#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rct s ARG -2 N 0.00 0.21 0.19 3.17 3.52 -1.26 -5.00 118.95 119.78 2rct s ARG -2 Ca 0.00 0.47 -0.23 0.00 -0.13 0.00 0.00 55.73 55.85 2rct s ARG -2 Cb 0.00 -0.08 -0.08 0.00 -1.56 0.00 0.00 34.95 33.23 2rct s ARG -2 CO 0.00 -0.14 0.75 0.20 -0.81 0.00 0.00 175.30 175.30 2rct s GLY -1 N 1.02 2.77 0.10 8.12 0.00 -1.25 -4.64 107.32 113.44 2rct s GLY -1 Ca -0.07 0.27 0.24 0.00 0.00 0.00 0.00 44.72 45.15 2rct s GLY -1 CO -0.07 0.70 1.32 -1.14 0.00 0.00 0.00 173.10 173.91 2rct n SER 0 N 1.17 0.67 -3.48 1.64 3.41 0.34 -4.64 113.62 112.73 2rct n SER 0 Ca -0.04 0.08 -0.14 0.00 -0.26 0.00 0.00 58.87 58.50 2rct n SER 0 Cb 0.50 0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.61 2rct n SER 0 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2rct s THR 1 N -3.15 0.00 -1.16 6.66 -1.32 -1.26 -5.01 115.64 110.40 2rct s THR 1 Ca 0.06 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.81 2rct s THR 1 Cb 0.14 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.25 2rct s THR 1 CO 0.72 0.00 1.57 0.54 -2.21 0.00 0.00 174.62 175.25 2rct n ARG 2 N 0.27 0.17 -2.57 7.08 1.74 -1.26 -4.48 116.66 117.61 2rct n ARG 2 Ca -0.17 -0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.42 2rct n ARG 2 Cb 0.61 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 2rct n ARG 2 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2rct s ASP 3 N -2.89 6.19 0.00 0.55 2.15 -1.26 -4.83 116.67 116.59 2rct s ASP 3 Ca 0.15 -0.42 0.21 0.00 0.43 0.00 0.00 52.55 52.92 2rct s ASP 3 Cb 0.18 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.70 2rct s ASP 3 CO 0.62 -1.78 1.39 0.00 -0.17 0.00 0.00 175.17 175.23 2rct n GLN 4 N 9.18 2.50 -1.61 4.34 6.02 -1.26 -5.00 117.38 131.55 2rct n GLN 4 Ca 0.03 -2.30 -0.45 0.00 -0.01 0.00 0.00 57.00 54.26 2rct n GLN 4 Cb 0.49 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 2rct n GLN 4 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2rct n ASN 5 N 1.38 1.70 0.00 1.08 4.13 -1.26 -4.67 115.26 117.61 2rct n ASN 5 Ca 0.19 1.17 0.00 0.00 1.68 0.00 0.00 54.58 57.62 2rct n ASN 5 Cb 0.57 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.50 2rct n ASN 5 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rct n GLY 6 N 1.51 0.94 3.35 7.41 0.00 -0.60 -4.55 105.19 113.24 2rct n GLY 6 Ca 0.11 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 2rct n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rct s THR 7 N -1.83 2.75 -0.02 2.61 2.01 0.36 -0.71 115.64 120.80 2rct s THR 7 Ca 0.00 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.23 2rct s THR 7 Cb 0.00 -2.11 0.00 0.00 0.01 0.00 0.00 72.50 70.41 2rct s THR 7 CO 0.00 0.55 -0.08 0.26 -0.69 0.00 0.00 174.62 174.66 2rct s TRP 8 N 0.10 0.82 -0.12 4.92 0.52 0.30 -0.76 118.94 124.72 2rct s TRP 8 Ca -0.08 -0.20 0.00 0.00 0.02 0.00 0.00 56.10 55.85 2rct s TRP 8 Cb -0.15 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.56 2rct s TRP 8 CO 0.05 -0.09 -0.14 -2.00 0.02 0.00 0.00 176.95 174.79 2rct s GLU 9 N 0.24 3.29 0.15 4.98 2.12 0.14 -0.44 118.70 129.18 2rct s GLU 9 Ca -0.03 -0.70 -0.33 0.00 0.36 0.00 0.00 54.97 54.27 2rct s GLU 9 Cb -0.08 -2.59 -0.13 0.00 0.26 0.00 0.00 34.13 31.59 2rct s GLU 9 CO 0.00 0.25 1.67 -0.12 -0.54 0.00 0.00 175.26 176.53 2rct n MET 10 N 3.41 2.41 -0.00 4.30 0.00 0.10 -0.31 117.12 127.03 2rct n MET 10 Ca -0.18 0.87 0.04 0.00 -0.00 0.00 0.00 57.70 58.44 2rct n MET 10 Cb 0.53 -2.68 -0.07 0.00 0.00 0.00 0.00 33.22 30.99 2rct n MET 10 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2rct n GLU 11 N 4.06 0.58 -3.60 2.12 0.28 0.10 -4.79 120.64 119.38 2rct n GLU 11 Ca 0.17 -0.07 -0.14 0.00 -0.16 0.00 0.00 57.16 56.95 2rct n GLU 11 Cb 0.32 -1.19 -0.06 0.00 1.43 0.00 0.00 31.44 31.94 2rct n GLU 11 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2rct s SER 12 N -2.93 -0.43 -0.22 -1.84 1.04 -1.01 -4.98 113.70 103.33 2rct s SER 12 Ca -0.03 0.25 -0.06 0.00 0.48 0.00 0.00 55.95 56.60 2rct s SER 12 Cb 0.06 0.46 0.11 0.00 0.10 0.00 0.00 66.02 66.75 2rct s SER 12 CO 0.37 -0.65 0.44 0.21 0.98 0.00 0.00 173.24 174.59 2rct s ASN 13 N -1.71 -0.26 -0.06 7.02 2.47 -1.26 -1.70 114.94 119.44 2rct s ASN 13 Ca -0.08 0.82 0.03 0.00 0.42 0.00 0.00 52.86 54.06 2rct s ASN 13 Cb -0.01 1.41 0.01 0.00 -1.45 0.00 0.00 41.25 41.20 2rct s ASN 13 CO 0.02 -0.25 -0.15 -1.61 -3.72 0.00 0.00 177.10 171.39 2rct s GLU 14 N 2.63 1.87 -1.69 0.43 0.41 0.02 -4.72 118.70 117.65 2rct s GLU 14 Ca 0.03 -0.52 -0.01 0.00 -0.41 0.00 0.00 54.97 54.06 2rct s GLU 14 Cb -0.13 -1.54 0.00 0.00 -1.78 0.00 0.00 34.13 30.68 2rct s GLU 14 CO -0.15 0.10 0.15 -1.71 -0.49 0.00 0.00 175.26 173.17 2rct n ASN 15 N 3.59 -5.86 -0.05 -0.19 5.15 -1.26 -1.47 115.26 115.17 2rct n ASN 15 Ca -0.21 -0.08 0.01 0.00 -0.60 0.00 0.00 