#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 -4.01 -1.01 3.17 -1.04 -1.26 -5.00 114.28 105.13 1b4m n THR 2 Ca 0.00 1.24 0.13 0.00 -2.04 0.00 0.00 64.05 63.38 1b4m n THR 2 Cb 0.00 -2.42 -0.04 0.00 -1.82 0.00 0.00 70.33 66.06 1b4m n THR 2 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1b4m n LYS 3 N 0.15 -2.00 -2.78 -2.82 5.02 -1.26 -4.99 118.16 109.48 1b4m n LYS 3 Ca 0.00 1.35 -0.01 0.00 -2.02 0.00 0.00 58.31 57.64 1b4m n LYS 3 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 1b4m n LYS 3 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1b4m n ASP 4 N -4.35 -7.91 -2.70 4.39 9.92 -1.26 -5.00 116.55 109.65 1b4m n ASP 4 Ca 0.00 1.29 -0.06 0.00 -0.53 0.00 0.00 54.79 55.50 1b4m n ASP 4 Cb 0.62 -4.99 0.07 0.00 -0.64 0.00 0.00 41.12 36.18 1b4m n ASP 4 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1b4m n GLN 5 N 0.71 1.28 -1.30 -1.24 7.27 -1.26 -5.13 117.38 117.71 1b4m n GLN 5 Ca 0.01 -2.57 -0.40 0.00 0.07 0.00 0.00 57.00 54.10 1b4m n GLN 5 Cb 0.07 -0.70 0.01 0.00 2.41 0.00 0.00 30.24 32.03 1b4m n GLN 5 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1b4m n ASN 6 N -0.51 -3.03 0.00 1.69 4.13 -1.25 -4.96 115.26 111.34 1b4m n ASN 6 Ca 0.01 0.72 0.00 0.00 1.68 0.00 0.00 54.58 57.00 1b4m n ASN 6 Cb 0.83 -0.91 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 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 2.35 -0.02 3.37 7.41 0.00 -0.37 -5.01 105.19 112.92 1b4m n GLY 7 Ca 0.09 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 2.61 -0.29 2.61 -1.32 -1.26 -1.13 115.64 114.85 1b4m s THR 8 Ca 0.00 -0.87 -0.04 0.00 -1.21 0.00 0.00 61.69 59.57 1b4m s THR 8 Cb 0.00 -2.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.09 1b4m s THR 8 CO 0.00 0.57 0.12 0.26 -2.21 0.00 0.00 174.62 173.37 1b4m s TRP 9 N -0.36 0.51 0.61 9.09 0.52 0.21 -1.54 118.94 127.99 1b4m s TRP 9 Ca 0.03 -0.99 0.25 0.00 0.02 0.00 0.00 56.10 55.41 1b4m s TRP 9 Cb -0.12 -1.01 1.13 0.00 -1.15 0.00 0.00 33.47 32.32 1b4m s TRP 9 CO 0.02 -0.83 1.57 0.93 0.02 0.00 0.00 176.95 178.66 1b4m h GLU 10 N 8.37 0.00 0.00 4.98 5.08 -1.80 0.18 114.58 131.38 1b4m h GLU 10 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1b4m h GLU 10 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1b4m h GLU 10 CO 0.44 0.00 0.00 -0.12 -1.00 0.00 0.00 179.01 178.33 1b4m n MET 11 N -3.31 0.00 0.00 2.33 0.00 -1.26 -3.93 117.12 110.94 1b4m n MET 11 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.83 1b4m n MET 11 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.25 1b4m n MET 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1b4m n GLU 12 N 0.00 0.00 0.00 2.12 2.13 -1.26 -3.50 120.64 120.13 1b4m n GLU 12 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1b4m n GLU 12 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1b4m n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1b4m n SER 13 N 0.88 0.00 -4.18 4.31 2.88 -1.26 -5.13 113.62 111.12 1b4m n SER 13 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1b4m n SER 13 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1b4m n SER 13 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1b4m s ASN 14 N 0.00 2.51 1.11 -3.46 3.84 -1.26 -3.31 114.94 114.37 1b4m s ASN 14 Ca 0.00 -0.42 -0.13 0.00 0.21 0.00 0.00 52.86 52.52 1b4m s ASN 14 Cb 0.00 -0.75 0.19 0.00 -0.55 0.00 0.00 41.25 40.14 1b4m s ASN 14 CO 0.00 0.18 0.79 -0.62 -2.79 0.00 0.00 177.10 174.66 1b4m n GLU 15 N 3.13 -1.91 0.00 0.43 -0.58 -1.26 -4.58 120.64 115.87 1b4m n GLU 15 Ca -0.18 -1.24 0.00 0.00 -0.42 0.00 0.00 57.16 