 n GLY 151 N 1.39 1.30 3.85 7.41 0.00 -0.80 -4.94 105.19 113.39 3k21 n GLY 151 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 3k21 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k21 s ASN 152 N -3.14 -0.02 0.31 1.61 2.20 -1.20 -4.87 114.94 109.85 3k21 s ASN 152 Ca 0.00 -0.81 0.26 0.00 -0.94 0.00 0.00 52.86 51.37 3k21 s ASN 152 Cb 0.00 0.62 0.99 0.00 -2.00 0.00 0.00 41.25 40.86 3k21 s ASN 152 CO 0.00 -1.22 1.77 0.07 -2.94 0.00 0.00 177.10 174.78 3k21 h LYS 153 N 2.00 0.00 -6.15 3.55 -0.00 -1.92 -3.31 116.57 110.74 3k21 h LYS 153 Ca -0.29 0.00 -0.56 0.00 -0.00 0.00 0.00 60.65 59.80 3k21 h LYS 153 Cb 1.23 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.40 3k21 h LYS 153 CO 0.36 0.00 -0.53 0.15 -0.00 0.00 0.00 179.45 179.43 3k21 s LYS 154 N -3.33 3.08 0.00 0.07 1.02 -1.26 -4.96 119.74 114.35 3k21 s LYS 154 Ca 0.05 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3k21 s LYS 154 Cb 0.10 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 3k21 s LYS 154 CO 0.47 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.81 3k21 n GLY 155 N -0.40 1.62 3.72 -3.33 0.00 -1.26 -4.85 105.19 100.69 3k21 n GLY 155 Ca -0.08 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 3k21 n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k21 s ASN 156 N 0.00 7.09 0.29 1.61 2.47 -1.26 -5.06 114.94 120.08 3k21 s ASN 156 Ca 0.00 1.31 0.09 0.00 0.42 0.00 0.00 52.86 54.68 3k21 s ASN 156 Cb 0.00 -2.45 -0.06 0.00 -1.45 0.00 0.00 41.25 37.29 3k21 s ASN 156 CO 0.00 -0.13 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.51 3k21 s ILE 157 N 0.76 2.01 0.36 -5.21 1.01 -1.26 -4.88 121.20 113.99 3k21 s ILE 157 Ca 0.41 -2.22 0.08 0.00 0.00 0.00 0.00 60.65 58.92 3k21 s ILE 157 Cb -0.19 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 3k21 s ILE 157 CO 0.21 -0.33 0.11 0.42 0.00 0.00 0.00 174.94 175.34 3k21 s THR 158 N -2.78 2.68 0.37 2.92 -4.23 -1.26 -5.02 115.64 108.32 3k21 s THR 158 Ca 0.29 -1.79 0.09 0.00 -1.18 0.00 0.00 61.69 59.11 3k21 s THR 158 Cb 0.01 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 71.06 3k21 s THR 158 CO 0.13 -0.13 1.87 -0.61 -0.54 0.00 0.00 174.62 175.34 3k21 h GLN 159 N 1.60 0.23 -0.73 3.99 5.75 -2.02 -1.17 115.11 122.75 3k21 h GLN 159 Ca -0.43 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 57.99 3k21 h GLN 159 Cb 1.25 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.74 3k21 h GLN 159 CO 0.66 0.42 0.38 -0.09 -2.65 0.00 0.00 178.83 177.56 3k21 h ARG 160 N 0.21 1.04 -0.45 1.69 2.43 -1.99 0.05 114.38 117.36 3k21 h ARG 160 Ca 0.04 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3k21 h ARG 160 Cb 0.47 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3k21 h ARG 160 CO 0.03 0.79 0.30 -0.44 -1.51 0.00 0.00 179.97 179.14 3k21 h ASP 161 N 1.02 0.51 -0.60 -3.80 3.32 -1.75 -1.62 116.42 113.49 3k21 h ASP 161 Ca 0.26 