54.58 53.69 2rct n ASN 15 Cb 0.52 -4.82 0.31 0.00 -0.53 0.00 0.00 39.78 35.26 2rct n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2rct h PHE 16 N -0.34 0.63 -0.22 1.20 3.57 -1.89 -2.42 116.94 117.48 2rct h PHE 16 Ca -0.49 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.00 2rct h PHE 16 Cb 1.36 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2rct h PHE 16 CO 0.53 0.50 0.10 1.49 -2.23 0.00 0.00 178.31 178.71 2rct h GLU 17 N 0.63 0.21 -0.46 1.11 4.57 -1.91 0.50 114.58 119.23 2rct h GLU 17 Ca 0.15 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2rct h GLU 17 Cb 0.14 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2rct h GLU 17 CO -0.01 0.14 0.27 0.78 -1.18 0.00 0.00 179.01 179.00 2rct h GLY 18 N 0.21 0.67 0.98 1.92 0.00 -1.89 0.45 103.07 105.41 2rct h GLY 18 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2rct h GLY 18 CO -0.07 0.27 0.05 -1.82 0.00 0.00 0.00 176.54 174.97 2rct h TYR 19 N 0.60 0.10 -0.75 5.60 3.20 -1.22 -0.67 116.97 123.83 2rct h TYR 19 Ca 0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2rct h TYR 19 Cb 0.01 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 2rct h TYR 19 CO -0.03 0.08 0.48 0.52 -1.64 0.00 0.00 178.16 177.57 2rct h MET 20 N 0.09 1.01 -0.94 1.82 2.86 -0.64 -2.28 114.93 116.85 2rct h MET 20 Ca 0.03 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2rct h MET 20 Cb 0.01 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.40 2rct h MET 20 CO -0.01 0.69 0.62 0.87 1.06 0.00 0.00 176.91 180.14 2rct h LYS 21 N 1.02 1.22 0.00 1.72 1.57 -0.70 -1.65 116.57 119.76 2rct h LYS 21 Ca 0.27 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2rct h LYS 21 Cb -0.08 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 31.95 2rct h LYS 21 CO -0.06 0.81 -0.13 0.00 -0.57 0.00 0.00 179.45 179.50 2rct h ALA 22 N 1.35 1.63 -0.01 3.86 0.00 -0.59 -1.14 119.26 124.36 2rct h ALA 22 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2rct h ALA 22 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2rct h ALA 22 CO -0.08 0.16 -0.01 1.28 0.00 0.00 0.00 179.25 180.60 2rct n LEU 23 N -4.15 0.68 -1.36 0.00 4.77 -0.79 -4.90 117.00 111.25 2rct n LEU 23 Ca -0.02 -0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 55.59 2rct n LEU 23 Cb 0.21 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 2rct n LEU 23 CO 0.34 0.11 -0.16 0.47 -1.33 0.00 0.00 177.39 176.82 2rct n ASP 24 N -0.49 -4.71 -4.74 -1.43 8.00 -0.43 -4.81 116.55 107.94 2rct n ASP 24 Ca 0.21 0.23 -0.42 0.00 0.71 0.00 0.00 54.79 55.53 2rct n ASP 24 Cb 0.23 -3.65 -0.02 0.00 -0.02 0.00 0.00 41.12 37.65 2rct n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2rct s ILE 25 N -2.63 2.68 0.69 0.53 1.01 -0.69 -4.95 121.20 117.84 2rct s ILE 25 Ca 0.00 0.55 -0.15 0.00 0.00 0.00 0.00 60.65 61.05 2rct s ILE 25 Cb 0.00 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 39.14 2rct s ILE 25 CO 0.00 0.08 1.16 1.51 0.00 0.00 0.00 174.94 177.68 2rct s ASP 26 N 0.56 4.69 0.19 3.58 -4.77 -1.26 -4.62 116.67 115.04 2rct s ASP 26 Ca 0.62 2.18 -0.14 0.00 -3.30 0.00 0.00 52.55 51.90 2rct s ASP 26 Cb -0.42 -2.57 0.18 0.00 -1.09 0.00 0.00 42.92 39.02 2rct s ASP 26 CO 0.40 -1.92 1.65 0.15 0.70 0.00 0.00 175.17 176.15 2rct h PHE 27 N -0.08 -0.21 -0.51 2.11 3.57 -1.99 -1.11 116.94 118.71 2rct h PHE 27 Ca -0.47 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 2rct h PHE 27 Cb 1.27 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 2rct h PHE 27 CO 0.51 -0.20 0.30 0.00 -2.23 0.00 0.00 178.31 176.68 2rct h ALA 28 N 1.51 0.65 -0.37 2.41 0.00 -1.99 -0.42 119.26 121.05 2rct h ALA 28 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2rct h ALA 28 Cb 0.40 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2rct h ALA 28 CO -0.52 0.15 0.21 1.15 0.00 0.00 0.00 179.25 180.24 2rct h THR 29 N 0.68 1.14 -0.59 0.00 2.02 -1.82 -2.15 112.91 112.19 2rct h THR 29 Ca 0.18 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2rct h THR 29 Cb 0.01 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2rct h THR 29 CO -0.03 0.14 0.35 0.03 0.37 0.00 0.00 175.52 176.38 2rct h ARG 30 N 0.48 0.65 -0.49 6.66 3.08 -0.79 -0.93 114.38 123.04 2rct h ARG 30 Ca 0.13 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 2rct h ARG 30 Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2rct h ARG 30 CO -0.02 0.43 0.01 0.87 -1.07 0.00 0.00 179.97 180.19 2rct h LYS 31 N 0.67 0.81 -0.17 0.04 1.79 -0.90 -0.02 116.57 118.79 2rct h LYS 31 Ca 0.24 -0.22 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 2rct h LYS 31 Cb 0.06 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2rct h LYS 31 CO -0.12 0.81 -0.06 0.82 -1.08 0.00 0.00 179.45 179.81 2rct h ILE 32 N 0.75 1.30 0.00 1.86 2.04 -1.06 -3.36 117.51 119.05 2rct h ILE 32 Ca 0.15 -1.08 