55.32 1b4m n GLU 15 Cb 0.53 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 1b4m n GLU 15 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1b4m n ASN 16 N -4.02 0.00 0.07 1.62 6.94 -1.26 -4.73 115.26 113.88 1b4m n ASN 16 Ca 0.10 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.56 1b4m n ASN 16 Cb 0.39 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.68 1b4m n ASN 16 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1b4m h PHE 17 N 0.00 0.18 0.01 -2.53 3.57 -1.94 -2.90 116.94 113.32 1b4m h PHE 17 Ca 0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1b4m h PHE 17 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1b4m h PHE 17 CO 0.00 1.11 -0.08 1.49 -2.23 0.00 0.00 178.31 178.60 1b4m h GLU 18 N 0.03 0.04 0.00 1.11 4.57 -1.97 -2.64 114.58 115.71 1b4m h GLU 18 Ca -0.08 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1b4m h GLU 18 Cb 1.86 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.47 1b4m h GLU 18 CO 0.15 0.94 -0.01 0.78 -1.18 0.00 0.00 179.01 179.70 1b4m h GLY 19 N -0.84 0.00 1.25 1.92 0.00 -1.95 1.27 103.07 104.72 1b4m h GLY 19 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 1b4m h GLY 19 CO 0.02 0.00 -0.96 -1.82 0.00 0.00 0.00 176.54 173.77 1b4m h TYR 20 N 0.00 0.99 0.00 5.60 3.20 -1.54 0.28 116.97 125.51 1b4m h TYR 20 Ca -0.00 -0.51 -0.08 0.00 3.14 0.00 0.00 58.73 61.27 1b4m h TYR 20 Cb 0.05 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1b4m h TYR 20 CO 0.00 1.35 -0.39 0.52 -1.64 0.00 0.00 178.16 177.99 1b4m h MET 21 N 0.41 0.00 0.00 1.82 2.86 -0.22 -3.06 114.93 116.74 1b4m h MET 21 Ca -0.10 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1b4m h MET 21 Cb 1.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 1b4m h MET 21 CO 0.19 0.39 -0.33 -0.22 1.06 0.00 0.00 176.91 178.00 1b4m h LYS 22 N 0.00 0.00 0.19 1.72 3.64 0.16 0.14 116.57 122.41 1b4m h LYS 22 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1b4m h LYS 22 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1b4m h LYS 22 CO 0.05 0.33 -0.09 0.00 -2.27 0.00 0.00 179.45 177.47 1b4m h ALA 23 N 1.67 -0.25 0.00 5.00 0.00 -0.34 -3.08 119.26 122.27 1b4m h ALA 23 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1b4m h ALA 23 Cb 1.10 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1b4m h ALA 23 CO 0.04 -0.34 0.00 1.37 0.00 0.00 0.00 179.25 180.32 1b4m h LEU 24 N -0.85 0.00 -3.15 0.00 8.10 -1.60 -3.48 115.31 114.33 1b4m h LEU 24 Ca -0.03 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.80 1b4m h LEU 24 Cb 0.52 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.75 1b4m h LEU 24 CO 0.04 0.00 -1.02 -0.67 -4.11 0.00 0.00 178.44 172.68 1b4m n ASP 25 N -2.92 -6.49 -0.06 0.17 -0.08 0.34 -4.96 116.55 102.55 1b4m n ASP 25 Ca 0.02 0.31 -0.09 0.00 -1.51 0.00 0.00 54.79 53.51 1b4m n ASP 25 Cb 0.38 -2.60 -0.15 0.00 2.34 0.00 0.00 41.12 41.09 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b4m n ILE 26 N 0.37 1.51 -3.70 5.18 3.06 -0.35 -5.00 119.36 120.43 1b4m n ILE 26 Ca -0.02 -0.82 -0.02 0.00 -2.50 0.00 0.00 62.75 59.39 1b4m n ILE 26 Cb 0.52 -0.79 0.01 0.00 0.54 0.00 0.00 39.64 39.92 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 -2.92 -1.01 -3.93 9.51 -0.08 -1.26 -4.97 116.55 111.89 1b4m n ASP 27 Ca -0.25 -1.53 -0.29 0.00 -1.51 0.00 0.00 54.79 51.21 1b4m n ASP 27 Cb 1.10 1.64 -0.16 0.00 2.34 0.00 0.00 41.12 46.04 1b4m n ASP 27 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1b4m s PHE 28 N -3.74 1.92 -1.08 -0.67 0.40 -1.26 -4.75 117.98 108.80 1b4m s PHE 28 Ca 0.13 -1.22 -0.06 0.00 -0.60 0.00 0.00 56.93 55.18 1b4m s PHE 28 Cb -0.02 -1.42 0.01 0.00 0.51 0.00 0.00 43.02 42.10 1b4m s PHE 28 CO 0.03 -0.65 0.94 0.00 0.70 0.00 0.00 175.22 176.24 1b4m n ALA 29 N 4.82 -1.14 1.17 5.36 0.00 -1.26 -4.89 120.51 124.57 1b4m n ALA 29 Ca -0.13 0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1b4m n ALA 29 Cb 0.48 -4.22 0.26 0.00 0.00 0.00 0.00 19.45 15.97 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 -4.39 0.00 -0.22 0.00 5.66 -1.26 -4.89 114.28 109.18 1b4m n THR 30 Ca -0.03 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1b4m n THR 30 Cb 0.56 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 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 -0.51 0.61 -0.97 1.09 1.85 -1.26 -4.61 116.66 112.87 1b4m n ARG 31 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 1b4m n ARG 31 Cb 0.38 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.79 1b4m n ARG 31 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1b4m n LYS 32 N -0.34 -0.12 0.00 2.89 2.85 -1.26 -4.72 118.16 117.46 1b4m n LYS 32 Ca 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1b4m n LYS 32 Cb 0.00 -2.99 0.00 0.00 -0.65 0.00 0.00 35.03 31.39 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1b4m n ILE 33 N -2.41 0.00 0.33 0.58 -0.00 -1.26 -4.92 119.36 111.67 1b4m n ILE 33 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 62.85 1b4m n ILE 33 Cb 0.03 0.00 0.54 0.00 -0.00 0.00 0.00 39.64 40.21 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1b4m h ALA 34 N 0.14 1.54 -0.32 -1.39 0.00 -1.84 -2.99 119.26 114.39 1b4m h ALA 34 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1b4m h ALA 34 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1b4m h ALA 34 CO 0.00 -0.54 -0.03 0.28 0.00 0.00 0.00 179.25 178.96 1b4m n VAL 35 N -2.74 -0.14 0.00 0.00 0.31 -1.26 -4.40 118.33 110.10 1b4m n VAL 35 Ca -0.01 0.73 0.00 0.00 -0.01 0.00 0.00 64.34 65.04 1b4m n VAL 35 Cb 0.58 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1b4m n VAL 35 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1b4m n ARG 36 N -4.38 0.00 -3.38 5.55 3.00 -1.13 -4.88 116.66 111.45 1b4m n ARG 36 Ca 0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.67 1b4m n ARG 36 Cb 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.57 1b4m n ARG 36 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1b4m s LEU 37 N 0.00 0.83 0.00 6.15 2.34 -1.26 -5.01 118.68 121.73 1b4m s LEU 37 Ca 0.00 -2.42 0.00 0.00 0.06 0.00 0.00 54.13 51.77 1b4m s LEU 37 Cb 0.00 -0.12 0.00 0.00 -0.56 0.00 0.00 46.19 45.51 1b4m s LEU 37 CO 0.00 -0.23 0.00 0.41 -1.06 0.00 0.00 176.35 175.47 1b4m n THR 38 N 3.53 -1.17 -4.15 5.48 -1.04 -1.26 -2.62 114.28 113.05 1b4m n THR 38 Ca 0.19 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.05 1b4m n THR 38 Cb 0.44 -1.17 -0.14 0.00 -1.82 0.00 0.00 70.33 67.64 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 -3.11 0.46 -0.42 -2.82 2.00 -1.26 -3.94 119.66 110.57 1b4m s GLN 39 Ca 0.00 -0.29 -0.01 0.00 -2.00 0.00 0.00 55.36 53.06 1b4m s GLN 39 Cb 0.00 -0.41 0.20 0.00 0.80 0.00 0.00 33.01 33.60 1b4m s GLN 39 CO 0.00 0.11 0.93 0.99 -0.50 0.00 0.00 175.29 176.82 1b4m s THR 40 N -0.34 -0.55 0.43 -0.34 2.01 -1.25 -4.54 115.64 111.05 1b4m s THR 40 Ca 0.00 -0.51 -0.24 0.00 0.31 0.00 0.00 61.69 61.25 1b4m s THR 40 Cb -0.03 0.00 -0.08 0.00 0.01 0.00 0.00 72.50 72.40 1b4m s THR 40 CO -0.00 0.00 1.20 -0.75 -0.69 0.00 0.00 174.62 174.38 1b4m s LYS 41 N 1.00 3.88 -0.25 4.92 2.36 0.61 -1.63 119.74 130.63 1b4m s LYS 41 Ca 0.26 1.88 -0.04 0.00 -2.55 0.00 0.00 