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 3k21 h ASP 161 Cb 0.08 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3k21 h ASP 161 CO -0.04 0.37 0.26 0.58 -1.72 0.00 0.00 179.24 178.69 3k21 h VAL 162 N 0.60 1.22 -0.85 -1.35 2.07 -0.96 -1.60 116.25 115.39 3k21 h VAL 162 Ca 0.17 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3k21 h VAL 162 Cb -0.06 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3k21 h VAL 162 CO -0.04 0.26 0.47 0.78 0.02 0.00 0.00 177.57 179.06 3k21 h ASN 163 N 0.82 1.05 -0.41 0.57 2.35 -0.81 0.12 115.58 119.28 3k21 h ASN 163 Ca 0.20 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3k21 h ASN 163 Cb 0.16 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3k21 h ASN 163 CO -0.02 0.84 0.26 -0.09 -1.65 0.00 0.00 177.43 176.77 3k21 h ARG 164 N 1.18 0.51 -0.37 0.81 2.43 -1.00 -1.52 114.38 116.43 3k21 h ARG 164 Ca 0.30 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.32 3k21 h ARG 164 Cb 0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3k21 h ARG 164 CO -0.05 0.34 -0.25 0.28 -1.51 0.00 0.00 179.97 178.78 3k21 h VAL 165 N 0.53 1.27 -0.88 0.20 2.07 -0.90 -2.47 116.25 116.07 3k21 h VAL 165 Ca 0.15 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 66.37 3k21 h VAL 165 Cb -0.04 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3k21 h VAL 165 CO -0.05 0.45 0.55 0.50 0.02 0.00 0.00 177.57 179.04 3k21 h LYS 166 N 0.65 0.95 -0.35 1.57 3.64 -0.51 0.29 116.57 122.80 3k21 h LYS 166 Ca 0.08 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3k21 h LYS 166 Cb 0.77 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3k21 h LYS 166 CO 0.06 0.63 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.71 3k21 h ARG 167 N 0.98 0.59 0.39 1.90 2.43 -1.08 -1.62 114.38 117.98 3k21 h ARG 167 Ca 0.39 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3k21 h ARG 167 Cb 0.21 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3k21 h ARG 167 CO -0.19 0.66 -0.42 0.52 -1.51 0.00 0.00 179.97 179.03 3k21 h MET 168 N 0.55 -0.81 -0.87 0.20 2.86 -0.74 -2.96 114.93 113.16 3k21 h MET 168 Ca 0.11 0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.90 3k21 h MET 168 Cb 0.46 0.18 -0.06 0.00 0.06 0.00 0.00 31.60 32.24 3k21 h MET 168 CO 0.02 -0.54 0.57 0.82 1.06 0.00 0.00 176.91 178.84 3k21 h ILE 169 N -0.84 0.97 -0.85 -1.22 2.04 -0.69 0.04 117.51 116.95 3k21 h ILE 169 Ca -0.03 -0.30 0.19 0.00 1.00 0.00 0.00 64.86 65.72 3k21 h ILE 169 Cb 0.75 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 3k21 h ILE 169 CO -0.08 0.16 0.57 0.03 0.00 0.00 0.00 178.15 178.83 3k21 h ARG 170 N 0.86 0.37 0.00 2.37 3.08 -1.12 0.80 114.38 120.74 3k21 h ARG 170 Ca 0.40 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3k21 h ARG 170 Cb 0.41 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3k21 h ARG 170 CO -0.17 0.25 0.00 -0.44 -1.07 0.00 