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 2rct h ILE 32 Cb 0.45 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2rct h ILE 32 CO 0.02 0.32 -0.87 0.00 0.00 0.00 0.00 178.15 177.62 2rct h ALA 33 N 0.70 0.65 -0.86 1.87 0.00 -0.91 -3.41 119.26 117.30 2rct h ALA 33 Ca 0.04 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.46 2rct h ALA 33 Cb 0.52 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 2rct h ALA 33 CO 0.02 0.72 0.50 -0.24 0.00 0.00 0.00 179.25 180.26 2rct h VAL 34 N 0.00 0.91 -0.09 0.00 3.04 -1.15 -2.66 116.25 116.30 2rct h VAL 34 Ca -0.06 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 2rct h VAL 34 Cb 1.45 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 2rct h VAL 34 CO 0.06 0.15 -0.04 0.54 -1.01 0.00 0.00 177.57 177.27 2rct n ARG 35 N -4.72 1.80 -2.86 4.17 1.74 -1.26 -4.92 116.66 110.61 2rct n ARG 35 Ca 0.15 -2.73 -0.41 0.00 -0.77 0.00 0.00 57.85 54.08 2rct n ARG 35 Cb 0.30 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 30.08 2rct n ARG 35 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2rct s LEU 36 N -2.91 4.31 0.15 0.55 1.43 -1.00 -5.01 118.68 116.19 2rct s LEU 36 Ca 0.36 1.39 -0.31 0.00 -1.03 0.00 0.00 54.13 54.54 2rct s LEU 36 Cb 0.31 -3.33 -0.10 0.00 0.03 0.00 0.00 46.19 43.10 2rct s LEU 36 CO 0.04 -0.25 1.66 -0.89 0.23 0.00 0.00 176.35 177.14 2rct s THR 37 N 1.22 2.57 0.10 5.49 2.01 -1.26 -5.00 115.64 120.76 2rct s THR 37 Ca 0.44 0.31 -0.01 0.00 0.31 0.00 0.00 61.69 62.74 2rct s THR 37 Cb -0.19 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2rct s THR 37 CO 0.21 0.02 0.26 -1.10 -0.69 0.00 0.00 174.62 173.32 2rct s GLN 38 N 1.69 3.48 -0.02 4.92 -0.21 -1.26 -4.61 119.66 123.65 2rct s GLN 38 Ca 0.73 -0.39 0.07 0.00 0.02 0.00 0.00 55.36 55.80 2rct s GLN 38 Cb -0.44 -2.98 -0.02 0.00 1.00 0.00 0.00 33.01 30.56 2rct s GLN 38 CO 0.32 0.56 -0.24 0.99 -2.12 0.00 0.00 175.29 174.79 2rct s THR 39 N -1.60 2.19 -0.12 -0.19 2.01 -0.16 -0.72 115.64 117.05 2rct s THR 39 Ca 0.36 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.32 2rct s THR 39 Cb -0.12 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.61 2rct s THR 39 CO 0.28 0.57 -0.22 -0.75 -0.69 0.00 0.00 174.62 173.80 2rct s LYS 40 N -0.66 3.07 -0.19 4.92 2.20 0.42 -0.12 119.74 129.38 2rct s LYS 40 Ca 0.10 -0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 54.84 2rct s LYS 40 Cb -0.10 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 2rct s LYS 40 CO -0.01 0.11 -0.09 0.08 -0.36 0.00 0.00 175.35 175.08 2rct s VAL 41 N 0.53 3.10 -0.16 4.02 1.01 0.19 -0.54 120.40 128.54 2rct s VAL 41 Ca -0.14 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2rct s VAL 41 Cb -0.17 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.86 2rct s VAL 41 CO 0.05 0.47 -0.19 -0.63 0.00 0.00 0.00 175.10 174.80 2rct s ILE 42 N 1.10 2.26 -0.29 2.22 1.01 0.11 -1.14 121.20 126.45 2rct s ILE 42 Ca 0.01 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 2rct s ILE 42 Cb -0.15 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.45 2rct s ILE 42 CO -0.02 0.53 -0.02 -0.62 0.00 0.00 0.00 174.94 174.81 2rct s ASP 43 N 1.04 4.77 -0.09 3.58 3.68 -0.04 -1.56 116.67 128.04 2rct s ASP 43 Ca -0.01 -1.38 0.02 0.00 2.13 0.00 0.00 52.55 53.30 2rct s ASP 43 Cb -0.14 -1.66 0.02 0.00 -1.45 0.00 0.00 42.92 39.68 2rct s ASP 43 CO -0.06 -0.26 -0.13 -1.58 0.13 0.00 0.00 175.17 173.28 2rct s GLN 44 N 1.19 1.87 -0.30 4.34 0.74 -1.26 -0.47 119.66 125.76 2rct s GLN 44 Ca -0.05 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 54.93 2rct s GLN 44 Cb -0.20 -1.61 0.09 0.00 1.10 0.00 0.00 33.01 32.39 2rct s GLN 44 CO -0.03 -0.05 0.05 0.34 -0.55 0.00 0.00 175.29 175.05 2rct s ASP 45 N 0.94 4.21 1.98 6.67 2.15 0.03 -4.89 116.67 127.77 2rct s ASP 45 Ca -0.09 -1.69 0.00 0.00 0.43 0.00 0.00 52.55 51.20 2rct s ASP 45 Cb -0.15 -1.19 0.00 0.00 -0.30 0.00 0.00 42.92 41.28 2rct s ASP 45 CO 0.00 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 2rct n GLY 46 N 4.61 3.04 0.29 2.66 0.00 -1.26 -1.29 105.19 113.24 2rct n GLY 46 Ca -0.02 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.38 2rct n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rct n ASP 47 N 10.29 1.12 -4.59 1.61 10.43 -1.26 -4.86 116.55 129.28 2rct n ASP 47 Ca 0.00 -1.00 -0.39 0.00 2.57 0.00 0.00 54.79 55.96 2rct n ASP 47 Cb 0.00 0.11 -0.09 0.00 1.84 0.00 0.00 41.12 42.98 2rct n ASP 47 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2rct s ASN 48 N -2.41 6.22 -0.06 -2.24 -0.87 -0.42 -0.47 114.94 114.70 2rct s ASN 48 Ca 0.27 0.15 0.04 0.00 -1.57 0.00 0.00 52.86 51.75 2rct s ASN 48 Cb 0.20 -2.20 -0.02 0.00 -0.02 0.00 0.00 41.25 39.20 2rct s ASN 48 CO 0.48 -0.22 -0.19 -0.36 -2.57 0.00 0.00 177.10 174.25 2rct s PHE 49 N 2.05 2.59 -0.15 2.20 0.40 0.20 -0.79 117.98 