#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m n THR 2 N 0.00 0.33 0.00 2.03 -2.24 -1.26 -5.02 114.28 108.12 1b4m n THR 2 Ca 0.00 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1b4m n THR 2 Cb 0.00 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1b4m n THR 2 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1b4m n LYS 3 N -3.14 0.00 -2.61 -0.78 2.85 -1.26 -3.81 118.16 109.40 1b4m n LYS 3 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1b4m n LYS 3 Cb 0.13 -0.57 -0.02 0.00 -0.65 0.00 0.00 35.03 33.91 1b4m n LYS 3 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1b4m s ASP 4 N -3.29 6.61 -0.04 -5.58 -1.08 -1.26 -4.94 116.67 107.08 1b4m s ASP 4 Ca 0.00 -1.79 0.06 0.00 -0.52 0.00 0.00 52.55 50.30 1b4m s ASP 4 Cb 0.00 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.89 1b4m s ASP 4 CO 0.00 -1.36 -0.21 -1.10 0.52 0.00 0.00 175.17 173.01 1b4m s GLN 5 N 4.47 2.37 -0.61 4.34 -0.21 -1.26 -4.85 119.66 123.91 1b4m s GLN 5 Ca 0.46 -0.84 0.05 0.00 0.02 0.00 0.00 55.36 55.06 1b4m s GLN 5 Cb 0.00 -2.20 0.19 0.00 1.00 0.00 0.00 33.01 32.00 1b4m s GLN 5 CO -0.06 0.53 0.51 0.09 -2.12 0.00 0.00 175.29 174.25 1b4m n ASN 6 N 2.54 2.24 0.00 5.90 4.13 -1.26 -4.41 115.26 124.39 1b4m n ASN 6 Ca -0.17 -3.04 0.00 0.00 1.68 0.00 0.00 54.58 53.05 1b4m n ASN 6 Cb 0.52 -0.69 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b4m n GLY 7 N 1.91 5.25 3.50 7.41 0.00 -1.26 -5.09 105.19 116.92 1b4m n GLY 7 Ca 0.24 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 1b4m n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b4m s THR 8 N 2.58 0.00 -0.17 2.61 -1.32 -1.26 -4.16 115.64 113.92 1b4m s THR 8 Ca 0.00 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 1b4m s THR 8 Cb 0.00 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1b4m s THR 8 CO 0.00 0.00 0.36 0.26 -2.21 0.00 0.00 174.62 173.03 1b4m s TRP 9 N -1.76 -0.63 -0.78 9.09 0.52 0.34 -2.10 118.94 123.62 1b4m s TRP 9 Ca -0.08 1.28 -0.21 0.00 0.02 0.00 0.00 56.10 57.11 1b4m s TRP 9 Cb -0.00 0.19 0.09 0.00 -1.15 0.00 0.00 33.47 32.60 1b4m s TRP 9 CO 0.05 -0.40 1.05 -1.21 0.02 0.00 0.00 176.95 176.45 1b4m s GLU 10 N 2.24 3.33 0.29 4.98 2.02 -1.07 0.68 118.70 131.17 1b4m s GLU 10 Ca -0.03 -1.23 0.19 0.00 0.02 0.00 0.00 54.97 53.92 1b4m s GLU 10 Cb -0.11 -4.56 1.00 0.00 0.10 0.00 0.00 34.13 30.55 1b4m s GLU 10 CO -0.11 -1.81 1.09 -0.12 0.02 0.00 0.00 175.26 174.33 1b4m n MET 11 N 7.26 -0.03 0.00 1.61 1.56 -1.26 -3.93 117.12 122.33 1b4m n MET 11 Ca 0.09 0.91 0.00 0.00 -0.27 0.00 0.00 57.70 58.43 1b4m n MET 11 Cb 0.47 -1.72 0.00 0.00 2.15 0.00 0.00 33.22 34.12 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 -4.29 0.00 -4.31 2.12 2.13 -1.26 -3.51 120.64 111.52 1b4m n GLU 12 Ca 0.27 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.93 1b4m n GLU 12 Cb 1.01 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.62 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1b4m s SER 13 N -0.29 1.20 -0.09 4.31 0.01 -1.26 -5.05 113.70 112.53 1b4m s SER 13 Ca 0.00 -1.37 -0.07 0.00 1.31 0.00 0.00 55.95 55.81 1b4m s SER 13 Cb 0.00 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.42 1b4m s SER 13 CO 0.00 -0.72 0.24 0.20 0.41 0.00 0.00 173.24 173.36 1b4m s ASN 14 N -3.31 -0.25 0.00 2.44 0.01 -1.26 -3.79 114.94 108.79 1b4m s ASN 14 Ca 0.37 0.48 0.00 0.00 -0.71 0.00 0.00 52.86 53.00 1b4m s ASN 14 Cb 0.08 0.46 0.00 0.00 0.41 0.00 0.00 41.25 42.20 1b4m s ASN 14 CO 0.13 -0.10 0.01 -0.62 -1.51 0.00 0.00 177.10 175.02 1b4m n GLU 15 N 3.24 0.00 -3.71 -0.60 -0.58 -1.24 -4.88 120.64 112.86 1b4m n GLU 15 Ca -0.15 0.28 -0.37 0.00 -0.42 0.00 0.00 57.16 56.50 1b4m n GLU 15 Cb 0.57 -0.79 -0.06 0.00 -0.57 0.00 0.00 31.44 30.59 1b4m n GLU 15 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1b4m s ASN 16 N -2.13 6.58 0.08 1.62 2.47 -1.26 -4.93 114.94 117.36 1b4m s ASN 16 Ca 0.00 0.69 0.00 0.00 0.42 0.00 0.00 52.86 53.97 1b4m s ASN 16 Cb 0.00 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 1b4m s ASN 16 CO 0.00 0.35 0.00 0.33 -3.72 0.00 0.00 177.10 174.06 1b4m n PHE 17 N 1.77 -1.11 -0.03 0.43 7.35 -1.26 -4.81 117.46 119.80 1b4m n PHE 17 Ca -0.16 0.17 -0.13 0.00 -0.76 0.00 0.00 57.45 56.57 1b4m n PHE 17 Cb 0.54 0.69 -0.09 0.00 0.35 0.00 0.00 39.48 40.97 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 