55.97 55.52 1b4m s LYS 41 Cb 0.07 -2.56 0.09 0.00 -1.05 0.00 0.00 37.83 34.37 1b4m s LYS 41 CO -0.08 -0.48 0.11 0.42 1.55 0.00 0.00 175.35 176.86 1b4m s ILE 42 N -1.43 0.09 0.11 5.43 1.01 0.60 0.65 121.20 127.66 1b4m s ILE 42 Ca 0.60 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 60.40 1b4m s ILE 42 Cb -0.32 -0.96 -0.07 0.00 0.01 0.00 0.00 42.46 41.13 1b4m s ILE 42 CO 0.39 -0.56 0.62 -0.51 0.00 0.00 0.00 174.94 174.88 1b4m s ILE 43 N 2.03 4.67 0.05 2.92 -1.16 -0.28 0.17 121.20 129.60 1b4m s ILE 43 Ca 0.06 1.26 0.00 0.00 -0.51 0.00 0.00 60.65 61.46 1b4m s ILE 43 Cb -0.16 -3.91 0.00 0.00 0.61 0.00 0.00 42.46 38.99 1b4m s ILE 43 CO -0.25 0.48 0.00 0.52 -2.81 0.00 0.00 174.94 172.87 1b4m n VAL 44 N 1.49 0.33 -1.69 4.00 0.31 -1.26 -1.24 118.33 120.27 1b4m n VAL 44 Ca -0.08 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1b4m n VAL 44 Cb 0.51 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1b4m n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m n GLN 45 N -2.85 -4.48 -2.43 5.55 6.02 -1.26 -3.86 117.38 114.08 1b4m n GLN 45 Ca 0.00 3.25 -0.01 0.00 -0.01 0.00 0.00 57.00 60.23 1b4m n GLN 45 Cb 0.00 -3.45 0.07 0.00 1.02 0.00 0.00 30.24 27.88 1b4m n GLN 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1b4m n ASP 46 N 1.14 -0.24 -1.35 1.08 -0.08 0.10 -4.83 116.55 112.37 1b4m n ASP 46 Ca 0.00 -2.11 0.00 0.00 -1.51 0.00 0.00 54.79 51.17 1b4m n ASP 46 Cb 0.00 0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.65 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 -0.90 -2.58 3.85 0.27 0.00 -1.26 -4.60 105.19 99.97 1b4m n GLY 47 Ca -0.09 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -3.35 0.00 1.61 8.00 -1.26 -4.91 116.55 116.64 1b4m n ASP 48 Ca 0.00 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1b4m n ASP 48 Cb 0.00 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.20 1b4m n ASP 48 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1b4m n ASN 49 N -2.92 0.00 -4.09 -2.24 2.85 -1.26 -4.50 115.26 103.10 1b4m n ASN 49 Ca -0.09 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.05 1b4m n ASN 49 Cb 0.58 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.46 1b4m n ASN 49 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1b4m s PHE 50 N 0.00 3.27 -0.85 1.20 5.36 -0.74 0.01 117.98 126.24 1b4m s PHE 50 Ca 0.00 -2.22 -0.00 0.00 -0.96 0.00 0.00 56.93 53.74 1b4m s PHE 50 Cb 0.00 -1.98 0.21 0.00 -0.34 0.00 0.00 43.02 40.91 1b4m s PHE 50 CO 0.00 -0.86 0.71 0.15 -1.46 0.00 0.00 175.22 173.76 1b4m s LYS 51 N 1.14 3.08 0.63 10.12 1.02 -1.26 -2.88 119.74 131.57 1b4m s LYS 51 Ca -0.08 -3.29 -0.18 0.00 0.02 0.00 0.00 55.97 52.44 1b4m s LYS 51 Cb -0.20 -3.83 -0.02 0.00 -0.52 0.00 0.00 37.83 33.26 1b4m s LYS 51 CO -0.04 -1.27 1.24 0.99 -0.92 0.00 0.00 175.35 175.35 1b4m s THR 52 N -1.36 2.36 -0.27 2.17 2.01 -1.21 -4.12 115.64 115.22 1b4m s THR 52 Ca 0.27 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.31 1b4m s THR 52 Cb -0.07 -3.06 0.07 0.00 0.01 0.00 0.00 72.50 69.45 1b4m s THR 52 CO -0.13 -0.05 0.67 -0.75 -0.69 0.00 0.00 174.62 173.67 1b4m s LYS 53 N -3.40 0.72 0.11 4.92 2.20 0.45 0.12 119.74 124.87 1b4m s LYS 53 Ca 0.79 1.11 -0.06 0.00 -0.36 0.00 0.00 55.97 57.45 1b4m s LYS 53 Cb -0.33 0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 36.15 1b4m s LYS 53 CO 0.37 -0.13 0.37 -0.08 -0.36 0.00 0.00 175.35 175.52 1b4m s THR 54 N 1.20 5.16 -0.57 3.43 -1.32 -1.26 0.22 115.64 122.49 1b4m s THR 54 Ca -0.07 0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.60 1b4m s THR 54 Cb -0.05 -3.62 0.40 0.00 -1.51 0.00 0.00 72.50 67.72 1b4m s THR 54 CO -0.12 0.14 1.48 -3.20 -2.21 0.00 0.00 174.62 170.70 1b4m n ASN 55 N 0.41 5.85 -4.80 8.08 4.05 -0.65 -4.56 115.26 123.65 1b4m n ASN 55 Ca -0.05 -3.77 -0.32 0.00 0.45 0.00 0.00 54.58 50.90 1b4m n ASN 55 Cb 0.52 -0.68 0.05 0.00 1.23 0.00 0.00 39.78 40.90 1b4m n ASN 55 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1b4m s SER 56 N -2.63 5.24 -0.29 1.20 1.04 -1.25 -4.63 113.70 112.38 1b4m s SER 56 Ca 0.51 1.75 0.11 0.00 0.48 0.00 0.00 55.95 58.80 1b4m s SER 56 Cb 0.42 -2.52 0.68 0.00 0.10 0.00 0.00 66.02 64.71 1b4m s SER 56 CO -0.23 -1.54 1.70 1.07 0.98 0.00 0.00 173.24 175.22 1b4m n THR 57 N -2.88 2.78 0.01 2.02 5.66 -1.08 -4.54 114.28 116.25 1b4m n THR 57 Ca 0.08 -1.82 0.00 0.00 -3.05 0.00 0.00 64.05 59.26 1b4m n THR 57 Cb 0.53 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 1b4m n THR 57 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1b4m n PHE 58 N -0.33 -0.16 0.00 1.09 -1.74 -1.26 -5.07 117.46 109.99 1b4m n PHE 58 Ca 0.36 0.03 0.00 0.00 -0.56 0.00 0.00 57.45 57.28 1b4m n PHE 58 Cb 1.25 0.44 0.00 0.00 1.52 0.00 0.00 39.48 42.70 1b4m n PHE 58 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1b4m n ARG 59 N -2.63 0.00 -2.71 3.97 5.12 -1.26 -5.05 116.66 114.09 1b4m n ARG 59 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 1b4m n ARG 59 Cb 0.06 -0.01 0.01 0.00 -1.16 0.00 0.00 32.46 31.36 1b4m n ARG 59 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1b4m n ASN 60 N -1.38 -6.23 -0.02 0.55 2.85 -1.26 -4.95 115.26 104.82 1b4m n ASN 60 Ca 0.00 -0.16 -0.16 0.00 -0.11 0.00 0.00 54.58 54.16 1b4m n ASN 60 Cb 0.00 -4.24 -0.10 0.00 1.24 0.00 0.00 39.78 36.68 1b4m n ASN 60 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1b4m h TYR 61 N 0.10 0.42 -1.84 1.20 5.03 -1.97 -3.49 116.97 116.43 1b4m h TYR 61 Ca -0.10 -0.21 0.00 0.00 2.58 0.00 0.00 58.73 61.01 1b4m h TYR 61 Cb 1.05 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.27 1b4m h TYR 61 CO 0.17 0.98 -0.29 -3.47 -1.32 0.00 0.00 178.16 174.23 1b4m n ASP 62 N -4.41 -4.13 -1.94 -2.11 -0.08 -1.26 -4.79 116.55 97.83 1b4m n ASP 62 Ca -0.09 0.41 -0.08 0.00 -1.51 0.00 0.00 54.79 53.52 1b4m n ASP 62 Cb 0.54 -1.93 -0.11 0.00 2.34 0.00 0.00 41.12 41.96 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1b4m n LEU 63 N 0.41 4.51 -4.55 -2.67 7.94 0.32 -4.86 117.00 118.10 1b4m n LEU 63 Ca 0.00 -2.61 -0.31 0.00 -1.11 0.00 0.00 56.01 51.98 1b4m n LEU 63 Cb 0.00 -1.15 -0.04 0.00 0.53 0.00 0.00 43.42 42.76 1b4m n LEU 63 CO 0.00 1.25 1.70 -0.62 -1.11 0.00 0.00 177.39 178.61 1b4m s ASP 64 N 2.11 4.55 0.25 1.96 -1.08 -1.26 -3.36 116.67 119.83 1b4m s ASP 64 Ca 0.43 0.53 0.01 0.00 -0.52 0.00 0.00 52.55 53.00 1b4m s ASP 64 Cb 0.20 -2.52 -0.05 0.00 -1.46 0.00 0.00 42.92 39.09 1b4m s ASP 64 CO 0.00 -2.99 0.08 -0.36 0.52 0.00 0.00 175.17 172.42 1b4m s PHE 65 N 11.95 1.49 -0.24 -5.34 0.08 -1.14 -5.02 117.98 119.75 1b4m s PHE 65 Ca 0.87 -1.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.65 1b4m s PHE 65 Cb -0.14 -0.87 0.09 0.00 -0.57 0.00 0.00 43.02 41.52 1b4m s PHE 65 CO 0.18 -0.32 0.57 0.99 -0.10 0.00 0.00 175.22 176.54 1b4m s THR 66 N -3.74 -0.29 0.14 0.64 2.01 -1.26 -1.78 115.64 111.36 1b4m s THR 66 Ca 0.36 0.05 -0.34 0.00 0.31 0.00 0.00 61.69 62.07 1b4m s THR 66 Cb 0.08 -0.84 -0.16 0.00 0.01 0.00 0.00 72.50 71.58 1b4m s THR 66 CO 0.12 0.02 1.22 0.55 -0.69 0.00 0.00 174.62 175.84 1b4m n VAL 67 N 4.67 0.58 -0.91 3.82 3.14 -1.26 -1.55 118.33 126.83 1b4m n VAL 67 Ca -0.18 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1b4m