124.48 2rct s PHE 49 Ca 0.14 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 2rct s PHE 49 Cb -0.16 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.76 2rct s PHE 49 CO 0.11 -0.03 -0.14 0.15 0.70 0.00 0.00 175.22 176.00 2rct s LYS 50 N -0.36 2.25 0.04 0.44 3.01 0.37 -1.36 119.74 124.14 2rct s LYS 50 Ca 0.03 -0.54 0.07 0.00 -1.01 0.00 0.00 55.97 54.52 2rct s LYS 50 Cb -0.12 -2.08 -0.02 0.00 -1.01 0.00 0.00 37.83 34.59 2rct s LYS 50 CO 0.02 -0.24 -0.20 0.95 0.51 0.00 0.00 175.35 176.39 2rct s THR 51 N 1.50 1.58 -0.05 2.17 -4.23 -0.65 -0.87 115.64 115.11 2rct s THR 51 Ca 0.05 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 2rct s THR 51 Cb -0.13 -1.38 0.02 0.00 1.34 0.00 0.00 72.50 72.35 2rct s THR 51 CO -0.11 0.18 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.54 2rct s LYS 52 N -1.15 1.09 -0.19 3.99 1.02 -0.30 -1.95 119.74 122.26 2rct s LYS 52 Ca 0.07 -0.23 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 2rct s LYS 52 Cb -0.09 -1.00 0.01 0.00 -0.52 0.00 0.00 37.83 36.23 2rct s LYS 52 CO 0.02 -0.01 -0.14 0.99 -0.92 0.00 0.00 175.35 175.29 2rct s THR 53 N 0.68 2.58 0.15 2.17 2.01 0.00 -0.64 115.64 122.61 2rct s THR 53 Ca -0.11 -0.77 0.10 0.00 0.31 0.00 0.00 61.69 61.22 2rct s THR 53 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 2rct s THR 53 CO 0.01 0.50 -0.22 0.42 -0.69 0.00 0.00 174.62 174.64 2rct s THR 54 N 1.32 2.00 0.32 -0.82 -4.23 0.84 -0.35 115.64 114.71 2rct s THR 54 Ca 0.04 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.57 2rct s THR 54 Cb -0.14 -1.88 0.02 0.00 1.34 0.00 0.00 72.50 71.85 2rct s THR 54 CO -0.08 -0.15 0.65 -0.94 -0.54 0.00 0.00 174.62 173.55 2rct s SER 55 N -2.42 0.10 0.00 3.99 1.04 -1.15 -0.99 113.70 114.27 2rct s SER 55 Ca 0.15 -1.04 0.24 0.00 0.48 0.00 0.00 55.95 55.77 2rct s SER 55 Cb -0.08 0.73 1.42 0.00 0.10 0.00 0.00 66.02 68.20 2rct s SER 55 CO 0.07 -1.42 1.92 0.35 0.98 0.00 0.00 173.24 175.13 2rct n THR 56 N -0.49 0.00 0.00 2.02 -2.24 -1.26 -4.15 114.28 108.16 2rct n THR 56 Ca -0.04 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2rct n THR 56 Cb 0.60 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2rct n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2rct n PHE 57 N -0.85 0.00 -4.26 4.78 7.35 -1.26 -5.10 117.46 118.13 2rct n PHE 57 Ca 0.18 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.67 2rct n PHE 57 Cb 0.09 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.81 2rct n PHE 57 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2rct s ARG 58 N -0.50 1.07 0.25 -4.13 0.52 -1.26 -5.15 118.95 109.75 2rct s ARG 58 Ca 0.00 -1.23 0.08 0.00 -0.52 0.00 0.00 55.73 54.07 2rct s ARG 58 Cb 0.00 -1.08 -0.04 0.00 0.52 0.00 0.00 34.95 34.35 2rct s ARG 58 CO 0.00 0.22 0.06 -0.80 0.02 0.00 0.00 175.30 174.80 2rct s ASN 59 N -2.31 4.88 -0.06 0.23 0.02 -1.26 -2.95 114.94 113.49 2rct s ASN 59 Ca 0.09 -0.48 -0.02 0.00 -1.02 0.00 0.00 52.86 51.42 2rct s ASN 59 Cb -0.07 -1.04 0.04 0.00 0.02 0.00 0.00 41.25 40.20 2rct s ASN 59 CO 0.04 0.00 0.10 -0.47 0.02 0.00 0.00 177.10 176.80 2rct s TYR 60 N -2.17 -0.05 -0.11 2.20 5.04 0.52 -4.99 117.35 117.80 2rct s TYR 60 Ca 0.31 0.40 -0.02 0.00 -2.44 0.00 0.00 57.07 55.32 2rct s TYR 60 Cb -0.07 -0.35 -0.03 0.00 0.35 0.00 0.00 41.96 41.85 2rct s TYR 60 CO 0.21 -0.21 -0.01 -0.51 -1.34 0.00 0.00 175.55 173.69 2rct s ASP 61 N 2.08 5.13 -0.09 4.32 1.01 -1.26 -0.82 116.67 127.05 2rct s ASP 61 Ca 0.02 0.07 -0.04 0.00 0.71 0.00 0.00 52.55 53.32 2rct s ASP 61 Cb -0.12 -1.54 0.04 0.00 1.01 0.00 0.00 42.92 42.31 2rct s ASP 61 CO -0.04 0.32 0.20 0.54 0.21 0.00 0.00 175.17 176.39 2rct s VAL 62 N -0.54 -0.05 0.04 -1.27 0.11 -0.82 -5.02 120.40 112.85 2rct s VAL 62 Ca 0.09 0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.37 2rct s VAL 62 Cb -0.12 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2rct s VAL 62 CO 0.02 0.07 -0.15 -1.81 -3.33 0.00 0.00 175.10 169.90 2rct s ASP 63 N 1.23 4.02 0.13 3.54 1.01 -1.26 -1.63 116.67 123.71 2rct s ASP 63 Ca -0.09 -0.36 -0.24 0.00 0.71 0.00 0.00 52.55 52.56 2rct s ASP 63 Cb -0.11 -0.73 0.07 0.00 1.01 0.00 0.00 42.92 43.16 2rct s ASP 63 CO -0.07 0.26 0.70 0.72 0.21 0.00 0.00 175.17 176.98 2rct s PHE 64 N -0.96 -0.45 -0.15 4.23 -0.12 -0.46 -5.02 117.98 115.05 2rct s PHE 64 Ca 0.16 0.24 -0.01 0.00 -0.05 0.00 0.00 56.93 57.26 2rct s PHE 64 Cb -0.11 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 2rct s PHE 64 CO 0.06 -0.80 -0.10 0.99 -0.05 0.00 0.00 175.22 175.32 2rct s THR 65 N -3.59 3.27 0.20 -4.49 2.01 -1.26 -0.63 115.64 111.15 2rct s THR 65 Ca 0.03 -0.58 -0.33 0.00 0.31 0.00 0.00 61.69 61.13 2rct s THR 65 Cb -0.01 -2.40 -0.14 0.00 0.01 0.00 0.00 72.50 69.96 2rct s THR 65 CO -0.10 0.51 1.52 0.52 -0.69 0.00 0.00 174.62 176.38 2rct n VAL 66 N 3.68 