0.00 179.97 178.54 3k21 h ASP 171 N 0.38 0.00 0.00 7.04 5.19 -1.04 -3.32 116.42 124.67 3k21 h ASP 171 Ca 0.44 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.64 3k21 h ASP 171 Cb 1.10 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.58 3k21 h ASP 171 CO -0.15 0.00 -1.76 0.52 -3.12 0.00 0.00 179.24 174.73 3k21 n VAL 172 N -2.82 0.76 -1.95 -1.35 0.31 -0.30 -5.01 118.33 107.98 3k21 n VAL 172 Ca 0.02 -0.46 -0.41 0.00 -0.01 0.00 0.00 64.34 63.48 3k21 n VAL 172 Cb 0.35 -0.71 -0.01 0.00 -0.91 0.00 0.00 33.84 32.55 3k21 n VAL 172 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k21 s ASP 173 N -4.40 6.55 -0.00 4.52 2.15 0.12 -4.84 116.67 120.77 3k21 s ASP 173 Ca -0.06 2.85 0.01 0.00 0.43 0.00 0.00 52.55 55.78 3k21 s ASP 173 Cb 0.03 -2.65 -0.01 0.00 -0.30 0.00 0.00 42.92 39.99 3k21 s ASP 173 CO 0.45 -0.73 0.03 0.29 -0.17 0.00 0.00 175.17 175.04 3k21 n LYS 174 N 1.06 2.88 -0.25 4.34 5.02 -1.26 -4.72 118.16 125.23 3k21 n LYS 174 Ca 0.02 -0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.37 3k21 n LYS 174 Cb 0.40 -0.82 0.17 0.00 -0.02 0.00 0.00 35.03 34.77 3k21 n LYS 174 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3k21 n ASN 175 N -1.32 3.13 -2.64 4.39 0.23 -1.26 -4.99 115.26 112.81 3k21 n ASN 175 Ca -0.00 -2.47 -0.20 0.00 -0.53 0.00 0.00 54.58 51.37 3k21 n ASN 175 Cb 0.02 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 3k21 n ASN 175 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3k21 n ASN 176 N -0.15 -5.55 -0.68 0.53 5.15 -1.26 -4.86 115.26 108.44 3k21 n ASN 176 Ca 0.14 -0.08 0.12 0.00 -0.60 0.00 0.00 54.58 54.16 3k21 n ASN 176 Cb 0.60 -4.59 0.10 0.00 -0.53 0.00 0.00 39.78 35.36 3k21 n ASN 176 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3k21 n ASP 177 N -2.14 2.35 -0.02 1.20 5.75 -1.26 -4.97 116.55 117.45 3k21 n ASP 177 Ca -0.18 -1.68 -0.00 0.00 -0.01 0.00 0.00 54.79 52.92 3k21 n ASP 177 Cb 0.65 0.22 -0.00 0.00 -1.03 0.00 0.00 41.12 40.96 3k21 n ASP 177 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k21 n GLY 178 N 1.37 0.36 3.30 6.12 0.00 -1.26 -5.01 105.19 110.06 3k21 n GLY 178 Ca 0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 3k21 n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k21 s LYS 179 N -0.72 1.19 -0.27 1.61 1.02 -1.26 -4.49 119.74 116.81 3k21 s LYS 179 Ca 0.00 -1.45 -0.06 0.00 0.02 0.00 0.00 55.97 54.48 3k21 s LYS 179 Cb 0.00 -0.98 -0.00 0.00 -0.52 0.00 0.00 37.83 36.33 3k21 s LYS 179 CO 0.00 0.17 0.05 0.42 -0.92 0.00 0.00 175.35 175.07 3k21 s ILE 180 N -2.75 3.92 0.70 2.17 1.01 -0.25 -4.76 121.20 121.24 3k21 s ILE 180 Ca 0.17 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 3k21 s ILE 180 Cb -0.02 -2.94 0.11 0.00 0.01 0.00 0.00 42.46 39.63 3k21 s ILE 180 CO 0.04 0.20 0.96 1.51 0.00 0.00 0.00 174.94 177.66 3k21 s ASP 181 N 1.52 4.48 0.19 3.58 1.47 -1.26 -0.33 116.67 126.31 