0.00 0.10 0.00 -4.13 4.22 -1.97 -2.38 114.58 110.42 1b4m h GLU 18 Ca 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 1b4m h GLU 18 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1b4m h GLU 18 CO 0.00 0.58 -0.00 0.78 -2.18 0.00 0.00 179.01 178.19 1b4m h GLY 19 N -0.38 0.00 1.37 1.92 0.00 -1.95 1.27 103.07 105.29 1b4m h GLY 19 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.02 1b4m h GLY 19 CO 0.01 0.00 -1.40 -1.82 0.00 0.00 0.00 176.54 173.33 1b4m h TYR 20 N 0.00 0.86 0.00 5.60 3.20 -1.85 0.18 116.97 124.95 1b4m h TYR 20 Ca -0.00 -0.62 -0.05 0.00 3.14 0.00 0.00 58.73 61.20 1b4m h TYR 20 Cb 0.02 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1b4m h TYR 20 CO 0.00 1.48 -0.25 1.98 -1.64 0.00 0.00 178.16 179.73 1b4m h MET 21 N 0.14 0.00 0.07 1.82 4.05 -0.06 -2.23 114.93 118.71 1b4m h MET 21 Ca -0.22 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 58.96 1b4m h MET 21 Cb 2.10 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.89 1b4m h MET 21 CO 0.25 0.25 -1.12 -0.22 0.23 0.00 0.00 176.91 176.30 1b4m h LYS 22 N 0.00 0.18 -0.68 0.39 3.11 0.15 0.19 116.57 119.91 1b4m h LYS 22 Ca -0.00 -0.29 -0.02 0.00 -2.81 0.00 0.00 60.65 57.53 1b4m h LYS 22 Cb 0.71 0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 32.01 1b4m h LYS 22 CO 0.03 1.12 0.35 0.00 -2.81 0.00 0.00 179.45 178.15 1b4m h ALA 23 N 0.75 1.35 -0.03 5.00 0.00 -0.01 -2.66 119.26 123.66 1b4m h ALA 23 Ca -0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1b4m h ALA 23 Cb 1.86 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1b4m h ALA 23 CO 0.17 0.52 -0.46 -0.07 0.00 0.00 0.00 179.25 179.42 1b4m h LEU 24 N 0.95 0.46 -0.67 0.00 -0.00 -1.61 -3.48 115.31 110.96 1b4m h LEU 24 Ca 0.24 -0.72 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1b4m h LEU 24 Cb 0.06 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.58 1b4m h LEU 24 CO -0.04 1.11 0.00 -0.67 -0.00 0.00 0.00 178.44 178.84 1b4m n ASP 25 N -4.32 -0.82 -1.47 -0.43 2.03 -1.00 -4.99 116.55 105.55 1b4m n ASP 25 Ca -0.09 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.26 1b4m n ASP 25 Cb 0.59 -0.20 0.32 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.63 2.60 -3.21 5.18 3.06 0.63 -4.97 119.36 122.03 1b4m n ILE 26 Ca 0.00 -1.72 -0.34 0.00 -2.50 0.00 0.00 62.75 58.19 1b4m n ILE 26 Cb 0.20 -0.29 -0.06 0.00 0.54 0.00 0.00 39.64 40.04 1b4m n ILE 26 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1b4m s ASP 27 N -1.40 6.85 -0.14 9.51 1.01 -1.23 -4.92 116.67 126.34 1b4m s ASP 27 Ca 0.49 1.23 0.02 0.00 0.71 0.00 0.00 52.55 55.01 1b4m s ASP 27 Cb 0.39 -2.35 0.07 0.00 1.01 0.00 0.00 42.92 42.05 1b4m s ASP 27 CO 0.12 -0.05 0.81 2.22 0.21 0.00 0.00 175.17 178.48 1b4m n PHE 28 N 0.24 -0.41 -2.82 4.23 1.16 -1.26 -4.96 117.46 113.64 1b4m n PHE 28 Ca -0.00 -0.46 -0.10 0.00 -1.87 0.00 0.00 57.45 55.02 1b4m n PHE 28 Cb 0.52 0.88 0.05 0.00 -1.61 0.00 0.00 39.48 39.32 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 -0.36 -1.03 -0.11 1.98 0.00 -1.26 -4.98 120.51 114.74 1b4m n ALA 29 Ca -0.11 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 1b4m n ALA 29 Cb 0.60 -1.79 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 1b4m n ALA 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b4m n THR 30 N -2.87 1.55 -0.46 0.00 -1.04 -1.26 -5.02 114.28 105.19 1b4m n THR 30 Ca -0.13 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.05 61.17 1b4m n THR 30 Cb 0.58 -1.76 0.28 0.00 -1.82 0.00 0.00 70.33 67.61 1b4m n THR 30 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1b4m n ARG 31 N -3.90 -4.34 -1.02 -2.82 0.00 -1.26 -4.02 116.66 99.31 1b4m n ARG 31 Ca -0.45 -1.51 -0.01 0.00 -0.00 0.00 0.00 57.85 55.89 1b4m n ARG 31 Cb 0.90 -1.78 -0.00 0.00 -0.00 0.00 0.00 32.46 31.58 1b4m n ARG 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1b4m n LYS 32 N -5.46 -0.47 0.02 2.89 3.00 -1.26 -4.59 118.16 112.29 1b4m n LYS 32 Ca 0.14 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1b4m n LYS 32 Cb 0.58 -3.58 0.00 0.00 0.00 0.00 0.00 35.03 32.03 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1b4m n ILE 33 N -2.77 0.00 1.76 3.15 5.41 -1.26 -4.89 119.36 120.77 1b4m n ILE 33 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.86 1b4m n ILE 33 Cb 0.13 -0.30 0.69 0.00 -0.71 0.00 0.00 39.64 39.45 