#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z n LYS 2 N 0.00 -4.10 -0.13 0.00 4.81 -1.26 -4.41 118.16 113.07 3i1z n LYS 2 Ca 0.00 3.09 0.03 0.00 -0.87 0.00 0.00 58.31 60.56 3i1z n LYS 2 Cb 0.00 -3.96 0.34 0.00 0.02 0.00 0.00 35.03 31.43 3i1z n LYS 2 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3i1z h GLN 3 N 3.40 0.76 0.52 1.64 5.75 -1.99 -2.06 115.11 123.12 3i1z h GLN 3 Ca -0.08 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 3i1z h GLN 3 Cb 0.18 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 28.56 3i1z h GLN 3 CO 0.00 0.50 -0.25 1.03 -2.65 0.00 0.00 178.83 177.47 3i1z h SER 4 N 0.78 -0.59 0.11 -0.69 0.87 -1.99 0.18 113.55 112.22 3i1z h SER 4 Ca 0.24 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3i1z h SER 4 Cb 0.00 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3i1z h SER 4 CO -0.06 -0.29 0.00 0.23 -0.53 0.00 0.00 176.83 176.18 3i1z n MET 5 N -5.32 0.29 -0.13 2.24 2.81 -1.10 -1.73 117.12 114.18 3i1z n MET 5 Ca -0.11 0.08 -0.22 0.00 -1.81 0.00 0.00 57.70 55.64 3i1z n MET 5 Cb 0.32 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.21 3i1z n MET 5 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3i1z n LYS 6 N -1.13 0.62 -0.36 0.03 4.81 -0.79 -4.22 118.16 117.12 3i1z n LYS 6 Ca 0.08 0.18 0.02 0.00 -0.87 0.00 0.00 58.31 57.72 3i1z n LYS 6 Cb 0.07 -1.50 0.16 0.00 0.02 0.00 0.00 35.03 33.78 3i1z n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1z h ALA 7 N -0.32 1.33 -0.73 3.14 0.00 -0.33 -2.24 119.26 120.11 3i1z h ALA 7 Ca -0.61 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.43 3i1z h ALA 7 Cb 1.80 -0.30 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 3i1z h ALA 7 CO -0.20 0.42 0.14 0.00 0.00 0.00 0.00 179.25 179.61 3i1z h ARG 8 N 1.14 0.23 0.27 0.00 3.08 -1.53 -2.57 114.38 114.99 3i1z h ARG 8 Ca 0.41 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3i1z h ARG 8 Cb 0.14 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3i1z h ARG 8 CO -0.17 0.15 -0.52 1.49 -1.07 0.00 0.00 179.97 179.85 3i1z h GLU 9 N 0.23 -0.82 -0.96 0.04 4.57 -1.57 -0.66 114.58 115.41 3i1z h GLU 9 Ca 0.41 0.06 0.26 0.00 -1.18 0.00 0.00 59.36 58.90 3i1z h GLU 9 Cb 0.71 0.19 -0.18 0.00 -0.16 0.00 0.00 28.75 29.31 3i1z h GLU 9 CO -0.53 -0.55 0.04 0.28 -1.18 0.00 0.00 179.01 177.07 3i1z h VAL 10 N -0.86 0.07 0.17 0.32 2.07 -1.48 0.43 116.25 116.98 3i1z h VAL 10 Ca -0.03 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3i1z h VAL 10 Cb 0.81 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3i1z h VAL 10 CO -0.21 0.01 -0.08 0.50 0.02 0.00 0.00 177.57 177.81 3i1z h LYS 11 N 0.03 -0.22 -0.65 1.57 3.64 -1.21 0.12 116.57 119.85 3i1z h LYS 11 Ca 0.58 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 60.10 3i1z h LYS 11 Cb 1.17 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 3i1z h LYS 11 CO -0.88 -0.08 0.44 0.00 -2.27 0.00 0.00 179.45 176.66 3i1z h ARG 12 N -0.31 0.34 0.04 1.90 3.08 0.12 -0.45 114.38 119.10 3i1z h ARG 12 Ca -0.02 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3i1z h ARG 12 Cb 0.24 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.22 3i1z h ARG 12 CO 0.04 0.23 -0.26 0.28 -1.07 0.00 0.00 179.97 179.18 3i1z h VAL 13 N 0.35 1.67 -0.30 2.04 2.07 -0.49 -3.10 116.25 118.49 3i1z h VAL 13 Ca 0.31 -2.29 0.05 0.00 0.82 0.00 0.00 66.70 65.58 3i1z h VAL 13 Cb 0.73 3.20 -0.04 0.00 -1.52 0.00 0.00 31.29 33.65 3i1z h VAL 13 CO -0.08 0.62 0.04 0.00 0.02 0.00 0.00 177.57 178.16 3i1z h ALA 14 N 0.08 0.30 -0.57 1.67 0.00 -0.34 -3.00 119.26 117.40 3i1z h ALA 14 Ca -0.04 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i1z h ALA 14 Cb 1.16 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3i1z h ALA 14 CO 0.05 -0.37 0.17 -0.07 0.00 0.00 0.00 179.25 179.03 3i1z h LEU 15 N 0.14 0.80 -0.79 0.00 3.38 -1.22 -2.80 115.31 114.82 3i1z h LEU 15 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i1z h LEU 15 Cb 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3i1z h LEU 15 CO -0.20 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.08 3i1z n ALA 16 N -2.46 1.96 0.00 1.53 0.00 -1.13 -1.84 120.51 118.57 3i1z n ALA 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i1z n ALA 16 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3i1z n ALA 16 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1z n ASP 17 N 0.05 0.00 0.08 0.00 5.75 -1.12 -4.24 116.55 117.07 3i1z n ASP 17 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 3i1z n ASP 17 Cb 0.12 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.14 3i1z n ASP 17 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3i1z h LYS 18 N 0.00 -0.13 0.00 0.11 1.57 -1.13 -3.40 116.57 113.59 3i1z h LYS 18 Ca 0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3i1z h LYS 18 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3i1z h LYS 18 CO 0.00 -0.08 -1.28 0.66 -0.57 0.00 0.00 179.45 178.18 3i1z n TYR 19 N -5.15 0.09 -1.62 -1.35 4.02 -0.77 -4.62 117.16 107.76 3i1z n TYR 19 Ca -0.08 0.04 -0.30 0.00 -0.01 0.00 0.00 57.90 57.55 3i1z n TYR 19 Cb 0.09 -0.63 0.08 0.00 -0.02 0.00 0.00 39.34 38.85 3i1z n TYR 19 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3i1z s PHE 20 N -2.77 2.94 0.00 -0.72 0.40 -1.26 0.42 117.98 116.99 3i1z s PHE 20 Ca -0.30 1.15 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 3i1z s PHE 20 Cb 0.06 -3.09 0.00 0.00 0.51 0.00 0.00 43.02 40.50 3i1z s PHE 20 CO 0.43 -1.62 0.00 0.00 0.70 0.00 0.00 175.22 174.73 3i1z n ALA 21 N -3.33 0.00 -2.07 5.36 0.00 -1.26 -3.88 120.51 115.33 3i1z n ALA 21 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i1z n ALA 21 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3i1z n ALA 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1z n LYS 22 N -1.30 0.00 0.00 0.00 3.00 -0.88 -4.66 118.16 114.32 3i1z n LYS 22 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 3i1z n LYS 22 Cb 0.00 0.00 0.31 0.00 0.00 0.00 0.00 35.03 35.34 3i1z n LYS 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i1z n ARG 23 N 0.00 0.30 -0.22 1.64 1.74 0.17 -1.38 116.66 118.90 3i1z n ARG 23 Ca 0.00 0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 3i1z n ARG 23 Cb 0.00 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.17 3i1z n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1z n ALA 24 N -1.05 2.41 0.18 7.54 0.00 -0.69 -3.54 120.51 125.36 3i1z n ALA 24 Ca 0.07 -1.05 0.06 0.00 0.00 0.00 0.00 53.44 52.52 3i1z n ALA 24 Cb 0.04 -0.87 0.27 0.00 0.00 0.00 0.00 19.45 18.89 