3k21 s ASP 181 Ca 0.04 -0.31 -0.12 0.00 1.18 0.00 0.00 52.55 53.33 3k21 s ASP 181 Cb -0.16 -0.13 0.14 0.00 -0.34 0.00 0.00 42.92 42.42 3k21 s ASP 181 CO 0.02 -1.76 1.83 0.15 0.68 0.00 0.00 175.17 176.08 3k21 h PHE 182 N -0.45 0.68 -0.28 2.11 3.57 -2.00 -0.23 116.94 120.35 3k21 h PHE 182 Ca -0.37 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.18 3k21 h PHE 182 Cb 1.27 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 3k21 h PHE 182 CO -0.11 0.39 0.07 1.25 -2.23 0.00 0.00 178.31 177.68 3k21 h HIS 183 N 0.72 0.12 -0.76 0.41 2.76 -1.96 0.47 115.15 116.91 3k21 h HIS 183 Ca 0.24 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 3k21 h HIS 183 Cb 0.02 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 3k21 h HIS 183 CO -0.06 0.04 0.44 0.93 -1.30 0.00 0.00 177.93 177.98 3k21 h GLU 184 N 0.18 1.05 -0.43 5.26 5.08 -1.80 -1.23 114.58 122.68 3k21 h GLU 184 Ca 0.13 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3k21 h GLU 184 Cb 0.12 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3k21 h GLU 184 CO -0.15 0.76 0.24 0.35 -1.00 0.00 0.00 179.01 179.20 3k21 h PHE 185 N 1.05 0.59 -0.73 4.33 3.57 -0.72 -2.33 116.94 122.69 3k21 h PHE 185 Ca 0.27 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.86 3k21 h PHE 185 Cb -0.00 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 38.47 3k21 h PHE 185 CO -0.00 0.44 0.37 0.77 -2.23 0.00 0.00 178.31 177.66 3k21 h SER 186 N 0.56 0.48 0.73 0.41 0.02 -0.66 -1.51 113.55 113.58 3k21 h SER 186 Ca 0.15 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3k21 h SER 186 Cb 0.05 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3k21 h SER 186 CO -0.03 0.27 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.44 3k21 h GLU 187 N 0.62 0.00 -0.14 3.45 5.08 -0.93 -0.63 114.58 122.03 3k21 h GLU 187 Ca 0.36 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.56 3k21 h GLU 187 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 3k21 h GLU 187 CO -0.28 0.16 -0.58 1.98 -1.00 0.00 0.00 179.01 179.30 3k21 h MET 188 N 0.00 0.63 -0.07 2.33 4.05 -0.85 -3.35 114.93 117.67 3k21 h MET 188 Ca -0.00 -0.50 -0.17 0.00 -0.28 0.00 0.00 59.70 58.75 3k21 h MET 188 Cb 0.57 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 3k21 h MET 188 CO 0.02 1.12 -0.70 0.52 0.23 0.00 0.00 176.91 178.09 3k21 h MET 189 N 0.29 0.32 -5.74 0.39 2.86 -0.81 -3.43 114.93 108.81 3k21 h MET 189 Ca -0.03 -0.26 -0.66 0.00 -2.06 0.00 0.00 59.70 56.69 3k21 h MET 189 Cb 1.21 0.05 -0.15 0.00 0.06 0.00 0.00 31.60 32.77 3k21 h MET 189 CO 0.12 0.90 -0.61 0.15 1.06 0.00 0.00 176.91 178.54 3k21 s LYS 190 N -3.61 3.29 0.00 1.72 1.02 -0.29 -4.85 119.74 117.02 3k21 s LYS 190 Ca -0.05 -0.39 0.22 0.00 0.02 0.00 0.00 55.97 55.78 3k21 s LYS 190 Cb 0.11 -2.92 1.31 0.00 -0.52 0.00 0.00 37.83 35.81 3k21 s LYS 190 CO 0.82 0.58 1.69 1.28 -0.92 0.00 0.00 175.35 178.80