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1b4m n ALA 34 N -2.63 2.52 -0.14 -1.39 0.00 -1.26 -3.55 120.51 114.07 1b4m n ALA 34 Ca 0.00 -0.15 0.27 0.00 0.00 0.00 0.00 53.44 53.56 1b4m n ALA 34 Cb 0.00 -1.38 0.72 0.00 0.00 0.00 0.00 19.45 18.79 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 0.00 0.58 0.00 0.00 2.07 -1.90 -3.42 116.25 113.58 1b4m h VAL 35 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1b4m h VAL 35 Cb 0.00 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1b4m h VAL 35 CO 0.00 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.45 1b4m n ARG 36 N -4.27 0.00 -3.20 1.57 0.63 -1.23 -4.89 116.66 105.27 1b4m n ARG 36 Ca 0.17 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1b4m n ARG 36 Cb 0.89 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.78 1b4m n ARG 36 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1b4m s LEU 37 N 0.00 -1.37 -1.00 6.15 2.34 -1.26 -4.93 118.68 118.60 1b4m s LEU 37 Ca 0.00 -0.27 -0.01 0.00 0.06 0.00 0.00 54.13 53.91 1b4m s LEU 37 Cb 0.00 1.77 -0.02 0.00 -0.56 0.00 0.00 46.19 47.39 1b4m s LEU 37 CO 0.00 -0.27 0.84 0.41 -1.06 0.00 0.00 176.35 176.27 1b4m n THR 38 N 5.08 -5.94 -2.08 5.48 -1.04 -1.26 -2.78 114.28 111.74 1b4m n THR 38 Ca 0.06 -0.63 -0.33 0.00 -2.04 0.00 0.00 64.05 61.12 1b4m n THR 38 Cb 0.53 -5.03 0.01 0.00 -1.82 0.00 0.00 70.33 64.03 1b4m n THR 38 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1b4m s GLN 39 N -4.91 3.35 0.00 -2.82 0.74 -1.26 -3.76 119.66 110.99 1b4m s GLN 39 Ca 0.10 1.21 0.00 0.00 0.05 0.00 0.00 55.36 56.73 1b4m s GLN 39 Cb -0.01 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 32.06 1b4m s GLN 39 CO 0.63 -0.78 0.00 2.41 -0.55 0.00 0.00 175.29 177.00 1b4m n THR 40 N -1.96 0.00 -4.65 -0.34 -1.04 -1.26 -4.78 114.28 100.25 1b4m n THR 40 Ca 0.09 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.77 1b4m n THR 40 Cb 0.53 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.92 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 2.48 0.15 -2.82 2.36 0.21 0.30 119.74 122.42 1b4m s LYS 41 Ca 0.00 -0.73 0.04 0.00 -2.55 0.00 0.00 55.97 52.73 1b4m s LYS 41 Cb 0.00 -2.42 -0.04 0.00 -1.05 0.00 0.00 37.83 34.31 1b4m s LYS 41 CO 0.00 0.61 -0.10 0.42 1.55 0.00 0.00 175.35 177.83 1b4m s ILE 42 N -0.88 1.17 0.07 5.43 1.09 0.47 0.13 121.20 128.68 1b4m s ILE 42 Ca 0.14 -2.05 0.05 0.00 -1.10 0.00 0.00 60.65 57.69 1b4m s ILE 42 Cb -0.11 -1.83 -0.03 0.00 -1.06 0.00 0.00 42.46 39.43 1b4m s ILE 42 CO 0.04 -0.74 -0.13 -0.51 -0.10 0.00 0.00 174.94 173.50 1b4m s ILE 43 N -3.30 1.05 0.11 2.92 -1.16 -1.26 0.64 121.20 120.20 1b4m s ILE 43 Ca 0.16 -1.33 0.00 0.00 -0.51 0.00 0.00 60.65 58.97 1b4m s ILE 43 Cb 0.02 -1.07 0.00 0.00 0.61 0.00 0.00 42.46 42.02 1b4m s ILE 43 CO 0.01 -0.28 0.00 0.52 -2.81 0.00 0.00 174.94 172.37 1b4m n VAL 44 N 1.19 0.23 -3.13 4.00 0.31 -1.26 -4.08 118.33 115.60 1b4m n VAL 44 Ca -0.21 0.08 -0.05 0.00 -0.01 0.00 0.00 64.34 64.15 1b4m n VAL 44 Cb 0.55 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 -3.09 -1.14 -1.91 5.55 7.27 -1.26 -4.66 117.38 118.12 1b4m n GLN 45 Ca 0.00 1.27 -0.33 0.00 0.07 0.00 0.00 57.00 58.01 1b4m n GLN 45 Cb 0.10 -2.09 0.04 0.00 2.41 0.00 0.00 30.24 30.69 1b4m n GLN 45 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1b4m n ASP 46 N 0.96 6.53 -1.52 1.69 -0.08 -0.91 -4.86 116.55 118.35 1b4m n ASP 46 Ca -0.01 -3.79 -0.00 0.00 -1.51 0.00 0.00 54.79 49.49 1b4m n ASP 46 Cb 0.43 -0.79 -0.00 0.00 2.34 0.00 0.00 41.12 43.09 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b4m n GLY 47 N -0.65 -2.90 4.23 0.27 0.00 -1.26 -4.57 105.19 100.31 1b4m n GLY 47 Ca 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1b4m n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 48 N 0.02 0.00 -4.19 1.61 8.00 -1.26 -4.89 116.55 115.85 1b4m n ASP 48 Ca -0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 1b4m n ASP 48 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 1b4m n ASP 48 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1b4m s ASN 49 N 0.00 5.52 -0.52 -2.24 0.01 -1.26 -1.15 114.94 115.31 1b4m s ASN 49 Ca 0.00 -1.88 -0.16 0.00 -0.71 0.00 0.00 52.86 50.11 1b4m s ASN 49 Cb 0.00 -1.94 0.11 0.00 0.41 0.00 0.00 41.25 39.83 1b4m s ASN 49 CO 0.00 -0.61 0.47 0.12 -1.51 0.00 0.00 177.10 175.57 1b4m s PHE 50 N 1.29 3.23 -0.73 2.20 5.36 -0.11 -2.15 117.98 127.08 1b4m s PHE 50 Ca 0.06 -1.13 0.04 0.00 -0.96 0.00 0.00 56.93 54.94 1b4m s PHE 50 Cb -0.24 -3.57 0.28 0.00 -0.34 0.00 0.00 43.02 39.15 1b4m s PHE 50 CO -0.02 -0.95 0.98 1.63 -1.46 0.00 0.00 175.22 175.41 1b4m n LYS 51 N 5.29 3.19 -1.69 10.12 5.02 -1.25 -1.45 118.16 137.40 1b4m n LYS 51 Ca -0.13 -4.69 -0.44 0.00 -2.02 0.00 0.00 58.31 51.03 1b4m n LYS 51 Cb 0.42 -2.