#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m s THR 2 N 0.00 1.67 -0.53 2.03 -4.23 -1.26 -4.89 115.64 108.43 1b4m s THR 2 Ca 0.00 -1.54 -0.15 0.00 -1.18 0.00 0.00 61.69 58.82 1b4m s THR 2 Cb 0.00 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.65 1b4m s THR 2 CO 0.00 0.00 0.63 0.29 -0.54 0.00 0.00 174.62 175.00 1b4m n LYS 3 N -1.69 -2.02 0.10 3.99 5.02 -1.26 -4.94 118.16 117.37 1b4m n LYS 3 Ca -0.03 1.79 -0.13 0.00 -2.02 0.00 0.00 58.31 57.92 1b4m n LYS 3 Cb 0.64 -4.96 -0.08 0.00 -0.02 0.00 0.00 35.03 30.61 1b4m n LYS 3 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1b4m h ASP 4 N 1.50 -0.24 -3.71 4.39 3.58 -1.90 -3.49 116.42 116.56 1b4m h ASP 4 Ca -0.12 -0.25 0.20 0.00 0.42 0.00 0.00 57.03 57.27 1b4m h ASP 4 Cb 1.09 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 42.12 1b4m h ASP 4 CO 0.24 0.16 -0.51 0.00 -2.88 0.00 0.00 179.24 176.25 1b4m n GLN 5 N -5.04 -1.73 -0.47 0.28 10.64 -1.26 -5.03 117.38 114.77 1b4m n GLN 5 Ca -0.09 1.30 0.00 0.00 -1.83 0.00 0.00 57.00 56.38 1b4m n GLN 5 Cb 0.25 -2.06 0.00 0.00 -0.86 0.00 0.00 30.24 27.56 1b4m n GLN 5 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1b4m n ASN 6 N -3.49 0.00 0.00 2.61 4.05 -1.14 -5.02 115.26 112.26 1b4m n ASN 6 Ca -0.02 0.32 0.00 0.00 0.45 0.00 0.00 54.58 55.32 1b4m n ASN 6 Cb 0.37 -0.47 0.00 0.00 1.23 0.00 0.00 39.78 40.91 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1b4m n GLY 7 N 0.81 1.63 0.00 8.20 0.00 -0.93 -5.02 105.19 109.88 1b4m n GLY 7 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1b4m n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b4m n THR 8 N 0.00 0.00 -3.44 2.61 5.66 -1.26 -4.47 114.28 113.38 1b4m n THR 8 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1b4m n THR 8 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1b4m n THR 8 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1b4m s TRP 9 N -1.77 -0.31 -0.77 1.09 0.52 0.12 -2.28 118.94 115.54 1b4m s TRP 9 Ca 0.00 -0.14 -0.26 0.00 0.02 0.00 0.00 56.10 55.73 1b4m s TRP 9 Cb 0.00 -0.48 -0.08 0.00 -1.15 0.00 0.00 33.47 31.75 1b4m s TRP 9 CO 0.00 -0.82 2.19 -1.21 0.02 0.00 0.00 176.95 177.13 1b4m s GLU 10 N 2.32 2.11 -0.96 4.98 2.02 -1.12 -2.03 118.70 126.03 1b4m s GLU 10 Ca 0.09 0.36 -0.23 0.00 0.02 0.00 0.00 54.97 55.21 1b4m s GLU 10 Cb -0.15 -4.81 -0.25 0.00 0.10 0.00 0.00 34.13 29.03 1b4m s GLU 10 CO -0.27 -3.74 2.47 -0.12 0.02 0.00 0.00 175.26 173.62 1b4m n MET 11 N 8.90 0.10 -0.33 1.61 1.56 -1.26 -4.06 117.12 123.63 1b4m n MET 11 Ca 0.40 -0.04 0.30 0.00 -0.27 0.00 0.00 57.70 58.09 1b4m n MET 11 Cb 0.47 -1.56 0.51 0.00 2.15 0.00 0.00 33.22 34.80 1b4m n MET 11 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1b4m n GLU 12 N 7.49 -0.04 0.00 2.12 2.13 -0.80 -4.46 120.64 127.08 1b4m n GLU 12 Ca 0.64 1.03 0.00 0.00 0.66 0.00 0.00 57.16 59.49 1b4m n GLU 12 Cb 0.12 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1b4m n SER 13 N -4.47 0.00 -4.73 4.31 3.41 -0.60 -5.01 113.62 106.53 1b4m n SER 13 Ca 0.31 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.56 1b4m n SER 13 Cb 1.17 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.05 1b4m n SER 13 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1b4m s ASN 14 N 0.00 6.41 -0.03 4.04 3.84 -1.26 -3.05 114.94 124.89 1b4m s ASN 14 Ca 0.00 0.48 0.06 0.00 0.21 0.00 0.00 52.86 53.60 1b4m s ASN 14 Cb 0.00 -2.17 -0.02 0.00 -0.55 0.00 0.00 41.25 38.51 1b4m s ASN 14 CO 0.00 0.12 -0.20 -0.70 -2.79 0.00 0.00 177.10 173.53 1b4m s GLU 15 N 0.41 2.29 -0.80 0.43 2.56 -1.26 -4.78 118.70 117.55 1b4m s GLU 15 Ca 0.15 -0.83 -0.01 0.00 0.00 0.00 0.00 54.97 54.29 1b4m s GLU 15 Cb -0.13 -2.22 -0.00 0.00 2.00 0.00 0.00 34.13 33.79 1b4m s GLU 15 CO 0.03 0.59 0.65 0.09 -0.56 0.00 0.00 175.26 176.06 1b4m n ASN 16 N 2.27 -6.20 -0.07 -1.70 4.13 -1.26 -4.26 115.26 108.17 1b4m n ASN 16 Ca -0.17 -0.57 -0.20 0.00 1.68 0.00 0.00 54.58 55.33 1b4m n ASN 16 Cb 0.52 -3.37 -0.13 0.00 -1.54 0.00 0.00 39.78 35.26 1b4m n ASN 16 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1b4m n PHE 17 N -2.29 0.60 0.02 3.10 7.35 -1.26 -3.78 117.46 121.20 1b4m n PHE 17 Ca -0.17 0.13 -0.18 0.00 -0.76 0.00 0.00 57.45 56.47 1b4m n PHE 17 Cb 0.60 -1.08 -0.08 0.00 0.35 0.00 0.00 39.48 39.28 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1b4m h GLU 18 N -0.01 0.68 0.00 -4.13 4.81 -1.98 -3.16 114.58 110.79 1b4m h GLU 18 Ca -0.51 -0.66 -0.06 0.00 -0.13 0.00 0.00 59.36 58.01 1b4m h GLU 18 Cb 1.94 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.48 1b4m h GLU 18 CO -0.02 1.26 -0.27 0.78 -0.73 0.00 0.00 179.01 180.03 1b4m h GLY 19 N 0.61 0.00 1.86 1.92 0.00 -1.96 -1.54 103.07 103.96 1b4m h GLY 19 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1b4m h GLY 19 CO 0.18 0.00 -0.58 -1.82 0.00 0.00 0.00 176.54 174.32 1b4m h TYR 20 N 0.00 0.19 0.00 5.60 3.20 -1.64 0.47 116.97 124.79 1b4m h TYR 20 Ca -0.00 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.69 1b4m h TYR 20 Cb 0.61 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1b4m h TYR 20 CO 0.00 0.69 -0.53 0.52 -1.64 0.00 0.00 178.16 177.20 1b4m h MET 21 N 0.11 0.00 0.03 1.82 2.86 -1.36 -3.08 114.93 115.32 1b4m h MET 21 Ca -0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1b4m h MET 21 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1b4m h MET 21 CO 0.08 0.53 -1.06 0.87 1.06 0.00 0.00 176.91 178.40 1b4m h LYS 22 N 0.00 0.07 -0.83 1.72 1.57 -0.88 0.49 116.57 118.71 1b4m h LYS 22 Ca -0.01 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1b4m h LYS 22 Cb 1.17 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 1b4m h LYS 22 CO 0.07 1.05 0.55 0.00 -0.57 0.00 0.00 179.45 180.55 1b4m h ALA 23 N 0.90 1.06 -0.00 3.86 0.00 0.04 -2.50 119.26 122.61 1b4m h ALA 23 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1b4m h ALA 23 Cb 1.81 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1b4m h ALA 23 CO 0.15 0.43 -0.70 1.47 0.00 0.00 0.00 179.25 180.60 1b4m n LEU 24 N -4.52 1.17 -2.87 0.00 -0.00 -1.22 -4.98 117.00 104.57 1b4m n LEU 24 Ca 0.09 -0.59 -0.03 0.00 -0.00 0.00 0.00 56.01 55.49 1b4m n LEU 24 Cb 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.43 1b4m n LEU 24 CO 0.36 0.25 -0.33 -0.67 -0.00 0.00 0.00 177.39 177.00 1b4m n ASP 25 N -0.98 -4.48 -2.29 1.45 2.03 -0.58 -4.95 116.55 106.75 1b4m n ASP 25 Ca 0.05 1.12 -0.20 0.00 0.52 0.00 0.00 54.79 56.28 1b4m n ASP 25 Cb 0.32 -3.28 0.02 0.00 -0.72 0.00 0.00 41.12 37.46 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b4m n ILE 26 N 2.07 2.19 -0.32 5.18 3.06 0.06 -4.98 119.36 126.63 1b4m n ILE 26 Ca -0.19 -4.08 0.00 0.00 -2.50 0.00 0.00 62.75 55.98 1b4m n ILE 26 Cb 0.31 -0.65 0.00 0.00 0.54 0.00 0.00 39.64 39.84 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1b4m n ASP 27 N -0.60 -2.71 -2.78 9.51 2.03 -1.26 -5.03 116.55 115.70 1b4m n ASP 27 Ca 0.35 0.25 -0.06 0.00 0.52 0.00 0.00 54.79 55.84 1b4m n ASP 27 Cb 0.87 -0.13 0.01 0.00 -0.72 0.00 0.00 41.12 41.14 1b4m n ASP 27 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1b4m n PHE 28 N -0.81 -1.87 -2.52 -0.67 1.16 -1.26 -4.58 117.46 106.91 1b4m n PHE 28 Ca 0.00 -0.61 -0.20 0.00 -1.87 0.00 0.00 57.45 54.77 1b4m n PHE 28 Cb 0.00 -0.13 -0.00 0.00 -1.61 0.00 0.00 39.48 37.73 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1b4m n ALA 29 N -2.74 -0.71 0.35 1.98 0.00 -1.26 -4.82 120.51 113.32 1b4m n ALA 29 Ca -0.04 0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.66 1b4m n ALA 29 Cb 0.17 -2.31 -0.14 0.00 0.00 0.00 0.00 19.45 17.17 1b4m n ALA 29 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1b4m n THR 30 N -3.96 0.00 -1.81 0.00 5.66 -1.26 -4.99 114.28 107.92 1b4m n THR 30 Ca -0.20 -0.29 -0.06 0.00 -3.05 0.00 0.00 64.05 60.44 1b4m n THR 30 Cb 0.66 0.42 0.04 0.00 -1.55 0.00 0.00 70.33 69.90 1b4m n THR 30 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1b4m n ARG 31 N -1.90 0.08 -0.86 1.09 0.00 -1.26 -4.61 116.66 109.19 1b4m n ARG 31 Ca -0.01 -0.60 0.00 0.00 -0.00 0.00 0.00 57.85 57.24 1b4m n ARG 31 Cb 0.43 -0.25 0.00 0.00 -0.00 0.00 0.00 32.46 32.64 1b4m n ARG 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1b4m n LYS 32 N -1.57 0.00 0.00 2.89 2.85 -1.26 -4.73 118.16 116.34 1b4m n LYS 32 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1b4m n LYS 32 Cb 0.15 -2.