0.40 0.00 3.82 0.31 0.38 -1.91 118.33 125.01 2rct n VAL 66 Ca -0.18 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2rct n VAL 66 Cb 0.52 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 2rct n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rct n GLY 67 N 2.89 2.99 3.35 2.92 0.00 0.13 -5.00 105.19 112.47 2rct n GLY 67 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2rct n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rct s VAL 68 N -2.64 3.98 0.40 1.61 1.01 -0.80 -4.94 120.40 119.03 2rct s VAL 68 Ca 0.00 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 2rct s VAL 68 Cb 0.00 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.22 2rct s VAL 68 CO 0.00 0.07 1.45 -0.62 0.00 0.00 0.00 175.10 176.00 2rct n GLU 69 N 4.87 2.46 -3.95 2.72 4.71 -1.26 -4.63 120.64 125.55 2rct n GLU 69 Ca -0.14 0.87 -0.08 0.00 -0.01 0.00 0.00 57.16 57.79 2rct n GLU 69 Cb 0.48 -2.62 -0.08 0.00 -1.01 0.00 0.00 31.44 28.21 2rct n GLU 69 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 2rct s PHE 70 N -1.15 0.30 -0.62 -0.32 -0.71 -0.26 -4.97 117.98 110.25 2rct s PHE 70 Ca 0.56 -0.77 -0.25 0.00 -1.04 0.00 0.00 56.93 55.43 2rct s PHE 70 Cb -0.47 -0.19 0.04 0.00 -1.21 0.00 0.00 43.02 41.19 2rct s PHE 70 CO 0.61 -0.47 1.08 0.34 -1.34 0.00 0.00 175.22 175.44 2rct s ASP 71 N -2.86 6.29 -0.42 1.98 -1.08 -1.26 -0.90 116.67 118.42 2rct s ASP 71 Ca 0.05 -0.40 -0.19 0.00 -0.52 0.00 0.00 52.55 51.50 2rct s ASP 71 Cb 0.06 -2.49 0.02 0.00 -1.46 0.00 0.00 42.92 39.05 2rct s ASP 71 CO -0.10 -1.47 0.55 -0.70 0.52 0.00 0.00 175.17 173.96 2rct s GLU 72 N 4.62 3.28 -0.44 4.34 2.12 -0.22 -4.96 118.70 127.44 2rct s GLU 72 Ca 0.33 -0.47 -0.18 0.00 0.36 0.00 0.00 54.97 55.01 2rct s GLU 72 Cb -0.11 -3.93 0.03 0.00 0.26 0.00 0.00 34.13 30.38 2rct s GLU 72 CO 0.18 -0.88 0.50 -0.47 -0.54 0.00 0.00 175.26 174.05 2rct s TYR 73 N 2.50 3.13 -0.66 5.30 5.04 -1.26 -1.30 117.35 130.10 2rct s TYR 73 Ca 0.18 -0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 54.35 2rct s TYR 73 Cb -0.15 -3.11 -0.13 0.00 0.35 0.00 0.00 41.96 38.92 2rct s TYR 73 CO 0.16 -0.80 3.18 0.25 -1.34 0.00 0.00 175.55 177.00 2rct n THR 74 N 5.52 3.65 -1.79 4.34 -2.24 0.07 -4.93 114.28 118.90 2rct n THR 74 Ca -0.07 -2.33 -0.41 0.00 -2.27 0.00 0.00 64.05 58.98 2rct n THR 74 Cb 0.47 -2.12 0.01 0.00 -2.10 0.00 0.00 70.33 66.59 2rct n THR 74 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2rct s LYS 75 N 0.68 3.97 0.00 -0.78 -2.85 -1.26 -1.28 119.74 118.21 2rct s LYS 75 Ca 0.65 2.54 0.00 0.00 -1.00 0.00 0.00 55.97 58.16 2rct s LYS 75 Cb 0.28 -2.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 2rct s LYS 75 CO -0.06 -0.64 0.00 -1.13 0.10 0.00 0.00 175.35 173.62 2rct n SER 76 N 0.24 0.00 0.00 0.03 3.41 -1.26 -4.86 113.62 111.18 2rct n SER 76 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2rct n SER 76 Cb 0.40 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2rct n SER 76 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2rct n LEU 77 N 0.00 0.00 -0.65 1.04 4.77 -0.58 -4.97 117.00 116.62 2rct n LEU 77 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2rct n LEU 77 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2rct n LEU 77 CO 0.00 0.00 0.51 -0.90 -1.33 0.00 0.00 177.39 175.67 2rct n ASP 78 N 0.00 2.37 -3.61 -1.43 5.75 -1.12 -4.89 116.55 113.62 2rct n ASP 78 Ca 0.00 -1.68 -0.22 0.00 -0.01 0.00 0.00 54.79 52.88 2rct n ASP 78 Cb 0.00 -0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.14 2rct n ASP 78 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2rct n ASN 79 N 0.90 -3.43 -4.69 -1.12 3.02 -0.40 -5.01 115.26 104.52 2rct n ASN 79 Ca 0.10 -0.67 -0.26 0.00 -0.03 0.00 0.00 54.58 53.72 2rct n ASN 79 Cb 0.40 -4.68 -0.09 0.00 -0.61 0.00 0.00 39.78 34.80 2rct n ASN 79 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2rct s ARG 80 N -5.94 2.12 -0.17 3.52 0.52 -1.26 -4.86 118.95 112.87 2rct s ARG 80 Ca 0.26 -1.92 -0.07 0.00 -0.52 0.00 0.00 55.73 53.48 2rct s ARG 80 Cb -0.12 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 2rct s ARG 80 CO 0.76 -0.06 0.08 -1.01 0.02 0.00 0.00 175.30 175.08 2rct s HIS 81 N -2.62 3.30 0.06 -0.53 3.76 -1.26 -0.75 115.29 117.24 2rct s HIS 81 Ca 0.38 0.16 0.06 0.00 -0.15 0.00 0.00 55.06 55.52 2rct s HIS 81 Cb 0.05 -2.06 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 2rct s HIS 81 CO 0.21 0.25 -0.17 0.14 -0.85 0.00 0.00 174.74 174.32 2rct s VAL 82 N 0.15 1.39 -0.61 -0.90 -7.23 -0.42 -4.71 120.40 108.07 2rct s VAL 82 Ca 0.06 -1.19 -0.24 0.00 -1.81 0.00 0.00 61.98 58.79 2rct s VAL 82 Cb -0.12 -1.25 0.05 0.00 0.56 0.00 0.00 36.38 35.62 2rct s VAL 82 CO 0.00 0.03 0.98 -0.75 -0.31 0.00 0.00 175.10 175.05 2rct s LYS 83 N -1.36 3.23 -0.10 4.82 2.20 0.54 -1.06 119.74 128.02 2rct s LYS 83 Ca 0.04 -0.49 -0.12 0.00 -0.36 0.00 0.00 55.97 55.04 2rct s LYS 83 Cb -0.09 -4.13 -0.05 0.00 -1.51 0.00 0.00 37.83 32.05 2rct s LYS 83 CO 0.02 -1.68 0.28 0.00 -0.36 0.00 0.00 175.35 173.62 2rct s ALA 84 N 4.16 3.71 -0.07 3.13 0.00 -0.08 -0.97 121.76 131.64 2rct s ALA 84 Ca 0.27 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 2rct s ALA 84 Cb -0.14 -2.27 0.03 0.00 0.00 0.00 0.00 23.12 20.74 2rct s ALA 84 CO 0.15 0.37 -0.03 -1.17 0.00 0.00 0.00 175.76 175.09 2rct s LEU 85 N -0.47 0.92 -0.17 0.00 2.96 -0.41 -1.10 118.68 120.41 2rct s LEU 85 Ca 0.18 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.91 2rct s LEU 85 Cb -0.14 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 2rct s LEU 85 CO 0.07 -0.14 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.26 2rct s VAL 86 N 1.59 4.02 0.14 1.68 1.01 -1.26 -1.34 120.40 126.25 2rct s VAL 86 Ca -0.00 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2rct s VAL 86 Cb -0.13 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2rct s VAL 86 CO -0.04 0.47 -0.09 0.42 0.00 0.00 0.00 175.10 175.86 2rct s THR 87 N 0.58 1.05 -0.08 3.92 -4.23 0.56 0.20 115.64 117.63 2rct s THR 87 Ca -0.01 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.28 2rct s THR 87 Cb -0.14 -1.84 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 2rct s THR 87 CO 0.02 -0.75 0.52 0.26 -0.54 0.00 0.00 174.62 174.13 2rct s TRP 88 N -3.41 3.58 -0.37 3.99 0.52 -1.26 -0.26 118.94 121.73 2rct s TRP 88 Ca 0.16 1.00 -0.01 0.00 0.02 0.00 0.00 56.10 57.27 2rct s TRP 88 Cb 0.03 -2.56 0.09 0.00 -1.15 0.00 0.00 33.47 29.88 2rct s TRP 88 CO -0.00 0.25 0.12 -1.21 0.02 0.00 0.00 176.95 176.12 2rct s GLU 89 N 0.30 2.01 7.49 4.98 2.02 0.16 -4.96 118.70 130.71 2rct s GLU 89 Ca 0.28 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.58 2rct s GLU 89 Cb -0.16 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.67 2rct s GLU 89 CO 0.13 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 174.89 2rct n GLY 90 N 4.53 4.14 1.33 -1.39 0.00 -1.26 -1.20 105.19 111.34 2rct n GLY 90 Ca -0.04 0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 2rct n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rct n ASP 91 N 7.86 2.87 -4.44 1.61 9.92 -1.26 -4.93 116.55 128.18 2rct n ASP 91 Ca 0.00 -3.67 -0.34 0.00 -0.53 0.00 0.00 54.79 50.25 2rct n ASP 91 Cb 0.00 -0.66 -0.13 0.00 -0.64 0.00 0.00 41.12 39.69 2rct n ASP 91 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2rct s VAL 92 N -3.21 3.72 -0.28 2.53 1.01 -0.34 -3.92 120.40 119.90 2rct s VAL 92 Ca 0.47 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2rct s VAL 92 Cb 0.41 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2rct s VAL 92 CO 0.03 0.47 0.83 -0.22 0.00 0.00 0.00 175.10 176.21 2rct s LEU 93 N 0.64 4.07 -0.17 3.92 2.96 0.28 -0.66 118.68 129.71 2rct s LEU 93 Ca -0.03 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 2rct s LEU 93 Cb -0.15 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.38 2rct s LEU 93 CO 0.02 -0.60 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.60 2rct s VAL 94 N 2.98 2.54 -0.12 1.68 1.01 0.64 -0.36 120.40 128.77 2rct s VAL 94 Ca 0.35 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2rct s VAL 94 Cb -0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2rct s VAL 94 CO 0.11 0.51 -0.12 0.00 0.00 0.00 0.00 175.10 175.60 2rct s VAL 96 N 0.12 3.50 -0.60 0.00 -7.23 -0.45 -1.32 120.40 114.42 2rct s VAL 96 Ca -0.06 -0.48 -0.04 0.00 -1.81 0.00 0.00 61.98 59.58 2rct s VAL 96 Cb -0.15 -2.53 0.16 0.00 0.56 0.00 0.00 36.38 34.42 2rct s VAL 96 CO 0.04 0.48 0.43 -1.10 -0.31 0.00 0.00 175.10 174.64 2rct s GLN 97 N 0.67 2.57 0.09 4.82 -0.21 0.25 -1.29 119.66 126.56 2rct s GLN 97 Ca -0.04 -2.35 -0.30 0.00 0.02 0.00 0.00 55.36 52.69 2rct s GLN 97 Cb -0.15 -3.79 -0.05 0.00 1.00 0.00 0.00 33.01 30.02 2rct s GLN 97 CO 0.02 -1.17 1.01 0.15 -2.12 0.00 0.00 175.29 173.18 2rct s LYS 98 N 0.26 4.62 0.00 2.91 -0.14 -0.15 -4.47 119.74 122.78 2rct s LYS 98 Ca 0.15 1.51 0.00 0.00 -1.36 0.00 0.00 55.97 56.27 2rct s LYS 98 Cb -0.20 -3.38 0.00 0.00 -1.68 0.00 0.00 37.83 32.57 2rct s LYS 98 CO -0.04 0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.04 2rct n GLY 99 N 2.49 -0.69 0.13 -3.33 0.00 -1.26 -0.34 105.19 102.18 2rct n GLY 99 Ca 0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2rct n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2rct h GLU 100 N 0.00 0.34 -6.70 1.61 4.22 -1.91 -3.43 114.58 108.71 2rct h GLU 100 Ca 0.00 -0.03 -0.51 0.00 0.08 0.00 0.00 59.36 58.90 2rct h GLU 100 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2rct h GLU 100 CO 0.00 0.28 0.44 0.15 -2.18 0.00 0.00 179.01 177.69 2rct s LYS 101 N -5.97 4.67 0.45 1.92 -0.14 -1.26 -5.03 119.74 114.38 2rct s LYS 101 Ca -0.13 1.66 -0.21 0.00 -1.36 