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 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 0.67 0.30 -4.23 -0.18 -1.04 -1.15 -4.31 114.28 104.33 1b4m n THR 52 Ca 0.30 -0.05 -0.18 0.00 -2.04 0.00 0.00 64.05 62.08 1b4m n THR 52 Cb 0.38 -1.99 -0.11 0.00 -1.82 0.00 0.00 70.33 66.79 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 2.44 1.00 0.38 -2.82 -2.85 0.21 0.12 119.74 118.22 1b4m s LYS 53 Ca 0.82 -1.21 0.08 0.00 -1.00 0.00 0.00 55.97 54.66 1b4m s LYS 53 Cb -0.54 -0.89 -0.02 0.00 -2.06 0.00 0.00 37.83 34.32 1b4m s LYS 53 CO 0.38 0.17 0.33 0.99 0.10 0.00 0.00 175.35 177.33 1b4m s THR 54 N -2.06 3.10 -0.25 3.79 2.01 -1.26 0.18 115.64 121.14 1b4m s THR 54 Ca 0.08 -1.36 0.21 0.00 0.31 0.00 0.00 61.69 60.93 1b4m s THR 54 Cb -0.05 -3.09 0.50 0.00 0.01 0.00 0.00 72.50 69.87 1b4m s THR 54 CO 0.03 -0.09 1.12 -3.20 -0.69 0.00 0.00 174.62 171.79 1b4m n ASN 55 N -1.46 1.88 -4.81 3.53 2.85 0.15 -4.68 115.26 112.72 1b4m n ASN 55 Ca 0.01 -2.20 -0.33 0.00 -0.11 0.00 0.00 54.58 51.95 1b4m n ASN 55 Cb 0.61 -0.46 -0.00 0.00 1.24 0.00 0.00 39.78 41.17 1b4m n ASN 55 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1b4m s SER 56 N -3.72 6.00 0.00 1.20 0.01 -1.26 -4.58 113.70 111.36 1b4m s SER 56 Ca 0.30 1.77 0.29 0.00 1.31 0.00 0.00 55.95 59.62 1b4m s SER 56 Cb 0.33 -2.53 1.33 0.00 0.21 0.00 0.00 66.02 65.37 1b4m s SER 56 CO -0.04 -1.02 1.91 0.35 0.41 0.00 0.00 173.24 174.85 1b4m n THR 57 N -1.86 0.00 -0.01 1.44 -2.24 -1.12 -4.16 114.28 106.33 1b4m n THR 57 Ca 0.08 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 1b4m n THR 57 Cb 0.53 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1b4m n THR 57 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1b4m n PHE 58 N -0.51 0.00 -3.74 4.78 -1.74 -1.26 -5.06 117.46 109.93 1b4m n PHE 58 Ca 0.19 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.93 1b4m n PHE 58 Cb 0.26 -0.09 -0.15 0.00 1.52 0.00 0.00 39.48 41.02 1b4m n PHE 58 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1b4m s ARG 59 N -2.05 0.05 0.00 3.97 1.81 -1.26 -5.14 118.95 116.34 1b4m s ARG 59 Ca -0.03 0.37 0.00 0.00 -1.72 0.00 0.00 55.73 54.35 1b4m s ARG 59 Cb 0.01 -0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.29 1b4m s ARG 59 CO 0.05 -0.20 0.00 -1.71 -0.68 0.00 0.00 175.30 172.77 1b4m n ASN 60 N 4.43 1.31 -2.74 0.23 2.85 -1.26 -4.10 115.26 115.97 1b4m n ASN 60 Ca -0.22 -0.17 -0.05 0.00 -0.11 0.00 0.00 54.58 54.02 1b4m n ASN 60 Cb 0.51 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.54 1b4m n ASN 60 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1b4m n TYR 61 N -0.06 -3.53 -0.03 1.20 4.19 -1.26 -4.95 117.16 112.71 1b4m n TYR 61 Ca 0.00 1.48 -0.03 0.00 3.31 0.00 0.00 57.90 62.66 1b4m n TYR 61 Cb 0.00 -3.96 -0.01 0.00 0.49 0.00 0.00 39.34 35.86 1b4m n TYR 61 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1b4m n ASP 62 N 0.05 0.77 -2.69 2.98 2.03 -1.26 -4.93 116.55 113.50 1b4m n ASP 62 Ca 0.07 0.18 -0.05 0.00 0.52 0.00 0.00 54.79 55.51 1b4m n ASP 62 Cb 0.28 -0.61 0.04 0.00 -0.72 0.00 0.00 41.12 40.12 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1b4m n LEU 63 N -3.27 2.08 -4.55 -2.67 7.94 0.33 -5.01 117.00 111.85 1b4m n LEU 63 Ca -0.05 -3.42 -0.34 0.00 -1.11 0.00 0.00 56.01 51.09 1b4m n LEU 63 Cb 0.19 0.34 -0.04 0.00 0.53 0.00 0.00 43.42 44.44 1b4m n LEU 63 CO 0.08 1.29 1.73 -1.81 -1.11 0.00 0.00 177.39 177.56 1b4m s ASP 64 N -3.67 4.74 0.29 1.96 1.01 -1.25 -2.95 116.67 116.81 1b4m s ASP 64 Ca 0.31 0.54 0.06 0.00 0.71 0.00 0.00 52.55 54.17 1b4m s ASP 64 Cb 0.36 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 1b4m s ASP 64 CO -0.02 -2.80 0.26 0.49 0.21 0.00 0.00 175.17 173.31 1b4m n PHE 65 N 14.90 -0.73 -3.67 4.23 3.01 -0.53 -4.97 117.46 129.69 1b4m n PHE 65 Ca 0.32 -2.38 -0.10 0.00 1.01 0.00 0.00 57.45 56.30 1b4m n PHE 65 Cb 0.52 0.27 -0.11 0.00 -0.01 0.00 0.00 39.48 40.15 1b4m n PHE 65 