3i1z n ALA 24 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i1z h GLU 25 N 4.44 0.00 -5.04 0.00 4.11 -1.49 -3.39 114.58 113.21 3i1z h GLU 25 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 3i1z h GLU 25 Cb 0.99 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 3i1z h GLU 25 CO 0.00 0.37 2.10 1.28 0.07 0.00 0.00 179.01 182.84 3i1z n LEU 26 N -3.40 4.61 0.00 3.06 4.32 -1.23 -2.87 117.00 121.48 3i1z n LEU 26 Ca 0.01 -3.51 0.00 0.00 -0.02 0.00 0.00 56.01 52.48 3i1z n LEU 26 Cb 0.56 -1.58 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 3i1z n LEU 26 CO 0.37 -0.33 0.00 2.29 -1.22 0.00 0.00 177.39 178.50 3i1z n LYS 27 N 7.56 0.00 0.00 3.23 -0.00 -1.26 -4.89 118.16 122.80 3i1z n LYS 27 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 3i1z n LYS 27 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.46 3i1z n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1z n ALA 28 N -0.65 0.00 -0.34 0.58 0.00 -1.14 -0.30 120.51 118.66 3i1z n ALA 28 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 3i1z n ALA 28 Cb 0.00 0.00 0.47 0.00 0.00 0.00 0.00 19.45 19.92 3i1z n ALA 28 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i1z h ILE 29 N 0.00 0.50 0.00 0.00 2.04 -1.90 -0.24 117.51 117.92 3i1z h ILE 29 Ca 0.00 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3i1z h ILE 29 Cb 0.00 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3i1z h ILE 29 CO 0.00 0.08 -0.05 0.40 0.00 0.00 0.00 178.15 178.58 3i1z h ILE 30 N 0.44 0.37 0.00 -0.67 5.03 -1.88 -2.79 117.51 118.01 3i1z h ILE 30 Ca 0.63 -0.29 -0.01 0.00 -0.12 0.00 0.00 64.86 65.07 3i1z h ILE 30 Cb 1.46 1.20 -0.02 0.00 -3.03 0.00 0.00 36.82 36.44 3i1z h ILE 30 CO -0.37 0.05 -0.27 -1.20 -0.68 0.00 0.00 178.15 175.68 3i1z n SER 31 N -3.51 1.39 -4.23 1.72 7.64 0.58 -4.80 113.62 112.43 3i1z n SER 31 Ca -0.02 -2.71 -0.22 0.00 1.01 0.00 0.00 58.87 56.93 3i1z n SER 31 Cb 0.17 -0.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.93 3i1z n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1z s ASP 32 N -2.19 2.28 -0.96 6.43 2.15 -0.61 -5.00 116.67 118.78 3i1z s ASP 32 Ca 0.21 -1.53 -0.22 0.00 0.43 0.00 0.00 52.55 51.44 3i1z s ASP 32 Cb 0.19 0.27 -0.25 0.00 -0.30 0.00 0.00 42.92 42.83 3i1z s ASP 32 CO 0.00 -0.80 2.45 0.52 -0.17 0.00 0.00 175.17 177.17 3i1z n VAL 33 N -0.74 -0.01 -2.33 1.11 0.31 -1.26 -4.64 118.33 110.77 3i1z n VAL 33 Ca -0.03 -0.28 0.01 0.00 -0.01 0.00 0.00 64.34 64.03 3i1z n VAL 33 Cb 0.66 -0.53 -0.01 0.00 -0.91 0.00 0.00 33.84 33.05 3i1z n VAL 33 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3i1z n ASN 34 N 9.34 0.39 0.00 4.52 3.02 -1.26 -5.06 115.26 126.20 3i1z n ASN 34 Ca 0.64 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 3i1z n ASN 34 Cb 0.13 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3i1z n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1z n ALA 35 N 0.33 0.00 0.00 5.41 0.00 -1.26 -5.12 120.51 119.88 3i1z n ALA 35 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i1z n ALA 35 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 3i1z n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1z n ARG 40 N 0.00 0.00 -1.70 0.00 0.63 -1.26 -5.27 116.66 109.06 3i1z n ARG 40 