n VAL 67 Cb 0.55 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 1b4m n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b4m n GLY 68 N 2.19 0.99 0.31 7.55 0.00 0.15 -4.86 105.19 111.51 1b4m n GLY 68 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 1.26 -4.61 1.61 2.07 -1.48 -3.48 116.25 111.62 1b4m h VAL 69 Ca 0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1b4m h VAL 69 Cb 0.00 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1b4m h VAL 69 CO 0.00 0.38 -0.68 1.21 0.02 0.00 0.00 177.57 178.50 1b4m n GLU 70 N -4.25 -2.50 -1.71 1.57 2.13 -1.26 -4.70 120.64 109.92 1b4m n GLU 70 Ca 0.04 2.14 -0.35 0.00 0.66 0.00 0.00 57.16 59.65 1b4m n GLU 70 Cb 0.28 -4.34 -0.06 0.00 0.27 0.00 0.00 31.44 27.60 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 0.39 2.45 -1.27 4.31 3.01 0.53 -4.83 117.46 122.05 1b4m n PHE 71 Ca 0.01 -1.65 -0.07 0.00 1.01 0.00 0.00 57.45 56.75 1b4m n PHE 71 Cb 0.05 -2.25 -0.06 0.00 -0.01 0.00 0.00 39.48 37.21 1b4m n PHE 71 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1b4m n ASP 72 N 11.36 -0.56 -1.27 4.37 8.00 -1.26 -2.60 116.55 134.59 1b4m n ASP 72 Ca 0.47 -1.77 0.13 0.00 0.71 0.00 0.00 54.79 54.33 1b4m n ASP 72 Cb 0.44 -1.07 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 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 6.11 -1.87 -0.59 -1.24 1.02 0.23 -4.91 120.64 119.39 1b4m n GLU 73 Ca 0.21 1.23 0.00 0.00 -0.02 0.00 0.00 57.16 58.59 1b4m n GLU 73 Cb 0.46 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1b4m n GLU 73 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1b4m n HIS 74 N -3.42 0.00 -4.06 -0.32 -0.00 -1.25 -4.80 115.22 101.36 1b4m n HIS 74 Ca 0.01 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.09 1b4m n HIS 74 Cb 0.42 -0.59 -0.08 0.00 -0.12 0.00 0.00 29.99 29.62 1b4m n HIS 74 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1b4m s THR 75 N 0.00 0.06 0.00 3.57 -4.23 -1.19 -4.98 115.64 108.87 1b4m s THR 75 Ca 0.00 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1b4m s THR 75 Cb 0.00 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1b4m s THR 75 CO 0.00 -0.27 0.00 2.29 -0.54 0.00 0.00 174.62 176.10 1b4m n LYS 76 N -0.20 0.00 -0.14 3.99 2.85 -1.26 -3.80 118.16 119.59 1b4m n LYS 76 Ca -0.05 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.40 1b4m n LYS 76 Cb 0.64 0.00 0.57 0.00 -0.65 0.00 0.00 35.03 35.58 1b4m n LYS 76 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1b4m h GLY 77 N 0.00 0.51 -6.80 2.58 0.00 -2.01 -3.33 103.07 94.03 1b4m h GLY 77 Ca 0.00 -0.12 -0.50 0.00 0.00 0.00 0.00 47.33 46.71 1b4m h GLY 77 CO 0.00 0.03 -0.76 -2.27 0.00 0.00 0.00 176.54 173.54 1b4m s LEU 78 N -9.16 0.44 0.00 3.11 2.96 -1.26 -5.01 118.68 109.75 1b4m s LEU 78 Ca -0.07 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.70 1b4m s LEU 78 Cb 0.21 -0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.65 1b4m s LEU 78 CO 0.76 -0.42 0.00 -0.67 -1.32 0.00 0.00 176.35 174.70 1b4m n ASP 79 N 5.26 0.00 0.00 3.68 2.03 -1.25 -4.77 116.55 121.50 1b4m n ASP 79 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1b4m n ASP 79 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.75 0.13 0.27 0.00 -1.26 -4.80 105.19 100.28 1b4m n GLY 80 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 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 0.27 -3.55 1.61 0.63 -1.25 -4.93 116.66 109.44 1b4m n ARG 81 Ca 0.00 -0.14 -0.29 0.00 -0.92 0.00 0.00 57.85 56.50 1b4m n ARG 81 Cb 0.00 0.10 -0.12 0.00 0.45 0.00 0.00 32.46 32.89 