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.03 1b4m n LYS 32 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1b4m n ILE 33 N -2.68 0.00 -0.09 0.58 -6.64 -1.26 -4.88 119.36 104.39 1b4m n ILE 33 Ca 0.00 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 60.94 1b4m n ILE 33 Cb 0.00 -0.05 0.16 0.00 -1.44 0.00 0.00 39.64 38.31 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1b4m n ALA 34 N -1.65 3.68 0.11 -1.28 0.00 -1.26 -4.12 120.51 116.00 1b4m n ALA 34 Ca 0.00 -1.26 0.18 0.00 0.00 0.00 0.00 53.44 52.36 1b4m n ALA 34 Cb 0.00 -1.15 0.75 0.00 0.00 0.00 0.00 19.45 19.05 1b4m n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b4m h VAL 35 N 1.33 0.57 0.00 0.00 2.07 -1.95 -3.44 116.25 114.83 1b4m h VAL 35 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1b4m h VAL 35 Cb 1.63 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1b4m h VAL 35 CO 0.42 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.55 1b4m n ARG 36 N -4.02 0.00 -0.58 1.57 3.00 -1.26 -4.90 116.66 110.47 1b4m n ARG 36 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 57.85 57.98 1b4m n ARG 36 Cb 0.48 0.00 0.34 0.00 0.00 0.00 0.00 32.46 33.27 1b4m n ARG 36 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1b4m n LEU 37 N 0.00 4.61 0.00 0.55 -0.00 -1.26 -4.81 117.00 116.09 1b4m n LEU 37 Ca 0.00 -2.51 0.00 0.00 -0.00 0.00 0.00 56.01 53.50 1b4m n LEU 37 Cb 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.87 1b4m n LEU 37 CO 0.00 0.78 0.00 0.41 -0.00 0.00 0.00 177.39 178.58 1b4m n THR 38 N 0.85 0.00 -1.05 1.47 -1.04 -1.26 -4.94 114.28 108.30 1b4m n THR 38 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1b4m n THR 38 Cb 0.88 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.39 1b4m n THR 38 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1b4m n GLN 39 N 0.00 -3.02 0.00 -2.82 7.27 -1.26 -5.06 117.38 112.49 1b4m n GLN 39 Ca 0.00 2.25 0.00 0.00 0.07 0.00 0.00 57.00 59.32 1b4m n GLN 39 Cb 0.00 -2.54 0.00 0.00 2.41 0.00 0.00 30.24 30.11 1b4m n GLN 39 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1b4m n THR 40 N -0.96 0.00 -3.82 1.69 -1.04 -1.26 -4.84 114.28 104.04 1b4m n THR 40 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1b4m n THR 40 Cb 0.01 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.49 1b4m n THR 40 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1b4m s LYS 41 N 0.00 3.47 0.14 -2.82 2.36 -0.86 -1.96 119.74 120.07 1b4m s LYS 41 Ca 0.00 -0.52 0.01 0.00 -2.55 0.00 0.00 55.97 52.91 1b4m s LYS 41 Cb 0.00 -2.89 -0.04 0.00 -1.05 0.00 0.00 37.83 33.85 1b4m s LYS 41 CO 0.00 0.44 -0.01 0.42 1.55 0.00 0.00 175.35 177.74 1b4m s ILE 42 N -1.87 0.59 -0.03 5.43 1.09 0.30 0.16 121.20 126.88 1b4m s ILE 42 Ca 0.36 -1.95 0.01 0.00 -1.10 0.00 0.00 60.65 57.97 1b4m s ILE 42 Cb -0.11 -1.95 0.01 0.00 -1.06 0.00 0.00 42.46 39.36 1b4m s ILE 42 CO 0.29 -0.62 -0.05 -0.51 -0.10 0.00 0.00 174.94 173.95 1b4m s ILE 43 N -3.71 0.54 -0.04 2.92 -1.16 -1.26 0.75 121.20 119.24 1b4m s ILE 43 Ca 0.19 -0.18 -0.06 0.00 -0.51 0.00 0.00 60.65 60.10 1b4m s ILE 43 Cb 0.06 -0.52 -0.02 0.00 0.61 0.00 0.00 42.46 42.59 1b4m s ILE 43 CO 0.00 0.20 -0.11 0.52 -2.81 0.00 0.00 174.94 172.74 1b4m n VAL 44 N 3.65 0.74 -2.79 4.00 0.31 -1.26 -2.18 118.33 120.80 1b4m n VAL 44 Ca -0.21 0.27 -0.01 0.00 -0.01 0.00 0.00 64.34 64.38 1b4m n VAL 44 Cb 0.53 -1.70 -0.01 0.00 -0.91 0.00 0.00 33.84 31.76 1b4m n VAL 44 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1b4m n GLN 45 N -3.33 -3.11 -0.02 5.55 7.27 -1.26 -2.90 117.38 119.57 1b4m n GLN 45 Ca -0.04 2.54 -0.21 0.00 0.07 0.00 0.00 57.00 59.35 1b4m n GLN 45 Cb 0.17 -4.48 -0.13 0.00 2.41 0.00 0.00 30.24 28.20 1b4m n GLN 45 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1b4m n ASP 46 N 1.03 2.09 0.00 1.69 9.92 -0.91 -4.60 116.55 125.78 1b4m n ASP 46 Ca -0.07 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1b4m n ASP 46 Cb 0.19 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b4m n GLY 47 N 2.01 -1.82 0.10 0.44 0.00 -1.26 -4.93 105.19 99.73 1b4m n GLY 47 Ca -0.35 0.74 0.12 0.00 0.00 0.00 0.00 46.02 46.53 1b4m n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b4m n ASP 48 N 0.00 0.79 -4.34 1.61 5.75 -1.26 -4.73 116.55 114.36 1b4m n ASP 48 Ca 0.00 0.26 -0.39 0.00 -0.01 0.00 0.00 54.79 54.65 1b4m n ASP 48 Cb 0.00 0.50 -0.12 0.00 -1.03 0.00 0.00 41.12 40.47 1b4m n ASP 48 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b4m s ASN 49 N -5.12 5.53 -0.29 -1.12 4.22 -1.26 -0.78 114.94 116.12 1b4m s ASN 49 Ca 0.00 -0.98 -0.01 0.00 -2.14 0.00 0.00 52.86 49.73 1b4m s ASN 49 Cb 0.10 -1.96 0.05 0.00 1.28 0.00 0.00 41.25 40.73 1b4m s ASN 49 CO 0.79 -0.34 -0.03 0.12 -2.04 0.00 0.00 177.10 175.61 1b4m s PHE 50 N 1.50 3.25 -0.71 1.54 5.36 -1.05 -2.14 117.98 125.74 1b4m s PHE 50 Ca 0.01 -1.95 0.05 0.00 -0.96 0.00 0.00 56.93 54.08 1b4m s PHE 50 Cb -0.19 -2.07 0.18 0.00 -0.34 0.00 0.00 43.02 40.60 1b4m s PHE 50 CO 0.05 -0.82 0.52 1.63 -1.46 0.00 0.00 175.22 175.15 1b4m n LYS 51 N 4.58 1.91 -0.67 10.12 5.02 -1.26 -3.35 118.16 134.51 1b4m n LYS 51 Ca -0.14 -4.51 -0.31 0.00 -2.02 0.00 0.00 58.31 51.33 1b4m n LYS 51 Cb 0.43 -2.29 0.17 0.00 -0.02 0.00 0.00 35.03 33.32 1b4m n LYS 51 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1b4m n THR 52 N 1.89 0.00 -3.54 -0.18 -1.04 -1.22 -4.20 114.28 105.98 1b4m n THR 52 Ca 0.21 -0.06 -0.16 0.00 -2.04 0.00 0.00 64.05 61.99 1b4m n THR 52 Cb 0.35 -0.94 -0.06 0.00 -1.82 0.00 0.00 70.33 67.86 1b4m n THR 52 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1b4m s LYS 53 N -4.47 0.94 -0.13 -2.82 -2.85 0.23 -2.13 119.74 108.51 1b4m s LYS 53 Ca 0.66 0.31 -0.05 0.00 -1.00 0.00 0.00 55.97 55.88 1b4m s LYS 53 Cb -0.23 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 1b4m s LYS 53 CO 0.60 -0.28 0.06 -0.08 0.10 0.00 0.00 175.35 175.76 1b4m s THR 54 N -1.00 4.82 -2.20 3.79 -1.32 -1.26 0.11 115.64 118.58 1b4m s THR 54 Ca -0.08 -0.04 0.18 0.00 -1.21 0.00 0.00 61.69 60.54 1b4m s THR 54 Cb -0.01 -3.10 0.43 0.00 -1.51 0.00 0.00 72.50 68.31 1b4m s THR 54 CO 0.07 0.56 1.43 -3.20 -2.21 0.00 0.00 174.62 171.28 1b4m n ASN 55 N 2.54 2.31 -4.48 8.08 2.85 -0.83 -4.16 115.26 121.57 1b4m n ASN 55 Ca -0.18 -1.88 -0.43 0.00 -0.11 0.00 0.00 54.58 51.97 1b4m n ASN 55 Cb 0.54 -0.22 -0.10 0.00 1.24 0.00 0.00 39.78 41.24 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1b4m n SER 56 N 0.75 1.25 -0.22 1.20 7.64 -1.26 -4.69 113.62 118.28 1b4m n SER 56 Ca 0.16 0.08 0.14 0.00 1.01 0.00 0.00 58.87 60.27 1b4m n SER 56 Cb 0.40 -1.17 0.27 0.00 -1.01 0.00 0.00 64.21 62.71 1b4m n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1b4m n THR 57 N 7.49 -0.28 0.02 0.44 -2.24 -1.26 0.73 114.28 119.19 1b4m n THR 57 Ca 0.52 1.40 -0.03 0.00 -2.27 0.00 0.00 64.05 63.67 1b4m n THR 57 Cb 0.20 -2.13 -0.02 0.00 -2.10 0.00 0.00 70.33 66.28 1b4m n THR 57 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1b4m h PHE 58 N 0.00 -0.28 -3.54 4.78 0.04 -1.95 -3.43 116.94 112.56 1b4m h PHE 58 Ca 0.47 0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.99 1b4m h PHE 58 Cb 1.10 0.12 -0.30 0.00 2.20 0.00 0.00 35.95 39.06 1b4m h PHE 58 CO -0.20 -0.11 -0.68 0.50 -0.60 0.00 0.00 178.31 177.22 1b4m s ARG 59 N -3.50 0.03 -0.34 1.51 3.52 0.22 -5.11 118.95 115.28 1b4m s ARG 59 Ca -0.03 0.15 0.04 0.00 -0.13 0.00 0.00 55.73 55.76 1b4m s ARG 59 Cb 0.01 -0.10 0.10 0.00 -1.56 0.00 0.00 34.95 33.40 1b4m s ARG 59 CO 0.11 -0.08 0.05 -0.80 -0.81 0.00 0.00 175.30 173.76 1b4m s ASN 60 N 0.55 4.72 -0.30 -2.12 0.01 -1.24 -4.07 114.94 112.49 1b4m s ASN 60 Ca -0.04 -2.10 -0.17 0.00 -0.71 0.00 0.00 52.86 49.83 1b4m s ASN 60 Cb -0.06 -1.59 0.18 0.00 0.41 0.00 0.00 41.25 40.19 1b4m s ASN 60 CO -0.02 -0.37 1.20 -0.47 -1.51 0.00 0.00 177.10 175.93 1b4m s TYR 61 N 0.94 -0.20 0.00 2.20 5.04 -1.26 -4.93 117.35 119.14 1b4m s TYR 61 Ca 0.10 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 1b4m s TYR 61 Cb -0.19 0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.21 1b4m s TYR 61 CO -0.09 -0.11 0.00 -0.25 -1.34 0.00 0.00 175.55 173.77 1b4m n ASP 62 N 5.18 0.00 -2.13 4.32 9.92 -1.26 -4.81 116.55 127.77 1b4m n ASP 62 Ca -0.08 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.90 1b4m n ASP 62 Cb 0.55 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.07 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1b4m n LEU 63 N -1.35 6.02 -4.56 0.64 7.94 -0.91 -4.99 117.00 119.79 1b4m n LEU 63 Ca 0.00 -4.56 -0.38 0.00 -1.11 0.00 0.00 56.01 49.96 1b4m n LEU 63 Cb 0.00 -0.59 -0.03 0.00 0.53 0.00 0.00 43.42 43.33 1b4m n LEU 63 CO 0.00 1.85 1.91 -1.81 -1.11 0.00 0.00 177.39 178.23 1b4m s ASP 64 N -2.89 4.78 0.19 1.96 1.11 -1.26 -3.44 116.67 117.13 1b4m s ASP 64 Ca 0.56 1.09 -0.00 0.00 0.18 0.00 0.00 52.55 54.38 1b4m s ASP 64 Cb 0.45 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.93 1b4m s ASP 64 CO 0.02 -2.61 0.25 0.49 1.18 0.00 0.00 175.17 174.49 1b4m n PHE 65 N 14.53 -0.89 -3.92 4.23 3.72 -1.21 -5.03 117.46 128.89 1b4m n PHE 65 Ca 0.32 -1.32 -0.09 0.00 -0.05 0.00 0.00 57.45 56.31 1b4m n PHE 65 Cb 0.53 0.28 -0.06 0.00 -0.94 0.00 0.00 39.48 39.29 1b4m n PHE 65 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1b4m s THR 66 N -2.65 0.04 -0.16 4.37 2.01 -1.26 -2.54 115.64 115.44 1b4m s THR 66 Ca 