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 3i1z n ARG 40 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 3i1z n ARG 40 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 3i1z s TRP 41 N -2.00 1.27 -0.12 -0.14 -2.14 -1.26 -4.81 118.94 109.73 3i1z s TRP 41 Ca 0.00 1.44 0.28 0.00 2.66 0.00 0.00 56.10 60.49 3i1z s TRP 41 Cb 0.00 -3.68 1.32 0.00 -3.10 0.00 0.00 33.47 28.01 3i1z s TRP 41 CO 0.00 -2.17 1.85 -0.97 -2.66 0.00 0.00 176.95 173.00 3i1z h ASN 42 N 16.24 0.00 0.00 -2.66 -1.24 -2.01 -3.09 115.58 122.82 3i1z h ASN 42 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.86 3i1z h ASN 42 Cb 1.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.21 3i1z h ASN 42 CO 1.14 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 177.28 3i1z n ALA 43 N -1.89 1.36 -0.64 1.57 0.00 -1.26 -3.40 120.51 116.26 3i1z n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1z n ALA 43 Cb 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3i1z n ALA 43 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1z n VAL 44 N -1.12 0.00 -0.92 0.00 0.24 -1.17 -3.29 118.33 112.07 3i1z n VAL 44 Ca 0.00 0.76 -0.10 0.00 -2.04 0.00 0.00 64.34 62.96 3i1z n VAL 44 Cb 0.00 -1.50 -0.13 0.00 -1.47 0.00 0.00 33.84 30.75 3i1z n VAL 44 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3i1z n LEU 45 N -1.04 5.32 0.00 1.34 7.94 -1.22 -3.11 117.00 126.24 3i1z n LEU 45 Ca 0.00 -3.06 0.00 0.00 -1.11 0.00 0.00 56.01 51.84 3i1z n LEU 45 Cb 0.00 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 42.60 3i1z n LEU 45 CO 0.00 1.56 -0.11 0.29 -1.11 0.00 0.00 177.39 178.02 3i1z n LYS 46 N 2.22 2.64 0.00 1.96 4.76 -1.24 -4.71 118.16 123.79 3i1z n LYS 46 Ca 0.35 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.88 3i1z n LYS 46 Cb 0.82 -0.61 0.43 0.00 -1.84 0.00 0.00 35.03 33.83 3i1z n LYS 46 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i1z n LEU 47 N -0.60 0.00 -3.30 -0.35 7.94 -1.18 -4.31 117.00 115.20 3i1z n LEU 47 Ca 0.00 0.42 -0.37 0.00 -1.11 0.00 0.00 56.01 54.95 3i1z n LEU 47 Cb 0.06 -0.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.56 3i1z n LEU 47 CO 0.00 -0.15 3.26 1.67 -1.11 0.00 0.00 177.39 181.06 3i1z n GLN 48 N -1.42 3.47 -0.27 1.96 -0.06 -1.26 -3.88 117.38 115.91 3i1z n GLN 48 Ca 0.06 -2.11 0.04 0.00 -2.00 0.00 0.00 57.00 52.99 3i1z n GLN 48 Cb 0.20 -2.76 0.05 0.00 -4.06 0.00 0.00 30.24 23.67 3i1z n GLN 48 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3i1z n THR 49 N 3.69 0.74 -1.42 1.69 -2.24 -1.26 -5.08 114.28 110.40 3i1z n THR 49 Ca 0.74 -0.88 -0.32 0.00 -2.27 0.00 0.00 64.05 61.33 3i1z n THR 49 Cb 0.22 0.27 0.08 0.00 -2.10 0.00 0.00 70.33 68.80 3i1z n THR 49 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i1z s LEU 50 N -1.10 3.15 0.00 3.22 1.43 -1.25 -4.93 118.68 119.20 3i1z s LEU 50 Ca 0.12 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 3i1z s LEU 50 Cb 0.10 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.79 3i1z s LEU 50 CO 0.01 -1.90 0.00 -2.65 0.23 0.00 0.00 176.35 172.04 3i1z n PRO 51 N -3.16 0.00 0.00 1.29 -0.02 -1.26 -4.91 135.00 126.94 3i1z n PRO 51 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3i1z n PRO 51 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3i1z n PRO 51 