1b4m n ARG 81 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1b4m s ASN 82 N -1.10 3.01 0.02 6.15 0.01 -1.26 -3.14 114.94 118.64 1b4m s ASN 82 Ca 0.01 -2.56 0.08 0.00 -0.71 0.00 0.00 52.86 49.69 1b4m s ASN 82 Cb 0.00 -0.67 -0.03 0.00 0.41 0.00 0.00 41.25 40.96 1b4m s ASN 82 CO 0.01 -0.26 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.40 1b4m s VAL 83 N 0.54 2.25 -0.83 1.60 1.01 -1.26 -4.81 120.40 118.89 1b4m s VAL 83 Ca 0.21 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 1b4m s VAL 83 Cb -0.18 -1.85 -0.17 0.00 0.00 0.00 0.00 36.38 34.18 1b4m s VAL 83 CO -0.04 0.44 1.90 1.17 0.00 0.00 0.00 175.10 178.58 1b4m n LYS 84 N 1.99 1.28 -1.59 2.72 3.00 -0.97 -0.60 118.16 123.98 1b4m n LYS 84 Ca -0.17 -1.94 -0.42 0.00 -0.00 0.00 0.00 58.31 55.78 1b4m n LYS 84 Cb 0.52 -3.19 -0.02 0.00 0.00 0.00 0.00 35.03 32.34 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 6.88 2.94 -0.80 3.15 -1.04 -1.07 -1.34 114.28 123.01 1b4m n THR 85 Ca 0.47 -2.60 -0.29 0.00 -2.04 0.00 0.00 64.05 59.59 1b4m n THR 85 Cb 0.43 -2.50 0.20 0.00 -1.82 0.00 0.00 70.33 66.63 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 2.13 1.73 -0.27 -4.42 2.96 -1.26 -0.34 118.68 119.21 1b4m s LEU 86 Ca 0.51 1.65 -0.06 0.00 -0.22 0.00 0.00 54.13 56.00 1b4m s LEU 86 Cb 0.13 -3.82 0.14 0.00 0.50 0.00 0.00 46.19 43.14 1b4m s LEU 86 CO -0.01 -3.47 0.56 0.54 -1.32 0.00 0.00 176.35 172.65 1b4m s VAL 87 N -2.66 -0.89 0.29 1.68 0.11 -1.26 -3.25 120.40 114.43 1b4m s VAL 87 Ca 0.66 0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 59.66 1b4m s VAL 87 Cb -0.22 -0.91 -0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1b4m s VAL 87 CO 0.61 0.00 0.47 0.28 -3.33 0.00 0.00 175.10 173.13 1b4m s THR 88 N 2.80 0.00 0.15 5.04 -1.32 0.15 0.31 115.64 122.77 1b4m s THR 88 Ca 0.04 -1.50 -0.02 0.00 -1.21 0.00 0.00 61.69 58.99 1b4m s THR 88 Cb -0.13 -2.45 -0.05 0.00 -1.51 0.00 0.00 72.50 68.36 1b4m s THR 88 CO -0.18 0.00 0.35 0.26 -2.21 0.00 0.00 174.62 172.85 1b4m s TRP 89 N -3.52 3.48 -0.25 9.09 0.52 -1.26 -0.49 118.94 126.51 1b4m s TRP 89 Ca 0.26 0.43 0.01 0.00 0.02 0.00 0.00 56.10 56.82 1b4m s TRP 89 Cb -0.00 -1.91 -0.16 0.00 -1.15 0.00 0.00 33.47 30.25 1b4m s TRP 89 CO 0.14 0.44 -0.23 -1.91 0.02 0.00 0.00 176.95 175.41 1b4m n GLU 90 N -0.16 0.62 0.00 4.98 4.07 0.48 -4.75 120.64 125.89 1b4m n GLU 90 Ca -0.04 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1b4m n GLU 90 Cb 0.52 -1.50 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 2.25 -0.12 2.73 8.31 0.00 -1.26 -4.92 105.19 112.19 1b4m n GLY 91 Ca -0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.17 -3.59 1.61 0.23 -1.26 -4.84 115.26 107.25 1b4m n ASN 92 Ca 0.00 -2.21 -0.07 0.00 -0.53 0.00 0.00 54.58 51.77 1b4m n ASN 92 Cb 0.00 0.20 -0.04 0.00 -2.08 0.00 0.00 39.78 37.86 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 -1.57 0.00 -0.82 5.53 -1.32 -1.26 -4.62 115.64 111.58 1b4m s THR 93 Ca 0.18 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.46 1b4m s THR 93 Cb 0.40 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.49 1b4m s THR 93 CO -0.08 0.00 1.06 -0.22 -2.21 0.00 0.00 174.62 173.17 1b4m s LEU 94 N -1.54 4.78 -0.35 9.08 2.96 -1.26 0.18 118.68 132.53 1b4m s LEU 94 Ca 0.04 -1.63 -0.21 0.00 -0.22 0.00 0.00 54.13 52.11 1b4m s LEU 94 Cb -0.01 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.28 1b4m s LEU 94 CO -0.03 -1.22 0.69 -0.69 -1.32 0.00 0.00 176.35 173.78 1b4m s VAL 95 N 3.25 4.84 -0.26 1.68 1.01 0.35 -2.34 120.40 128.93 1b4m s VAL 95 Ca 0.28 