0.17 -1.24 -0.14 0.00 0.31 0.00 0.00 61.69 60.79 1b4m s THR 66 Cb -0.00 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 1b4m s THR 66 CO 0.12 -0.16 0.30 -0.69 -0.69 0.00 0.00 174.62 173.49 1b4m s VAL 67 N -3.96 5.30 -0.58 3.82 1.01 0.04 -4.33 120.40 121.71 1b4m s VAL 67 Ca 0.17 0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 1b4m s VAL 67 Cb 0.01 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1b4m s VAL 67 CO 0.02 0.39 0.21 0.61 0.00 0.00 0.00 175.10 176.33 1b4m n GLY 68 N 3.34 0.23 2.75 4.51 0.00 0.27 -4.95 105.19 111.34 1b4m n GLY 68 Ca -0.12 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 1b4m n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b4m n VAL 69 N -3.72 3.00 0.00 1.61 0.31 -1.26 -4.99 118.33 113.28 1b4m n VAL 69 Ca -0.05 -5.32 0.00 0.00 -0.01 0.00 0.00 64.34 58.96 1b4m n VAL 69 Cb 0.55 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1b4m n VAL 69 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1b4m n GLU 70 N -0.34 0.00 -1.56 5.55 2.13 -1.26 -4.62 120.64 120.55 1b4m n GLU 70 Ca 0.36 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.95 1b4m n GLU 70 Cb 0.48 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.13 1b4m n GLU 70 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1b4m n PHE 71 N 0.00 1.26 -2.02 4.31 3.01 -1.22 -4.79 117.46 118.01 1b4m n PHE 71 Ca 0.00 0.04 -0.27 0.00 1.01 0.00 0.00 57.45 58.23 1b4m n PHE 71 Cb 0.00 -2.62 -0.07 0.00 -0.01 0.00 0.00 39.48 36.79 1b4m n PHE 71 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1b4m s ASP 72 N 11.39 4.86 0.38 4.37 2.15 -1.26 0.14 116.67 138.71 1b4m s ASP 72 Ca 0.96 -1.60 0.00 0.00 0.43 0.00 0.00 52.55 52.34 1b4m s ASP 72 Cb -0.16 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1b4m s ASP 72 CO 0.16 -3.26 0.00 1.21 -0.17 0.00 0.00 175.17 173.11 1b4m n GLU 73 N 8.27 -2.60 0.00 4.34 2.13 -0.93 -4.87 120.64 126.98 1b4m n GLU 73 Ca 0.44 2.02 0.00 0.00 0.66 0.00 0.00 57.16 60.29 1b4m n GLU 73 Cb 0.47 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.61 1b4m n GLU 73 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1b4m n HIS 74 N -2.33 0.00 -3.73 4.31 8.25 -1.25 -4.79 115.22 115.67 1b4m n HIS 74 Ca -0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 1b4m n HIS 74 Cb 0.32 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.26 1b4m n HIS 74 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1b4m s THR 75 N 0.00 0.33 0.27 1.59 -4.23 -1.26 -4.94 115.64 107.39 1b4m s THR 75 Ca 0.00 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 1b4m s THR 75 Cb 0.00 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1b4m s THR 75 CO 0.00 0.05 0.00 0.29 -0.54 0.00 0.00 174.62 174.42 1b4m n LYS 76 N 5.15 0.00 -0.34 3.99 5.02 -1.26 -0.82 118.16 129.89 1b4m n LYS 76 Ca -0.07 0.00 0.22 0.00 -2.02 0.00 0.00 58.31 56.44 1b4m n LYS 76 Cb 0.49 0.00 0.48 0.00 -0.02 0.00 0.00 35.03 35.98 1b4m n LYS 76 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1b4m h GLY 77 N 0.00 1.50 -2.20 0.72 0.00 -2.01 -1.98 103.07 99.10 1b4m h GLY 77 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 1b4m h GLY 77 CO 0.00 -0.22 -0.69 -0.10 0.00 0.00 0.00 176.54 175.53 1b4m n LEU 78 N -4.74 2.88 0.00 3.11 7.94 -1.26 -5.00 117.00 119.93 1b4m n LEU 78 Ca 0.27 -3.76 0.00 0.00 -1.11 0.00 0.00 56.01 51.42 1b4m n LEU 78 Cb 0.89 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.49 1b4m n LEU 78 CO 0.21 1.41 0.00 -0.67 -1.11 0.00 0.00 177.39 177.23 1b4m n ASP 79 N -0.75 0.00 0.00 1.96 2.03 -0.75 -4.94 116.55 114.11 1b4m n ASP 79 Ca 0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1b4m n ASP 79 Cb 0.83 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 80 N 0.00 0.77 0.00 0.27 0.00 -1.15 -4.79 105.19 100.28 1b4m n GLY 80 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1b4m n GLY 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1b4m n ARG 81 N 0.00 0.00 0.00 1.61 3.00 -0.00 -4.93 116.66 116.33 1b4m n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1b4m n ARG 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1b4m n ARG 81 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1b4m n ASN 82 N 0.00 0.00 -3.88 6.15 0.23 -1.26 -4.52 115.26 111.97 1b4m n ASN 82 Ca 0.00 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.88 1b4m n ASN 82 Cb 0.00 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.55 