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1b4m s THR 66 N -3.13 -0.48 0.48 4.37 2.01 -1.26 -0.94 115.64 116.70 1b4m s THR 66 Ca 0.34 0.18 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 1b4m s THR 66 Cb 0.01 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.86 1b4m s THR 66 CO 0.24 0.08 1.39 -0.69 -0.69 0.00 0.00 174.62 174.94 1b4m s VAL 67 N 2.33 2.14 -1.00 3.82 1.01 -0.30 -2.91 120.40 125.49 1b4m s VAL 67 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1b4m s VAL 67 Cb -0.11 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1b4m s VAL 67 CO -0.12 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1b4m n GLY 68 N 0.63 1.01 0.13 4.51 0.00 0.17 -4.83 105.19 106.80 1b4m n GLY 68 Ca 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.94 1b4m n GLY 68 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1b4m h VAL 69 N 0.00 0.88 -4.40 1.61 2.07 -1.74 -3.48 116.25 111.19 1b4m h VAL 69 Ca -0.19 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1b4m h VAL 69 Cb 0.92 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1b4m h VAL 69 CO 0.28 0.50 -0.23 1.21 0.02 0.00 0.00 177.57 179.36 1b4m n GLU 70 N -3.20 -1.29 -1.58 1.57 2.13 -1.26 -4.77 120.64 112.24 1b4m n GLU 70 Ca 0.01 1.40 -0.34 0.00 0.66 0.00 0.00 57.16 58.89 1b4m n GLU 70 Cb 0.76 -4.06 -0.03 0.00 0.27 0.00 0.00 31.44 28.38 1b4m n GLU 70 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1b4m s PHE 71 N -2.22 1.10 -0.80 4.31 0.40 -0.86 -4.80 117.98 115.11 1b4m s PHE 71 Ca 0.12 1.59 -0.24 0.00 -0.60 0.00 0.00 56.93 57.80 1b4m s PHE 71 Cb -0.03 -3.58 -0.17 0.00 0.51 0.00 0.00 43.02 39.74 1b4m s PHE 71 CO 0.46 -2.42 1.89 -0.25 0.70 0.00 0.00 175.22 175.60 1b4m n ASP 72 N 16.11 2.43 0.00 1.36 8.00 -1.26 -0.30 116.55 142.89 1b4m n ASP 72 Ca 0.37 -2.65 0.00 0.00 0.71 0.00 0.00 54.79 53.22 1b4m n ASP 72 Cb 0.54 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1b4m n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1b4m n GLU 73 N 7.52 0.00 -2.03 -1.24 1.02 -0.96 -4.86 120.64 120.09 1b4m n GLU 73 Ca 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.61 1b4m n GLU 73 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 1b4m n GLU 73 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1b4m n HIS 74 N 0.00 -1.67 -4.19 -0.32 8.25 -1.26 -4.78 115.22 111.25 1b4m n HIS 74 Ca 0.00 0.73 -0.29 0.00 -0.26 0.00 0.00 57.72 57.90 1b4m n HIS 74 Cb 0.00 -2.58 -0.17 0.00 1.12 0.00 0.00 29.99 28.36 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 -0.90 1.42 0.19 1.59 -4.23 -1.24 -5.02 115.64 107.45 1b4m s THR 75 Ca 0.02 -0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 1b4m s THR 75 Cb -0.01 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 1b4m s THR 75 CO 0.33 0.43 0.15 -0.54 -0.54 0.00 0.00 174.62 174.45 1b4m s LYS 76 N 1.30 1.18 -0.71 3.99 -0.14 -1.26 -2.87 119.74 121.23 1b4m s LYS 76 Ca -0.00 -1.55 -0.02 0.00 -1.36 0.00 0.00 55.97 53.04 1b4m s LYS 76 Cb -0.14 0.29 0.00 0.00 -1.68 0.00 0.00 37.83 36.30 1b4m s LYS 76 CO -0.06 -0.39 0.24 0.41 -0.76 0.00 0.00 175.35 174.80 1b4m n GLY 77 N -0.24 0.13 0.00 -3.33 0.00 -1.26 -4.71 105.19 95.77 1b4m n GLY 77 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1b4m n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b4m n LEU 78 N -1.88 0.00 0.17 0.99 7.94 -1.26 -5.08 117.00 117.88 1b4m n LEU 78 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1b4m n LEU 78 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1b4m n LEU 78 CO 0.20 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.81 1b4m n ASP 79 N -1.12 -2.55 -0.18 1.96 2.03 -1.26 -4.66 116.55 110.77 1b4m n ASP 79 Ca 0.00 0.63 0.00 0.00 0.52 0.00 0.00 54.79 55.94 1b4m n ASP 79 Cb 0.00 2.50 0.00 0.00 -0.72 0.00 0.00 41.12 42.90 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 -0.78 0.59 0.00 0.27 0.00 -1.14 -5.04 105.19 99.09 1b4m n GLY 80 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1b4m n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1b4m n ARG 81 N -0.08 0.59 -3.15 1.61 1.85 -1.14 -5.04 116.66 111.31 1b4m n ARG 81 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 1b4m n ARG 81 Cb 0.02 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.42 1b4m n ARG 81 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1b4m s ASN 82 N 1.00 -1.50 -0.07 2.89 3.04 -1.26 -3.71 