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i1z n ARG 52 N 0.00 0.00 0.30 -0.52 3.00 -1.26 -4.85 116.66 113.33 3i1z n ARG 52 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.04 3i1z n ARG 52 Cb 0.00 0.00 1.01 0.00 0.00 0.00 0.00 32.46 33.47 3i1z n ARG 52 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3i1z h ASP 53 N 0.00 0.00 -0.92 6.15 3.45 -1.92 -3.34 116.42 119.84 3i1z h ASP 53 Ca 0.00 0.00 -0.50 0.00 0.43 0.00 0.00 57.03 56.96 3i1z h ASP 53 Cb 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.69 3i1z h ASP 53 CO 0.00 0.00 1.34 -0.55 -1.57 0.00 0.00 179.24 178.46 3i1z s SER 54 N -5.37 6.04 0.00 6.45 0.15 -1.26 -4.29 113.70 115.42 3i1z s SER 54 Ca -0.05 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.23 3i1z s SER 54 Cb 0.13 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3i1z s SER 54 CO 0.45 -1.94 0.00 -0.24 1.20 0.00 0.00 173.24 172.70 3i1z n SER 55 N 10.71 0.00 0.26 5.45 2.88 -1.26 -4.77 113.62 126.89 3i1z n SER 55 Ca 0.38 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.02 3i1z n SER 55 Cb 0.49 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.64 3i1z n SER 55 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3i1z h PRO 56 N 0.00 0.00 -0.05 -1.46 0.13 -1.87 -1.99 132.00 126.77 3i1z h PRO 56 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i1z h PRO 56 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i1z h PRO 56 CO 0.00 0.10 0.00 -1.13 -0.23 0.00 0.00 178.00 176.74 3i1z n SER 57 N -3.99 0.38 -0.46 1.44 3.41 -1.26 -2.07 113.62 111.07 3i1z n SER 57 Ca -0.02 -1.60 0.08 0.00 -0.26 0.00 0.00 58.87 57.07 3i1z n SER 57 Cb 0.19 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 3i1z n SER 57 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3i1z n ARG 58 N -0.48 1.59 -1.81 4.33 3.00 -0.75 -5.01 116.66 117.53 3i1z n ARG 58 Ca 0.12 -1.01 -0.30 0.00 -0.00 0.00 0.00 57.85 56.66 3i1z n ARG 58 Cb 0.11 -1.30 0.06 0.00 0.00 0.00 0.00 32.46 31.33 3i1z n ARG 58 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3i1z s GLN 59 N -1.79 2.66 0.00 -0.14 1.11 -0.88 -5.03 119.66 115.58 3i1z s GLN 59 Ca 0.15 0.49 0.00 0.00 0.01 0.00 0.00 55.36 56.01 3i1z s GLN 59 Cb 0.14 -2.00 0.00 0.00 -1.01 0.00 0.00 33.01 30.14 3i1z s GLN 59 CO 0.36 -1.18 0.00 -2.13 0.01 0.00 0.00 175.29 172.35 3i1z n ARG 60 N -3.11 0.00 0.00 2.91 3.00 -1.26 -5.11 116.66 113.09 3i1z n ARG 60 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 3i1z n ARG 60 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 3i1z n ARG 60 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i1z n ASN 61 N 0.00 0.00 -4.82 6.15 5.03 -1.26 -5.16 115.26 115.20 3i1z n ASN 61 Ca 0.00 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.08 3i1z n ASN 61 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 3i1z n ASN 61 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3i1z s ARG 62 N 0.00 4.12 -0.49 3.52 0.52 -1.26 -4.70 118.95 120.65 3i1z s ARG 62 Ca 0.00 0.65 -0.38 0.00 -0.52 0.00 0.00 55.73 55.48 3i1z s ARG 62 Cb 0.00 -3.08 -0.16 0.00 0.52 0.00 0.00 34.95 32.23 3i1z s ARG 62 CO 0.00 0.55 2.23 0.00 0.02 0.00 0.00 175.30 178.10 3i1z h ARG 64 N 11.09 0.00 0.00 0.00 9.65 -1.85 0.23 114.38 133.49 3i1z h ARG 64 Ca -0.17 