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1b4m s VAL 83 N 0.00 0.31 -0.28 3.53 1.01 -1.26 -4.76 120.40 118.94 1b4m s VAL 83 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.64 1b4m s VAL 83 Cb 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1b4m s VAL 83 CO 0.00 0.14 2.24 -0.54 0.00 0.00 0.00 175.10 176.94 1b4m s LYS 84 N 0.53 2.91 -0.84 2.72 1.02 -1.25 -2.18 119.74 122.65 1b4m s LYS 84 Ca -0.06 1.86 0.01 0.00 0.02 0.00 0.00 55.97 57.81 1b4m s LYS 84 Cb -0.09 -4.41 0.30 0.00 -0.52 0.00 0.00 37.83 33.11 1b4m s LYS 84 CO -0.01 -2.35 1.25 2.41 -0.92 0.00 0.00 175.35 175.73 1b4m n THR 85 N 7.80 4.23 -2.06 2.17 -1.04 0.12 0.11 114.28 125.62 1b4m n THR 85 Ca 0.31 -5.69 -0.40 0.00 -2.04 0.00 0.00 64.05 56.24 1b4m n THR 85 Cb 0.47 -1.81 -0.01 0.00 -1.82 0.00 0.00 70.33 67.16 1b4m n THR 85 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1b4m s LEU 86 N -3.22 4.24 0.04 -4.42 0.20 -1.13 -3.44 118.68 110.95 1b4m s LEU 86 Ca 0.39 2.66 0.07 0.00 0.69 0.00 0.00 54.13 57.94 1b4m s LEU 86 Cb 0.16 -3.87 -0.02 0.00 -0.43 0.00 0.00 46.19 42.03 1b4m s LEU 86 CO -0.03 -0.81 -0.20 -0.69 -0.29 0.00 0.00 176.35 174.33 1b4m s VAL 87 N -1.25 1.59 0.29 1.68 1.01 -1.26 0.01 120.40 122.46 1b4m s VAL 87 Ca 0.56 -1.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 1b4m s VAL 87 Cb -0.38 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1b4m s VAL 87 CO 0.50 0.20 0.72 0.28 0.00 0.00 0.00 175.10 176.79 1b4m s THR 88 N -0.78 0.00 0.08 3.92 -1.32 0.13 0.97 115.64 118.64 1b4m s THR 88 Ca 0.07 -1.01 -0.10 0.00 -1.21 0.00 0.00 61.69 59.44 1b4m s THR 88 Cb -0.09 -2.06 -0.06 0.00 -1.51 0.00 0.00 72.50 68.79 1b4m s THR 88 CO 0.02 0.00 0.40 0.26 -2.21 0.00 0.00 174.62 173.08 1b4m s TRP 89 N -3.83 3.58 -0.17 9.09 0.52 -1.26 -0.16 118.94 126.71 1b4m s TRP 89 Ca 0.12 0.78 0.05 0.00 0.02 0.00 0.00 56.10 57.06 1b4m s TRP 89 Cb -0.06 -2.15 -0.22 0.00 -1.15 0.00 0.00 33.47 29.89 1b4m s TRP 89 CO 0.07 0.52 0.14 -1.91 0.02 0.00 0.00 176.95 175.79 1b4m n GLU 90 N 0.88 0.69 0.00 4.98 0.00 0.54 -4.78 120.64 122.95 1b4m n GLU 90 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1b4m n GLU 90 Cb 0.52 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 30.35 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b4m n GLY 91 N 1.97 1.64 0.00 8.31 0.00 -1.26 -4.85 105.19 110.99 1b4m n GLY 91 Ca -0.35 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1b4m n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b4m n ASN 92 N 0.00 1.04 -3.28 1.61 0.23 -1.26 -4.60 115.26 109.01 1b4m n ASN 92 Ca 0.00 -1.19 -0.08 0.00 -0.53 0.00 0.00 54.58 52.79 1b4m n ASN 92 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1b4m s THR 93 N -0.19 0.00 -0.50 5.53 -1.32 -1.26 -4.26 115.64 113.64 1b4m s THR 93 Ca 0.00 -0.97 -0.20 0.00 -1.21 0.00 0.00 61.69 59.31 1b4m s THR 93 Cb 0.00 -2.57 0.05 0.00 -1.51 0.00 0.00 72.50 68.47 1b4m s THR 93 CO 0.00 0.00 0.68 -0.22 -2.21 0.00 0.00 174.62 172.87 1b4m s LEU 94 N -3.03 4.71 -0.19 9.08 2.96 -1.23 0.20 118.68 131.17 1b4m s LEU 94 Ca 0.14 -0.69 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 1b4m s LEU 94 Cb -0.05 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1b4m s LEU 94 CO 0.09 -0.92 -0.00 -0.69 -1.32 0.00 0.00 176.35 173.51 1b4m s VAL 95 N 2.90 4.02 0.04 1.68 1.01 0.77 -0.37 120.40 130.45 1b4m s VAL 95 Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1b4m s VAL 95 Cb -0.17 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1b4m s VAL 95 CO 0.15 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.63 1b4m s VAL 97 N -1.57 0.96 -0.41 0.00 -7.23 0.10 -4.12 120.40 108.13 1b4m s VAL 97 Ca -0.11 -0.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.84 1b4m s VAL 97 Cb -0.09 -1.44 0.02 0.00 0.56 0.00 0.00 36.38 35.44 1b4m s VAL 97 CO -0.01 -0.26 0.90 -1.10 -0.31 0.00 0.00 175.10 174.33 1b4m s GLN 98 N 1.64 3.67 0.00 4.82 -1.52 -1.25 -2.84 119.66 124.18 1b4m s GLN 98 Ca -0.01 0.33 0.00 0.00 -1.95 0.00 0.00 55.36 53.73 1b4m s GLN 98 Cb -0.18 -3.87 0.00 0.00 -0.22 0.00 0.00 33.01 28.75 1b4m s GLN 98 CO -0.10 -1.07 0.56 1.17 -0.25 0.00 0.00 175.29 175.60 1b4m n LYS 99 N 6.92 0.00 -0.02 2.91 3.00 0.12 -4.21 118.16 126.87 1b4m n LYS 99 Ca 0.06 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 1b4m n LYS 99 Cb 0.48 -1.06 -0.00 0.00 0.00 0.00 0.00 35.03 34.45 1b4m n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b4m