114.94 115.33 1b4m s ASN 82 Ca 0.00 0.54 -0.04 0.00 0.04 0.00 0.00 52.86 53.39 1b4m s ASN 82 Cb 0.00 2.10 0.03 0.00 -1.54 0.00 0.00 41.25 41.84 1b4m s ASN 82 CO 0.00 -0.28 0.16 -0.69 -3.04 0.00 0.00 177.10 173.25 1b4m s VAL 83 N 2.85 -0.02 0.43 -5.21 1.01 -1.26 -4.72 120.40 113.47 1b4m s VAL 83 Ca 0.16 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 1b4m s VAL 83 Cb -0.12 -0.25 -0.11 0.00 0.00 0.00 0.00 36.38 35.90 1b4m s VAL 83 CO -0.23 0.03 0.77 1.17 0.00 0.00 0.00 175.10 176.84 1b4m n LYS 84 N 3.57 0.91 -2.96 2.72 3.00 -1.26 -2.27 118.16 121.87 1b4m n LYS 84 Ca -0.19 0.33 -0.15 0.00 -0.00 0.00 0.00 58.31 58.30 1b4m n LYS 84 Cb 0.56 -1.77 0.01 0.00 0.00 0.00 0.00 35.03 33.82 1b4m n LYS 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1b4m n THR 85 N -0.76 -0.24 -1.88 3.15 -1.04 0.59 -2.01 114.28 112.10 1b4m n THR 85 Ca 0.11 -2.81 -0.41 0.00 -2.04 0.00 0.00 64.05 58.90 1b4m n THR 85 Cb 0.40 0.16 -0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 -1.48 4.30 -0.02 -4.42 0.20 -1.24 -2.02 118.68 114.00 1b4m s LEU 86 Ca 0.32 2.94 0.02 0.00 0.69 0.00 0.00 54.13 58.11 1b4m s LEU 86 Cb 0.25 -3.72 0.00 0.00 -0.43 0.00 0.00 46.19 42.29 1b4m s LEU 86 CO -0.14 -0.85 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.29 1b4m s VAL 87 N -1.15 0.77 0.09 1.68 1.01 -1.26 -0.97 120.40 120.56 1b4m s VAL 87 Ca 0.53 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 1b4m s VAL 87 Cb -0.44 -0.68 0.07 0.00 0.00 0.00 0.00 36.38 35.32 1b4m s VAL 87 CO 0.59 0.24 0.62 0.28 0.00 0.00 0.00 175.10 176.83 1b4m s THR 88 N 0.18 0.00 0.15 3.92 -1.32 0.15 0.41 115.64 119.14 1b4m s THR 88 Ca -0.03 -0.01 -0.14 0.00 -1.21 0.00 0.00 61.69 60.30 1b4m s THR 88 Cb -0.08 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.84 1b4m s THR 88 CO 0.00 -0.01 0.55 0.26 -2.21 0.00 0.00 174.62 173.21 1b4m s TRP 89 N -2.90 3.59 -1.27 9.09 0.52 -1.26 -0.07 118.94 126.64 1b4m s TRP 89 Ca -0.03 1.04 0.22 0.00 0.02 0.00 0.00 56.10 57.36 1b4m s TRP 89 Cb -0.01 -2.36 0.03 0.00 -1.15 0.00 0.00 33.47 29.98 1b4m s TRP 89 CO -0.05 0.42 1.09 -1.91 0.02 0.00 0.00 176.95 176.51 1b4m n GLU 90 N 0.73 0.32 0.00 4.98 4.07 0.53 -4.85 120.64 126.42 1b4m n GLU 90 Ca -0.05 -0.25 0.00 0.00 -0.06 0.00 0.00 57.16 56.80 1b4m n GLU 90 Cb 0.52 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.40 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1b4m n GLY 91 N 1.47 2.27 2.69 8.31 0.00 -1.26 -4.81 105.19 113.86 1b4m n GLY 91 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.52 0.00 1.61 6.94 -1.26 -4.52 115.26 116.51 1b4m n ASN 92 Ca 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 1b4m n ASN 92 Cb 0.00 0.78 0.00 0.00 -2.36 0.00 0.00 39.78 38.20 1b4m n ASN 92 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1b4m n THR 93 N -1.05 0.00 -2.86 5.53 5.66 -1.25 -4.48 114.28 115.82 1b4m n THR 93 Ca -0.10 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.47 1b4m n THR 93 Cb 0.86 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.63 1b4m n THR 93 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1b4m s LEU 94 N 0.00 4.77 -0.06 1.09 2.96 -1.26 0.20 118.68 126.37 1b4m s LEU 94 Ca 0.00 -2.58 -0.29 0.00 -0.22 0.00 0.00 54.13 51.04 1b4m s LEU 94 Cb 0.00 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1b4m s LEU 94 CO 0.00 -0.94 0.95 -0.69 -1.32 0.00 0.00 176.35 174.35 1b4m s VAL 95 N 2.46 4.85 0.00 1.68 1.01 0.90 -2.69 120.40 128.62 1b4m s VAL 95 Ca 0.42 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.36 1b4m s VAL 95 Cb -0.02 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 1b4m s VAL 95 CO -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 175.10 175.16 1b4m s VAL 97 N -0.22 2.33 -0.63 0.00 1.01 -0.15 -3.87 120.40 118.87 1b4m s VAL 97 Ca -0.02 -3.07 -0.26 0.00 0.00 0.00 0.00 61.98 58.64 1b4m s VAL 97 Cb -0.02 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1b4m s VAL 97 CO -0.00 -0.79 2.09 -1.10 0.00 0.00 0.00 175.10 175.30 1b4m s GLN 98 N -0.04 2.36 0.28 2.72 -1.52 -1.26 -3.70 119.66 118.50 1b4m s GLN 98 Ca 0.16 0.73 -0.06 0.00 -1.95 0.00 0.00 55.36 54.25 1b4m s GLN 98 Cb -0.25 -4.57 0.51 0.00 -0.22 0.00 0.00 33.01 28.48 1b4m s GLN 98 CO -0.01 -3.14 1.51 1.17 -0.25 0.00 0.00 175.29 174.56 1b4m n LYS 99 N 9.06 -0.08 0.00 2.91 0.00 -0.85 -4.19 118.16 125.01 1b4m n LYS 