0.00 0.00 55.97 55.93 2rct s LYS 101 Cb 0.09 -3.27 -0.10 0.00 -1.68 0.00 0.00 37.83 32.87 2rct s LYS 101 CO 0.70 0.22 0.99 -1.21 -0.76 0.00 0.00 175.35 175.29 2rct s GLU 102 N -0.75 4.08 -1.69 1.68 0.41 -1.26 -4.20 118.70 116.96 2rct s GLU 102 Ca 0.46 1.24 -0.02 0.00 -0.41 0.00 0.00 54.97 56.24 2rct s GLU 102 Cb -0.29 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 2rct s GLU 102 CO 0.35 -0.18 0.25 0.09 -0.49 0.00 0.00 175.26 175.29 2rct n ASN 103 N -0.69 -5.99 -4.69 -0.19 3.02 -1.26 -0.19 115.26 105.27 2rct n ASN 103 Ca 0.08 -0.13 -0.38 0.00 -0.03 0.00 0.00 54.58 54.12 2rct n ASN 103 Cb 0.53 -4.92 -0.07 0.00 -0.61 0.00 0.00 39.78 34.71 2rct n ASN 103 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2rct s ARG 104 N -5.32 4.25 0.00 3.52 3.52 -1.26 -3.31 118.95 120.35 2rct s ARG 104 Ca 0.13 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 2rct s ARG 104 Cb -0.06 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 2rct s ARG 104 CO 0.16 0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.09 2rct n GLY 105 N 3.60 -0.77 3.44 8.12 0.00 -0.74 -0.58 105.19 118.26 2rct n GLY 105 Ca -0.07 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 2rct n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2rct s TRP 106 N -3.00 -0.51 -0.03 1.61 1.48 -0.43 -0.99 118.94 117.07 2rct s TRP 106 Ca 0.00 0.30 0.02 0.00 -1.06 0.00 0.00 56.10 55.36 2rct s TRP 106 Cb 0.00 0.56 0.01 0.00 -1.16 0.00 0.00 33.47 32.88 2rct s TRP 106 CO 0.00 -0.82 -0.06 0.15 -4.06 0.00 0.00 176.95 172.16 2rct s LYS 107 N -3.67 0.74 -0.03 3.25 1.02 0.14 -0.08 119.74 121.11 2rct s LYS 107 Ca 0.02 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 55.83 2rct s LYS 107 Cb -0.01 -0.73 0.02 0.00 -0.52 0.00 0.00 37.83 36.59 2rct s LYS 107 CO -0.12 0.04 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.18 2rct s GLN 108 N 0.39 0.51 0.07 1.68 0.74 0.51 -0.64 119.66 122.91 2rct s GLN 108 Ca -0.05 -0.03 -0.20 0.00 0.05 0.00 0.00 55.36 55.14 2rct s GLN 108 Cb -0.09 -0.60 0.04 0.00 1.10 0.00 0.00 33.01 33.47 2rct s GLN 108 CO 0.00 -0.08 0.46 1.67 -0.55 0.00 0.00 175.29 176.80 2rct s TRP 109 N 0.81 -0.33 -0.15 1.67 -2.14 -0.33 -0.56 118.94 117.91 2rct s TRP 109 Ca -0.09 0.25 -0.11 0.00 2.66 0.00 0.00 56.10 58.81 2rct s TRP 109 Cb -0.12 0.30 -0.05 0.00 -3.10 0.00 0.00 33.47 30.50 2rct s TRP 109 CO -0.01 -0.65 0.20 0.42 -2.66 0.00 0.00 176.95 174.26 2rct s ILE 110 N -2.85 5.37 -0.23 0.66 -1.09 -1.26 -0.04 121.20 121.77 2rct s ILE 110 Ca -0.03 0.35 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 2rct s ILE 110 Cb -0.00 -3.52 0.05 0.00 -1.58 0.00 0.00 42.46 37.41 2rct s ILE 110 CO -0.05 0.48 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.40 2rct s GLU 111 N -0.08 2.39 4.10 2.79 2.02 -0.36 -0.51 118.70 129.06 2rct s GLU 111 Ca 0.14 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.96 2rct s GLU 111 Cb -0.12 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2rct s GLU 111 CO 0.03 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.25 2rct n GLY 112 N 4.50 1.04 0.69 -1.39 0.00 -1.26 -1.63 105.19 107.14 2rct n GLY 112 Ca -0.16 0.54 0.06 0.00 0.00 0.00 0.00 46.02 46.47 2rct n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rct n ASP 113 N 9.01 3.21 -4.28 1.61 10.43 -1.26 -4.99 116.55 130.28 2rct n ASP 113 Ca 0.00 -2.36 -0.22 0.00 2.57 0.00 0.00 54.79 54.79 2rct n ASP 113 Cb 0.00 -0.33 -0.12 0.00 1.84 0.00 0.00 41.12 42.51 2rct n ASP 113 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2rct s LYS 114 N -1.64 1.11 -0.15 -1.24 1.02 -0.65 -3.36 119.74 114.84 2rct s LYS 114 Ca 0.29 -1.22 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 2rct s LYS 114 Cb 0.19 -1.23 -0.03 0.00 -0.52 0.00 0.00 37.83 36.25 2rct s LYS 114 CO 0.13 0.27 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.64 2rct s LEU 115 N -2.19 3.44 -0.02 3.17 0.20 -0.33 -1.22 118.68 121.74 2rct s LEU 115 Ca 0.08 -0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.93 2rct s LEU 115 Cb -0.08 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 2rct s LEU 115 CO 0.04 0.22 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.85 2rct s TYR 116 N 0.09 2.62 -0.03 5.38 1.51 0.95 0.03 117.35 127.90 2rct s TYR 116 Ca 0.01 -0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2rct s TYR 116 Cb -0.13 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.18 2rct s TYR 116 CO 0.02 0.19 0.05 -1.17 -1.11 0.00 0.00 175.55 173.52 2rct s LEU 117 N -0.95 0.56 -0.18 -1.29 2.96 -0.56 -1.19 118.68 118.05 2rct s LEU 117 Ca 0.12 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2rct s LEU 117 Cb -0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 2rct s LEU 117 CO 0.02 -0.20 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.17 2rct s GLU 118 N 1.67 