n GLY 100 N -0.74 -2.72 0.00 3.14 0.00 -1.26 -4.71 105.19 98.90 1b4m n GLY 100 Ca 0.00 -1.37 0.07 0.00 0.00 0.00 0.00 46.02 44.72 1b4m n GLY 100 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b4m n GLU 101 N -1.78 1.10 0.00 1.61 2.13 -1.26 -4.82 120.64 117.63 1b4m n GLU 101 Ca -0.00 -0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1b4m n GLU 101 Cb 0.01 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.42 1b4m n GLU 101 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1b4m n LYS 102 N -1.77 0.00 -3.13 5.31 -0.00 -1.26 -5.13 118.16 112.18 1b4m n LYS 102 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.10 1b4m n LYS 102 Cb 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.37 1b4m n LYS 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1b4m s GLU 103 N -2.00 2.96 -0.37 -1.58 -1.05 -1.26 -4.96 118.70 110.44 1b4m s GLU 103 Ca 0.00 -0.87 0.02 0.00 -0.15 0.00 0.00 54.97 53.98 1b4m s GLU 103 Cb 0.00 -2.68 0.11 0.00 -0.44 0.00 0.00 34.13 31.11 1b4m s GLU 103 CO 0.00 -0.21 0.12 -0.80 0.95 0.00 0.00 175.26 175.32 1b4m s ASN 104 N -4.26 4.36 0.00 0.83 -0.87 -1.26 -4.13 114.94 109.62 1b4m s ASN 104 Ca 0.50 -2.20 0.24 0.00 -1.57 0.00 0.00 52.86 49.83 1b4m s ASN 104 Cb -0.10 -1.35 0.90 0.00 -0.02 0.00 0.00 41.25 40.68 1b4m s ASN 104 CO 0.34 -0.35 1.64 0.54 -2.57 0.00 0.00 177.10 176.70 1b4m n ARG 105 N 4.16 1.69 -1.56 -0.60 5.12 -1.24 -0.69 116.66 123.55 1b4m n ARG 105 Ca 0.03 -1.02 -0.58 0.00 -1.93 0.00 0.00 57.85 54.35 1b4m n ARG 105 Cb 0.40 -1.43 -0.09 0.00 -1.16 0.00 0.00 32.46 30.18 1b4m n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b4m n GLY 106 N 1.15 0.48 3.51 -0.13 0.00 -1.21 -4.59 105.19 104.40 1b4m n GLY 106 Ca 0.17 0.98 -0.31 0.00 0.00 0.00 0.00 46.02 46.86 1b4m n GLY 106 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1b4m s TRP 107 N 4.93 2.69 0.25 1.61 -2.14 -1.26 -1.77 118.94 123.25 1b4m s TRP 107 Ca 1.07 -0.17 -0.22 0.00 2.66 0.00 0.00 56.10 59.44 1b4m s TRP 107 Cb -1.16 -1.52 0.03 0.00 -3.10 0.00 0.00 33.47 27.72 1b4m s TRP 107 CO 0.64 0.30 0.76 -1.59 -2.66 0.00 0.00 176.95 174.41 1b4m s LYS 108 N -1.45 1.66 0.06 3.25 -2.85 -0.92 -3.26 119.74 116.22 1b4m s LYS 108 Ca 0.16 -0.91 0.00 0.00 -1.00 0.00 0.00 55.97 54.22 1b4m s LYS 108 Cb -0.11 0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 1b4m s LYS 108 CO 0.06 -0.76 -0.04 1.14 0.10 0.00 0.00 175.35 175.85 1b4m s GLN 109 N -3.79 0.62 0.00 1.78 0.00 0.50 -2.76 119.66 116.00 1b4m s GLN 109 Ca 0.11 -1.11 0.00 0.00 -0.00 0.00 0.00 55.36 54.36 1b4m s GLN 109 Cb -0.05 0.03 0.00 0.00 0.00 0.00 0.00 33.01 32.99 1b4m s GLN 109 CO 0.06 -0.06 0.46 -2.67 0.00 0.00 0.00 175.29 173.08 1b4m n TRP 110 N 0.44 0.00 -3.90 9.60 2.14 -1.25 -3.53 117.44 120.94 1b4m n TRP 110 Ca -0.16 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.12 1b4m n TRP 110 Cb 0.59 0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 31.11 1b4m n TRP 110 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1b4m n VAL 111 N 0.00 -1.33 -1.60 -1.67 0.31 -1.26 -4.77 118.33 108.01 1b4m n VAL 111 Ca 0.00 -0.39 -0.39 0.00 -0.01 0.00 0.00 64.34 63.55 1b4m n VAL 111 Cb 0.53 -1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 32.26 1b4m n VAL 111 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1b4m s GLU 112 N -6.49 2.57 0.75 5.55 0.41 -0.60 -4.60 118.70 116.29 1b4m s GLU 112 Ca 0.19 1.65 0.00 0.00 -0.41 0.00 0.00 54.97 56.40 1b4m s GLU 112 Cb -0.11 -4.48 0.00 0.00 -1.78 0.00 0.00 34.13 27.76 1b4m s GLU 112 CO 0.70 -2.74 0.00 0.41 -0.49 0.00 0.00 175.26 173.14 1b4m n GLY 113 N 5.88 0.25 2.61 -1.39 0.00 -1.26 -2.72 105.19 108.56 1b4m n GLY 113 Ca 0.33 0.70 -0.14 0.00 0.00 0.00 0.00 46.02 46.92 1b4m n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 114 N 1.69 2.38 -3.57 1.61 9.92 -1.26 -5.07 116.55 122.25 1b4m n ASP 114 Ca 0.00 -2.96 0.03 0.00 -0.53 0.00 0.00 54.79 51.33 1b4m n ASP 114 Cb 0.00 -0.51 -0.00 0.00 -0.64 0.00 0.00 41.12 39.97 1b4m n ASP 114 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1b4m s LYS 115 N -3.28 0.03 -0.75 -1.24 0.00 -1.10 -2.53 119.74 110.87 1b4m s LYS 115 Ca 0.33 -0.01 0.02 0.00 0.00 0.00 0.00 55.97 56.30 1b4m s LYS 115 Cb 0.44 0.01 0.18 0.00 0.00 0.00 0.00 37.83 38.46 1b4m s LYS 115 CO -0.02 -0.01 0.57 -1.17 0.00 0.00 0.00 175.35 174.71 1b4m s LEU 116 N -2.84 5.07 -0.33 2.77 0.20 -1.26 -1.56 118.68 