99 Ca 0.30 1.49 0.00 0.00 0.00 0.00 0.00 58.31 60.10 1b4m n LYS 99 Cb 0.52 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.29 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 -1.58 -1.31 0.16 3.14 0.00 -1.26 -4.93 105.19 99.41 1b4m n GLY 100 Ca 0.17 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 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 0.52 0.59 -0.32 1.61 2.13 -1.26 -4.78 120.64 119.13 1b4m n GLU 101 Ca 0.00 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1b4m n GLU 101 Cb 0.00 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.24 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 -3.85 0.00 -3.51 5.31 -0.00 -1.26 -5.12 118.16 109.73 1b4m n LYS 102 Ca -0.50 -0.57 -0.09 0.00 -0.00 0.00 0.00 58.31 57.16 1b4m n LYS 102 Cb 0.91 -0.34 0.01 0.00 -0.00 0.00 0.00 35.03 35.61 1b4m n LYS 102 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1b4m n GLU 103 N 0.00 0.93 -3.81 -1.58 -0.00 -1.26 -4.97 120.64 109.95 1b4m n GLU 103 Ca 0.00 -2.08 -0.29 0.00 -0.00 0.00 0.00 57.16 54.78 1b4m n GLU 103 Cb 0.59 2.45 -0.13 0.00 -0.00 0.00 0.00 31.44 34.35 1b4m n GLU 103 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1b4m s ASN 104 N -2.86 3.94 0.00 -1.84 -0.87 -1.26 -4.15 114.94 107.90 1b4m s ASN 104 Ca 0.17 -2.95 0.23 0.00 -1.57 0.00 0.00 52.86 48.74 1b4m s ASN 104 Cb -0.04 -1.30 0.69 0.00 -0.02 0.00 0.00 41.25 40.58 1b4m s ASN 104 CO 0.12 -0.23 1.53 0.54 -2.57 0.00 0.00 177.10 176.50 1b4m n ARG 105 N 3.15 1.93 -1.35 -0.60 5.12 -1.25 -0.34 116.66 123.32 1b4m n ARG 105 Ca 0.10 -1.38 -0.36 0.00 -1.93 0.00 0.00 57.85 54.27 1b4m n ARG 105 Cb 0.34 -1.45 -0.14 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.24 -0.44 3.47 -0.13 0.00 -1.24 -4.36 105.19 103.72 1b4m n GLY 106 Ca 0.17 0.98 -0.34 0.00 0.00 0.00 0.00 46.02 46.83 1b4m n GLY 106 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b4m s TRP 107 N 7.64 3.04 0.05 1.61 -0.00 -1.25 -1.13 118.94 128.90 1b4m s TRP 107 Ca 1.22 -0.39 -0.18 0.00 -0.00 0.00 0.00 56.10 56.75 1b4m s TRP 107 Cb -1.11 -2.03 0.04 0.00 -0.00 0.00 0.00 33.47 30.36 1b4m s TRP 107 CO 0.44 -0.15 0.42 -1.59 -0.00 0.00 0.00 176.95 176.07 1b4m s LYS 108 N 0.74 0.94 0.52 5.86 -2.85 -1.18 -3.24 119.74 120.52 1b4m s LYS 108 Ca -0.01 -0.37 0.02 0.00 -1.00 0.00 0.00 55.97 54.62 1b4m s LYS 108 Cb -0.14 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1b4m s LYS 108 CO 0.02 -0.33 0.20 1.04 0.10 0.00 0.00 175.35 176.38 1b4m n GLN 109 N 0.45 0.75 0.00 1.78 3.00 -1.09 -1.92 117.38 120.34 1b4m n GLN 109 Ca -0.18 -3.49 0.00 0.00 -0.01 0.00 0.00 57.00 53.32 1b4m n GLN 109 Cb 0.60 0.66 0.00 0.00 0.00 0.00 0.00 30.24 31.51 1b4m n GLN 109 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 1b4m n TRP 110 N -1.50 0.00 -0.55 1.08 2.14 -1.24 -4.42 117.44 112.96 1b4m n TRP 110 Ca -0.11 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.29 1b4m n TRP 110 Cb 0.62 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.06 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 0.00 -4.00 -1.67 0.31 -1.26 -4.49 118.33 107.22 1b4m n VAL 111 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1b4m n VAL 111 Cb 0.00 -0.19 -0.01 0.00 -0.91 0.00 0.00 33.84 32.73 1b4m n VAL 111 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b4m n GLU 112 N 3.14 0.68 -0.29 5.55 -0.58 -1.13 -4.96 120.64 123.05 1b4m n GLU 112 Ca 0.24 -3.50 0.00 0.00 -0.42 0.00 0.00 57.16 53.48 1b4m n GLU 112 Cb 0.01 0.45 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 1b4m n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b4m n GLY 113 N -1.62 0.00 3.73 0.62 0.00 -1.26 -2.56 105.19 104.10 1b4m n GLY 113 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 1.13 -5.15 0.00 1.61 8.00 -1.26 -4.95 116.55 115.92 1b4m n ASP 114 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1b4m n ASP 114 Cb 0.10 -2.19 0.00 0.00 -0.02 0.00 0.00 41.12 39.01 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1b4m n LYS 115 N -2.86 0.00 -4.05 -1.24 2.85 -1.06 -4.19 118.16 107.60 1b4m n LYS 115 Ca -0.25 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.72 1b4m n LYS 115 Cb 0.65 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.97 1b4m n LYS 115 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1b4m s LEU 116 N 0.00 3.84 -0.44 -5.58 0.20 -1.26 -2.85 118.68 112.58 