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.55 3i1z h ARG 64 Cb 1.36 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.91 3i1z h ARG 64 CO 1.10 0.00 -1.62 1.04 2.80 0.00 0.00 179.97 183.28 3i1z n GLN 65 N -2.57 2.35 -0.06 0.20 6.02 -1.26 -4.83 117.38 117.23 3i1z n GLN 65 Ca -0.01 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.87 3i1z n GLN 65 Cb 0.74 -1.24 -0.05 0.00 1.02 0.00 0.00 30.24 30.72 3i1z n GLN 65 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3i1z n THR 66 N -2.31 0.66 0.00 5.09 -2.24 -0.15 -5.02 114.28 110.32 3i1z n THR 66 Ca -0.14 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3i1z n THR 66 Cb 0.77 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 3i1z n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1z n GLY 67 N 2.57 1.79 3.57 3.38 0.00 0.62 -2.30 105.19 114.82 3i1z n GLY 67 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3i1z n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1z s ARG 68 N -0.51 3.56 0.00 1.61 3.52 -1.26 -4.52 118.95 121.34 3i1z s ARG 68 Ca 0.00 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 3i1z s ARG 68 Cb 0.00 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.44 3i1z s ARG 68 CO 0.00 -1.38 0.23 -0.35 -0.81 0.00 0.00 175.30 172.99 3i1z n PRO 69 N 7.62 0.23 -4.13 5.12 -0.04 -1.26 -3.01 135.00 139.53 3i1z n PRO 69 Ca 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 3i1z n PRO 69 Cb 0.49 -1.00 -0.10 0.00 -0.04 0.00 0.00 33.50 32.84 3i1z n PRO 69 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3i1z s HIS 70 N -1.99 0.74 -1.60 0.54 3.76 -1.26 -4.85 115.29 110.63 3i1z s HIS 70 Ca 0.00 -1.15 -0.00 0.00 -0.15 0.00 0.00 55.06 53.76 3i1z s HIS 70 Cb 0.00 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.23 3i1z s HIS 70 CO 0.00 -0.43 0.05 0.41 -0.85 0.00 0.00 174.74 173.92 3i1z n GLY 71 N -0.02 -0.50 3.78 -2.22 0.00 -1.26 -4.72 105.19 100.25 3i1z n GLY 71 Ca -0.09 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3i1z n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i1z s PHE 72 N -2.96 3.65 -0.07 1.61 2.19 -1.26 -2.39 117.98 118.76 3i1z s PHE 72 Ca 0.03 1.77 0.03 0.00 0.33 0.00 0.00 56.93 59.08 3i1z s PHE 72 Cb -0.01 -2.97 0.01 0.00 -1.31 0.00 0.00 43.02 38.74 3i1z s PHE 72 CO 0.03 0.08 -0.14 -0.51 1.83 0.00 0.00 175.22 176.51 3i1z s LEU 73 N -2.04 1.71 0.26 6.12 1.43 -0.03 -4.99 118.68 121.14 3i1z s LEU 73 Ca 0.50 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3i1z s LEU 73 Cb -0.20 -0.91 0.33 0.00 0.03 0.00 0.00 46.19 45.45 3i1z s LEU 73 CO 0.26 0.05 1.74 0.03 0.23 0.00 0.00 176.35 178.66 3i1z h ARG 74 N 6.91 0.72 0.15 1.70 2.47 -1.96 0.11 114.38 124.48 3i1z h ARG 74 Ca -0.29 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.21 3i1z h ARG 74 Cb 1.19 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.43 3i1z h ARG 74 CO 0.47 0.79 -0.24 -0.22 0.56 0.00 0.00 179.97 181.34 3i1z h LYS 75 N 0.66 -0.39 0.00 0.04 1.63 -1.97 -3.23 116.57 113.31 3i1z h LYS 75 Ca 0.12 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 3i1z h LYS 75 Cb 0.53 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3i1z h LYS 75 CO 0.03 -0.26 -0.71 1.19 -3.45 0.00 0.00 179.45 176.24 3i1z n PHE 76 N -3.79 0.37 -2.77 1.91 3.01 -1.23 -4.95 117.46 110.02 3i1z n PHE 76 Ca -0.05 0.11 -0.14 0.00 1.01 0.00 0.00 57.45 58.38 3i1z n PHE 76 Cb 0.20 -0.52 0.02 0.00 -0.01 0.00 0.00 39.48 39.18 3i1z n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1z n GLY 77 N 1.38 -0.06 0.00 1.37 0.00 0.39 -4.99 105.19 103.27 3i1z n GLY 77 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i1z n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1z n LEU 78 N -2.67 0.00 -4.16 0.99 4.77 -1.17 -2.63 117.00 112.13 3i1z n LEU 78 Ca -0.06 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.72 3i1z n LEU 78 Cb 0.57 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.54 3i1z n LEU 78 CO 0.30 0.00 -0.46 -0.44 -1.33 0.00 0.00 177.39 175.46 3i1z s SER 79 N 0.37 1.71 0.59 -1.43 0.01 -1.26 -0.85 113.70 112.84 3i1z s SER 79 Ca 0.00 -0.53 0.36 0.00 1.31 0.00 0.00 55.95 57.09 3i1z s SER 79 Cb 0.00 -0.08 1.24 0.00 0.21 0.00 0.00 66.02 67.39 3i1z s SER 79 CO 0.00 -0.01 1.42 0.08 0.41 0.00 0.00 173.24 175.14 3i1z h ARG 80 N 4.64 0.00 0.01 12.44 0.11 -1.76 0.48 114.38 130.29 3i1z h ARG 80 Ca -0.40 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.68 3i1z h ARG 80 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3i1z h ARG 80 CO 0.42 0.00 -0.00 0.82 0.10 0.00 0.00 179.97 181.31 3i1z h ILE 81 N 0.00 0.00 0.00 0.08 2.04 -1.95 -3.12 117.51 114.56 3i1z h ILE 81 Ca 0.65 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3i1z h ILE 81 Cb 3.20 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3i1z h ILE 81 CO -0.01 0.00 -0.07 0.11 0.00 0.00 0.00 178.15 178.19 3i1z h LYS 82 N -0.73 0.00 0.03 2.37 1.79 -1.31 0.90 116.57 119.62 3i1z h LYS 82 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i1z h LYS 82 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3i1z h LYS 82 CO 0.00 0.07 -0.01 0.28 -1.08 0.00 0.00 179.45 178.71 3i1z h VAL 83 N 0.00 0.00 -0.63 0.50 2.07 -0.34 -2.62 116.25 115.23 3i1z h VAL 83 Ca -0.00 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.60 3i1z h VAL 83 Cb 0.53 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.18 3i1z h VAL 83 CO 0.01 0.00 -0.39 -0.09 0.02 0.00 0.00 177.57 177.12 3i1z h ARG 84 N -0.06 -0.17 -0.23 1.57 2.43 -1.55 1.31 114.38 117.68 3i1z h ARG 84 Ca -0.00 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3i1z h ARG 84 Cb 0.03 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 3i1z h ARG 84 CO 0.01 -0.11 -0.46 0.93 -1.51 0.00 0.00 179.97 178.82 3i1z h GLU 85 N -0.17 -0.39 -0.83 0.20 4.39 -0.92 0.34 114.58 117.19 3i1z h GLU 85 Ca 0.22 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3i1z h GLU 85 Cb 0.56 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 3i1z h GLU 85 CO -0.72 -0.26 0.53 0.00 -1.16 0.00 0.00 179.01 177.40 3i1z h ALA 86 N -0.36 1.36 0.00 3.43 0.00 -1.32 -2.80 119.26 119.58 3i1z h ALA 86 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i1z h ALA 86 Cb 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i1z h ALA 86 CO -0.44 0.57 0.04 0.00 0.00 0.00 0.00 179.25 179.43 3i1z n ALA 87 N -2.41 0.97 0.21 0.00 0.00 0.45 -1.14 120.51 118.59 3i1z n ALA 87 Ca 0.09 0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.77 3i1z n ALA 87 Cb 0.04 -1.17 0.16 0.00 0.00 0.00 0.00 19.45 18.49 3i1z n ALA 