120.73 1b4m s LEU 116 Ca 0.14 -3.63 -0.32 0.00 0.69 0.00 0.00 54.13 51.01 1b4m s LEU 116 Cb 0.06 -1.75 -0.09 0.00 -0.43 0.00 0.00 46.19 43.98 1b4m s LEU 116 CO -0.06 -0.16 2.23 -1.22 -0.29 0.00 0.00 176.35 176.85 1b4m n TYR 117 N 2.35 1.68 -1.93 5.38 4.01 -1.26 -4.71 117.16 122.68 1b4m n TYR 117 Ca 0.18 0.14 -0.37 0.00 -0.16 0.00 0.00 57.90 57.69 1b4m n TYR 117 Cb 0.36 -2.60 -0.01 0.00 -0.31 0.00 0.00 39.34 36.78 1b4m n TYR 117 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1b4m n LEU 118 N 10.79 7.51 -4.78 7.72 0.00 -1.26 -3.79 117.00 133.20 1b4m n LEU 118 Ca 0.38 -4.72 -0.41 0.00 0.00 0.00 0.00 56.01 51.26 1b4m n LEU 118 Cb 0.31 -1.29 -0.00 0.00 0.00 0.00 0.00 43.42 42.44 1b4m n LEU 118 CO 0.73 1.96 1.09 -1.61 0.00 0.00 0.00 177.39 179.56 1b4m s GLU 119 N -1.84 4.12 0.16 1.96 2.02 -1.11 -4.29 118.70 119.72 1b4m s GLU 119 Ca 0.54 2.47 -0.17 0.00 0.02 0.00 0.00 54.97 57.83 1b4m s GLU 119 Cb 0.25 -2.96 0.03 0.00 0.10 0.00 0.00 34.13 31.56 1b4m s GLU 119 CO -0.15 -0.48 0.47 -0.48 0.02 0.00 0.00 175.26 174.63 1b4m s LEU 120 N -2.10 0.21 0.06 1.80 0.05 -0.83 -2.17 118.68 115.70 1b4m s LEU 120 Ca 0.53 -0.41 0.03 0.00 0.05 0.00 0.00 54.13 54.33 1b4m s LEU 120 Cb -0.45 2.00 -0.03 0.00 -2.05 0.00 0.00 46.19 45.66 1b4m s LEU 120 CO 0.60 -0.96 -0.09 0.28 -0.55 0.00 0.00 176.35 175.63 1b4m s THR 121 N -3.84 0.73 -0.03 5.48 -1.32 -0.73 0.30 115.64 116.23 1b4m s THR 121 Ca 0.07 -1.27 0.24 0.00 -1.21 0.00 0.00 61.69 59.51 1b4m s THR 121 Cb 0.00 -0.90 0.41 0.00 -1.51 0.00 0.00 72.50 70.50 1b4m s THR 121 CO -0.07 -0.41 1.16 0.00 -2.21 0.00 0.00 174.62 173.09 1b4m n GLY 123 N 0.35 2.83 2.74 0.00 0.00 0.14 -4.30 105.19 106.95 1b4m n GLY 123 Ca 0.04 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 1b4m n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 124 N 0.10 -2.64 0.00 1.61 8.00 -1.26 -4.70 116.55 117.66 1b4m n ASP 124 Ca 0.00 -3.07 0.00 0.00 0.71 0.00 0.00 54.79 52.43 1b4m n ASP 124 Cb 0.00 1.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 1b4m n ASP 124 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1b4m n GLN 125 N 1.61 0.00 -3.03 -1.24 -0.06 -1.26 -5.05 117.38 108.36 1b4m n GLN 125 Ca 0.08 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 55.02 1b4m n GLN 125 Cb 0.64 -0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.83 1b4m n GLN 125 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1b4m n VAL 126 N -2.49 -6.72 -2.31 1.69 3.14 -1.26 -4.94 118.33 105.43 1b4m n VAL 126 Ca 0.00 0.98 -0.42 0.00 -2.96 0.00 0.00 64.34 61.94 1b4m n VAL 126 Cb 0.00 -4.89 -0.03 0.00 -1.06 0.00 0.00 33.84 27.86 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b4m s ARG 128 N 1.89 3.62 0.98 0.00 1.81 -1.26 -1.97 118.95 124.01 1b4m s ARG 128 Ca 0.61 -3.25 -0.12 0.00 -1.72 0.00 0.00 55.73 51.24 1b4m s ARG 128 Cb -0.30 -4.18 0.11 0.00 -0.45 0.00 0.00 34.95 30.13 1b4m s ARG 128 CO 0.27 -1.26 0.72 1.04 -0.68 0.00 0.00 175.30 175.39 1b4m n GLN 129 N 2.48 -0.69 -3.32 3.54 1.13 -1.26 -4.48 117.38 114.77 1b4m n GLN 129 Ca 0.22 -0.15 -0.07 0.00 -1.94 0.00 0.00 57.00 55.05 1b4m n GLN 129 Cb 0.38 -2.08 -0.07 0.00 0.11 0.00 0.00 30.24 28.58 1b4m n GLN 129 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1b4m s VAL 130 N -2.48 -0.65 0.48 5.09 1.01 -1.17 -4.67 120.40 118.00 1b4m s VAL 130 Ca 0.62 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.59 1b4m s VAL 130 Cb -0.21 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1b4m s VAL 130 CO 0.63 -0.12 0.35 -0.36 0.00 0.00 0.00 175.10 175.61 1b4m s PHE 131 N 2.58 2.15 -0.22 5.22 0.40 -1.26 -1.56 117.98 125.29 1b4m s PHE 131 Ca 0.14 -0.69 -0.10 0.00 -0.60 0.00 0.00 56.93 55.68 1b4m s PHE 131 Cb -0.15 -2.00 0.08 0.00 0.51 0.00 0.00 43.02 41.46 1b4m s PHE 131 CO -0.17 -0.24 0.50 0.21 0.70 0.00 0.00 175.22 176.21 1b4m s LYS 132 N -4.16 0.45 -0.20 0.44 2.47 -1.26 -4.63 119.74 112.85 1b4m s LYS 132 Ca 0.40 1.04 -0.29 0.00 -1.56 0.00 0.00 55.97 55.56 1b4m s LYS 132 Cb -0.01 0.25 -0.03 0.00 -1.46 0.00 0.00 37.83 36.58 1b4m s LYS 132 CO 0.24 -0.19 1.55 0.21 0.16 0.00 0.00 175.35 177.31 1b4m s LYS 133 N 2.05 3.90 0.00 4.03 2.20 -1.05 -2.77 119.74 128.09 1b4m s LYS 133 Ca -0.07 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 1b4m s LYS 133 Cb -0.09 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 1b4m s LYS 133 CO -0.15 -1.16 0.00 0.36 -0.36 0.00 0.00 175.35 174.04