1b4m s LEU 116 Ca 0.00 -0.03 -0.03 0.00 0.69 0.00 0.00 54.13 54.77 1b4m s LEU 116 Cb 0.00 -2.50 0.12 0.00 -0.43 0.00 0.00 46.19 43.38 1b4m s LEU 116 CO 0.00 0.14 0.24 -0.31 -0.29 0.00 0.00 176.35 176.13 1b4m s TYR 117 N -1.51 3.56 -1.27 5.38 2.02 -1.26 -3.86 117.35 120.41 1b4m s TYR 117 Ca 0.30 -2.48 -0.14 0.00 -0.37 0.00 0.00 57.07 54.38 1b4m s TYR 117 Cb -0.12 -3.22 0.13 0.00 -0.40 0.00 0.00 41.96 38.36 1b4m s TYR 117 CO 0.23 -0.95 1.66 1.28 -1.57 0.00 0.00 175.55 176.20 1b4m n LEU 118 N 4.39 5.51 -4.45 -1.29 4.77 -1.26 -3.59 117.00 121.07 1b4m n LEU 118 Ca -0.00 -4.30 -0.43 0.00 -0.03 0.00 0.00 56.01 51.24 1b4m n LEU 118 Cb 0.41 -1.64 -0.03 0.00 -2.33 0.00 0.00 43.42 39.82 1b4m n LEU 118 CO 0.33 0.69 0.86 -1.61 -1.33 0.00 0.00 177.39 176.33 1b4m s GLU 119 N 2.30 3.34 0.36 3.23 2.02 -0.81 -3.26 118.70 125.87 1b4m s GLU 119 Ca 0.46 -1.28 0.08 0.00 0.02 0.00 0.00 54.97 54.25 1b4m s GLU 119 Cb 0.03 -4.57 -0.04 0.00 0.10 0.00 0.00 34.13 29.64 1b4m s GLU 119 CO 0.02 -1.80 0.19 -0.48 0.02 0.00 0.00 175.26 173.21 1b4m s LEU 120 N 3.41 3.30 0.20 1.80 0.05 -0.73 -3.13 118.68 123.59 1b4m s LEU 120 Ca 0.27 -0.77 0.10 0.00 0.05 0.00 0.00 54.13 53.78 1b4m s LEU 120 Cb -0.11 -1.79 -0.04 0.00 -2.05 0.00 0.00 46.19 42.19 1b4m s LEU 120 CO 0.01 -0.37 -0.20 -0.89 -0.55 0.00 0.00 176.35 174.34 1b4m s THR 121 N -2.44 2.16 -0.44 5.48 2.01 -0.28 0.22 115.64 122.35 1b4m s THR 121 Ca 0.39 -2.10 0.06 0.00 0.31 0.00 0.00 61.69 60.35 1b4m s THR 121 Cb -0.02 -2.07 0.32 0.00 0.01 0.00 0.00 72.50 70.74 1b4m s THR 121 CO 0.24 -0.29 1.16 0.00 -0.69 0.00 0.00 174.62 175.04 1b4m n GLY 123 N 0.37 0.92 2.15 0.00 0.00 -0.07 -3.86 105.19 104.70 1b4m n GLY 123 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 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 1.26 -2.94 0.03 1.61 9.92 -1.26 -4.90 116.55 120.27 1b4m n ASP 124 Ca 0.00 0.03 -0.04 0.00 -0.53 0.00 0.00 54.79 54.25 1b4m n ASP 124 Cb 0.34 -2.03 -0.10 0.00 -0.64 0.00 0.00 41.12 38.69 1b4m n ASP 124 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1b4m h GLN 125 N 0.00 0.00 -3.45 -1.24 7.50 -1.91 -3.50 115.11 112.51 1b4m h GLN 125 Ca -0.17 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.98 1b4m h GLN 125 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.53 1b4m h GLN 125 CO 0.21 0.52 -0.29 1.55 -1.50 0.00 0.00 178.83 179.31 1b4m n VAL 126 N -3.07 -4.13 -3.95 -0.54 3.14 -1.26 -4.94 118.33 103.57 1b4m n VAL 126 Ca -0.09 1.05 -0.35 0.00 -2.96 0.00 0.00 64.34 61.99 1b4m n VAL 126 Cb 0.93 -2.04 -0.14 0.00 -1.06 0.00 0.00 33.84 31.53 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 1.42 2.26 0.86 0.00 3.00 -1.26 -1.77 118.95 123.45 1b4m s ARG 128 Ca 0.05 -1.87 -0.13 0.00 -1.00 0.00 0.00 55.73 52.78 1b4m s ARG 128 Cb -0.14 -3.75 0.12 0.00 0.00 0.00 0.00 34.95 31.18 1b4m s ARG 128 CO -0.03 -1.13 1.22 -0.65 0.00 0.00 0.00 175.30 174.70 1b4m s GLN 129 N 1.10 1.54 0.02 5.12 -0.21 -1.20 -3.72 119.66 122.31 1b4m s GLN 129 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 55.36 55.43 1b4m s GLN 129 Cb -0.24 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 31.84 1b4m s GLN 129 CO -0.03 -1.86 -0.01 0.08 -2.12 0.00 0.00 175.29 171.35 1b4m s VAL 130 N -3.64 0.09 0.26 1.09 1.01 -1.25 -4.61 120.40 113.35 1b4m s VAL 130 Ca 0.65 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1b4m s VAL 130 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 1b4m s VAL 130 CO 0.50 -0.42 0.19 0.49 0.00 0.00 0.00 175.10 175.86 1b4m n PHE 131 N 1.78 -0.46 -3.15 5.22 3.01 -1.23 -4.49 117.46 118.15 1b4m n PHE 131 Ca -0.22 -2.05 0.04 0.00 1.01 0.00 0.00 57.45 56.23 1b4m n PHE 131 Cb 0.56 0.17 -0.01 0.00 -0.01 0.00 0.00 39.48 40.20 1b4m n PHE 131 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1b4m s LYS 132 N -3.03 0.49 -1.09 -1.08 2.47 -1.25 -4.79 119.74 111.45 1b4m s LYS 132 Ca 0.27 0.68 -0.23 0.00 -1.56 0.00 0.00 55.97 55.13 1b4m s LYS 132 Cb 0.01 0.36 -0.12 0.00 -1.46 0.00 0.00 37.83 36.62 1b4m s LYS 132 CO 0.19 -0.72 1.94 1.17 0.16 0.00 0.00 175.35 178.10 1b4m n LYS 133 N 5.40 1.39 -0.40 4.03 4.81 -1.26 -2.58 118.16 129.55 1b4m n LYS 133 Ca 0.02 -2.27 0.00 0.00 -0.87 0.00 0.00 58.31 55.18 1b4m n LYS 133 Cb 0.53 -3.61 0.00 0.00 0.02 0.00 0.00 35.03 31.97 1b4m n LYS 133 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74