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i1z n MET 88 N -2.06 2.17 -0.19 0.00 2.00 -0.05 -3.69 117.12 115.31 3i1z n MET 88 Ca -0.01 -1.99 0.06 0.00 0.00 0.00 0.00 57.70 55.75 3i1z n MET 88 Cb 0.07 -1.39 0.16 0.00 0.00 0.00 0.00 33.22 32.06 3i1z n MET 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3i1z n ARG 89 N 1.07 2.88 -3.48 0.03 1.74 -0.29 -4.95 116.66 113.66 3i1z n ARG 89 Ca 0.15 -2.09 -0.24 0.00 -0.77 0.00 0.00 57.85 54.89 3i1z n ARG 89 Cb 0.49 -1.30 0.06 0.00 -1.02 0.00 0.00 32.46 30.70 3i1z n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1z n GLY 90 N 0.46 -0.54 0.00 -0.13 0.00 -1.20 -4.83 105.19 98.95 3i1z n GLY 90 Ca 0.12 0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.50 3i1z n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1z n GLU 91 N -4.71 0.18 -4.17 1.61 -0.58 -0.98 -4.66 120.64 107.33 3i1z n GLU 91 Ca -0.02 0.01 -0.33 0.00 -0.42 0.00 0.00 57.16 56.40 3i1z n GLU 91 Cb 0.57 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 29.78 3i1z n GLU 91 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i1z s ILE 92 N -2.82 2.17 -0.16 -3.67 1.01 -1.26 -4.97 121.20 111.51 3i1z s ILE 92 Ca 0.20 -0.91 -0.37 0.00 0.00 0.00 0.00 60.65 59.57 3i1z s ILE 92 Cb 0.19 -1.91 -0.14 0.00 0.01 0.00 0.00 42.46 40.61 3i1z s ILE 92 CO 0.49 0.53 1.79 -2.65 0.00 0.00 0.00 174.94 175.10 3i1z n PRO 93 N 4.57 1.70 -3.48 2.79 -0.02 -1.26 -2.59 135.00 136.71 3i1z n PRO 93 Ca -0.21 0.62 -0.25 0.00 -2.02 0.00 0.00 63.50 61.64 3i1z n PRO 93 Cb 0.50 -2.39 0.03 0.00 -0.02 0.00 0.00 33.50 31.63 3i1z n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1z n GLY 94 N 4.22 -0.51 3.39 -1.23 0.00 -1.26 -4.96 105.19 104.82 3i1z n GLY 94 Ca 0.24 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 3i1z n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i1z s LEU 95 N -6.96 2.83 0.08 0.99 2.96 -1.07 -5.11 118.68 112.40 3i1z s LEU 95 Ca 0.49 -0.30 -0.17 0.00 -0.22 0.00 0.00 54.13 53.93 3i1z s LEU 95 Cb -0.24 -1.66 0.04 0.00 0.50 0.00 0.00 46.19 44.83 3i1z s LEU 95 CO 0.61 0.15 0.40 -1.59 -1.32 0.00 0.00 176.35 174.60 3i1z s LYS 96 N 0.48 0.99 -0.02 1.98 0.00 -1.26 -4.89 119.74 117.01 3i1z s LYS 96 Ca -0.08 -0.52 -0.33 0.00 0.00 0.00 0.00 55.97 55.04 3i1z s LYS 96 Cb -0.15 0.44 -0.11 0.00 0.00 0.00 0.00 37.83 38.00 3i1z s LYS 96 CO 0.04 -0.36 1.88 1.63 0.00 0.00 0.00 175.35 178.54 3i1z n LYS 97 N 0.17 2.40 -4.49 1.78 5.02 -1.26 -4.96 118.16 116.82 3i1z n LYS 97 Ca -0.17 0.88 -0.25 0.00 -2.02 0.00 0.00 58.31 56.74 3i1z n LYS 97 Cb 0.62 -2.75 -0.13 0.00 -0.02 0.00 0.00 35.03 32.74 3i1z n LYS 97 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1z s ALA 98 N 3.84 1.82 0.06 7.82 0.00 -1.26 -5.14 121.76 128.90 3i1z s ALA 98 Ca 0.90 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.75 3i1z s ALA 98 Cb -0.61 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3i1z s ALA 98 CO 0.47 0.39 -0.16 -1.54 0.00 0.00 0.00 175.76 174.93 3i1z s SER 99 N -1.52 1.89 0.00 0.00 1.04 -1.26 -5.34 113.70 108.51 3i1z s SER 99 Ca 0.07 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3i1z s SER 99 Cb -0.09 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.92 3i1z s SER 99 CO 0.03 0.02 0.00 -2.67 0.98 0.00 0.00 173.24 171.60