3.41 -0.13 1.98 2.02 0.18 -0.32 118.70 127.52 2rct s GLU 118 Ca -0.01 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.32 2rct s GLU 118 Cb -0.12 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 2rct s GLU 118 CO -0.03 0.01 -0.05 -0.51 0.02 0.00 0.00 175.26 174.71 2rct s LEU 119 N 0.91 3.23 0.04 1.80 1.43 0.27 -0.68 118.68 125.68 2rct s LEU 119 Ca -0.02 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2rct s LEU 119 Cb -0.15 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2rct s LEU 119 CO 0.00 0.24 -0.18 0.42 0.23 0.00 0.00 176.35 177.06 2rct s THR 120 N -0.06 1.48 -0.22 5.49 -4.23 -0.16 -0.33 115.64 117.62 2rct s THR 120 Ca 0.01 -1.09 -0.12 0.00 -1.18 0.00 0.00 61.69 59.31 2rct s THR 120 Cb -0.13 -1.29 0.07 0.00 1.34 0.00 0.00 72.50 72.48 2rct s THR 120 CO 0.03 0.17 0.53 0.00 -0.54 0.00 0.00 174.62 174.82 2rct n GLY 122 N 4.28 4.24 1.50 0.00 0.00 0.73 -0.96 105.19 114.99 2rct n GLY 122 Ca -0.22 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.04 2rct n GLY 122 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2rct n ASP 123 N 8.35 4.76 -4.55 1.61 5.68 -1.26 -4.74 116.55 126.39 2rct n ASP 123 Ca 0.00 -2.60 -0.34 0.00 -0.50 0.00 0.00 54.79 51.35 2rct n ASP 123 Cb 0.00 -0.58 -0.12 0.00 -1.14 0.00 0.00 41.12 39.29 2rct n ASP 123 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2rct s GLN 124 N -2.12 2.88 -0.08 0.11 -1.52 -0.14 -5.11 119.66 113.68 2rct s GLN 124 Ca 0.49 -0.56 0.02 0.00 -1.95 0.00 0.00 55.36 53.36 2rct s GLN 124 Cb 0.34 -2.62 0.02 0.00 -0.22 0.00 0.00 33.01 30.52 2rct s GLN 124 CO 0.20 0.59 -0.12 0.08 -0.25 0.00 0.00 175.29 175.78 2rct s VAL 125 N -0.60 1.21 -0.14 1.09 1.01 -1.26 -1.78 120.40 119.94 2rct s VAL 125 Ca 0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2rct s VAL 125 Cb -0.12 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2rct s VAL 125 CO 0.02 0.38 -0.02 0.00 0.00 0.00 0.00 175.10 175.48 2rct s ARG 127 N 0.02 3.31 0.06 0.00 0.52 -0.54 -0.56 118.95 121.75 2rct s ARG 127 Ca 0.01 -0.70 0.07 0.00 -0.52 0.00 0.00 55.73 54.60 2rct s ARG 127 Cb -0.13 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 2rct s ARG 127 CO 0.02 0.03 -0.20 -0.65 0.02 0.00 0.00 175.30 174.52 2rct s GLN 128 N 0.82 1.31 -0.03 3.54 -0.21 0.57 -0.80 119.66 124.86 2rct s GLN 128 Ca -0.04 -0.98 0.03 0.00 0.02 0.00 0.00 55.36 54.39 2rct s GLN 128 Cb -0.15 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.40 2rct s GLN 128 CO 0.00 0.36 -0.12 0.08 -2.12 0.00 0.00 175.29 173.50 2rct s VAL 129 N -0.88 0.99 -0.08 1.09 1.01 -0.69 -1.49 120.40 120.36 2rct s VAL 129 Ca 0.07 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2rct s VAL 129 Cb -0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 2rct s VAL 129 CO 0.02 0.30 -0.22 -0.36 0.00 0.00 0.00 175.10 174.84 2rct s PHE 130 N 0.16 2.29 0.44 5.22 0.40 0.10 0.01 117.98 126.60 2rct s PHE 130 Ca -0.04 -0.83 -0.10 0.00 -0.60 0.00 0.00 56.93 55.36 2rct s PHE 130 Cb -0.10 -1.53 -0.06 0.00 0.51 0.00 0.00 43.02 41.84 2rct s PHE 130 CO 0.01 -0.31 0.81 -1.59 0.70 0.00 0.00 175.22 174.83 2rct s LYS 131 N 0.20 3.75 0.12 0.44 -2.85 0.58 -1.19 119.74 120.79 2rct s LYS 131 Ca -0.12 0.49 -0.31 0.00 -1.00 0.00 0.00 55.97 55.03 2rct s LYS 131 Cb -0.16 -2.35 -0.08 0.00 -2.06 0.00 0.00 37.83 33.19 2rct s LYS 131 CO 0.06 -0.11 1.34 0.21 0.10 0.00 0.00 175.35 176.95 2rct s LYS 132 N -4.06 4.35 -0.25 1.78 2.20 -1.22 -0.68 119.74 121.87 2rct s LYS 132 Ca 0.52 2.01 -0.14 0.00 -0.36 0.00 0.00 55.97 57.99 2rct s LYS 132 Cb -0.10 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.85 2rct s LYS 132 CO 0.34 -0.37 -0.34 1.63 -0.36 0.00 0.00 175.35 176.25 2rct n LYS 133 N 3.75 0.55 -3.79 4.03 4.76 0.06 -4.84 118.16 122.69 2rct n LYS 133 Ca 0.10 0.24 -0.13 0.00 -2.87 0.00 0.00 58.31 55.65 2rct n LYS 133 Cb 0.43 -1.43 -0.12 0.00 -1.84 0.00 0.00 35.03 32.07 2rct n LYS 133 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2rct s LEU 134 N -7.51 1.14 0.04 -0.35 1.43 -0.69 -4.97 118.68 107.78 2rct s LEU 134 Ca -0.35 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2rct s LEU 134 Cb 0.12 0.63 -0.02 0.00 0.03 0.00 0.00 46.19 46.95 2rct s LEU 134 CO 0.46 -0.08 -0.08 0.68 0.23 0.00 0.00 176.35 177.55 2rct s VAL 135 N 0.32 0.56 0.32 -1.59 -7.23 -1.26 -0.49 120.40 111.04 2rct s VAL 135 Ca -0.02 -1.05 0.07 0.00 -1.81 0.00 0.00 61.98 59.17 2rct s VAL 135 Cb -0.03 -0.62 0.09 0.00 0.56 0.00 0.00 36.38 36.38 2rct s VAL 135 CO -0.01 -0.35 1.79 1.55 -0.31 0.00 0.00 175.10 177.76 2rct h PRO 136 N 4.56 0.31 0.00 4.82 0.13 -1.99 -3.50 132.00 136.32 2rct h PRO 136 Ca -0.36 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2rct h PRO 136 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2rct h PRO 136 CO 0.41 0.55 0.00 2.89 -0.23 0.00 0.00 178.00 181.62