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.99 1b4m s VAL 95 Cb -0.10 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.22 1b4m s VAL 95 CO -0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 175.10 174.64 1b4m n VAL 97 N 4.46 4.79 -1.53 0.00 0.31 -1.20 -3.14 118.33 122.01 1b4m n VAL 97 Ca -0.14 -5.66 -0.38 0.00 -0.01 0.00 0.00 64.34 58.15 1b4m n VAL 97 Cb 0.42 -2.28 -0.07 0.00 -0.91 0.00 0.00 33.84 31.00 1b4m n VAL 97 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1b4m n GLN 98 N 1.85 0.71 -3.25 5.55 7.27 -1.24 -3.98 117.38 124.30 1b4m n GLN 98 Ca 0.25 0.00 -0.46 0.00 0.07 0.00 0.00 57.00 56.86 1b4m n GLN 98 Cb 0.36 -2.82 -0.02 0.00 2.41 0.00 0.00 30.24 30.17 1b4m n GLN 98 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1b4m s LYS 99 N 8.49 3.71 0.00 3.69 2.20 -0.45 -2.79 119.74 134.58 1b4m s LYS 99 Ca 1.10 -2.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.25 1b4m s LYS 99 Cb -0.53 -4.55 0.00 0.00 -1.51 0.00 0.00 37.83 31.24 1b4m s LYS 99 CO 0.34 -1.38 0.15 0.41 -0.36 0.00 0.00 175.35 174.51 1b4m n GLY 100 N 4.05 -2.07 0.00 5.54 0.00 -1.24 -2.30 105.19 109.17 1b4m n GLY 100 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.17 0.00 0.05 1.61 0.00 -1.26 -4.76 120.64 116.10 1b4m n GLU 101 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.98 1b4m n GLU 101 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 1b4m n GLU 101 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1b4m h LYS 102 N 0.00 0.26 -5.32 5.31 3.11 -2.00 -3.48 116.57 114.45 1b4m h LYS 102 Ca 0.00 -0.45 -0.66 0.00 -2.81 0.00 0.00 60.65 56.73 1b4m h LYS 102 Cb 0.00 0.17 -0.13 0.00 -1.00 0.00 0.00 32.23 31.27 1b4m h LYS 102 CO 0.00 1.12 -0.54 -1.83 -2.81 0.00 0.00 179.45 175.39 1b4m s GLU 103 N -2.59 2.12 -0.19 1.90 1.03 -1.26 -4.99 118.70 114.72 1b4m s GLU 103 Ca -0.13 -2.31 0.01 0.00 0.03 0.00 0.00 54.97 52.57 1b4m s GLU 103 Cb 0.07 -1.53 0.04 0.00 -0.80 0.00 0.00 34.13 31.90 1b4m s GLU 103 CO 0.83 -0.28 -0.11 -0.80 -1.33 0.00 0.00 175.26 173.58 1b4m s ASN 104 N -3.82 3.20 -0.21 0.83 -0.87 -1.26 -3.60 114.94 109.21 1b4m s ASN 104 Ca 0.15 -0.79 0.14 0.00 -1.57 0.00 0.00 52.86 50.79 1b4m s ASN 104 Cb 0.04 -1.20 0.44 0.00 -0.02 0.00 0.00 41.25 40.52 1b4m s ASN 104 CO 0.08 -0.13 1.33 -1.14 -2.57 0.00 0.00 177.10 174.67 1b4m n ARG 105 N 4.72 1.94 -2.79 -0.60 3.00 -1.12 -0.20 116.66 121.61 1b4m n ARG 105 Ca -0.15 -2.97 -0.42 0.00 -0.00 0.00 0.00 57.85 54.32 1b4m n ARG 105 Cb 0.47 -1.71 -0.03 0.00 0.00 0.00 0.00 32.46 31.19 1b4m n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1b4m s GLY 106 N -2.59 2.76 -0.07 5.14 0.00 -1.23 -4.50 107.32 106.83 1b4m s GLY 106 Ca 0.40 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.56 1b4m s GLY 106 CO 0.02 1.60 -0.17 0.66 0.00 0.00 0.00 173.10 175.21 1b4m s TRP 107 N 1.11 2.66 0.31 1.90 -2.14 -1.19 0.65 118.94 122.24 1b4m s TRP 107 Ca 0.48 -0.42 -0.11 0.00 2.66 0.00 0.00 56.10 58.71 1b4m s TRP 107 Cb -0.20 -1.68 0.01 0.00 -3.10 0.00 0.00 33.47 28.51 1b4m s TRP 107 CO 0.24 -0.02 0.56 -1.59 -2.66 0.00 0.00 176.95 173.49 1b4m s LYS 108 N -0.31 1.83 0.16 3.25 -2.85 -1.25 -3.41 119.74 117.16 1b4m s LYS 108 Ca 0.02 -1.43 0.03 0.00 -1.00 0.00 0.00 55.97 53.58 1b4m s LYS 108 Cb -0.13 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1b4m s LYS 108 CO 0.03 -0.79 -0.04 1.14 0.10 0.00 0.00 175.35 175.79 1b4m s GLN 109 N -3.33 1.06 -0.39 1.78 0.00 -0.99 -2.95 119.66 114.84 1b4m s GLN 109 Ca 0.23 -1.48 0.02 0.00 -0.00 0.00 0.00 55.36 54.13 1b4m s GLN 109 Cb -0.02 -0.36 0.28 0.00 0.00 0.00 0.00 33.01 32.91 1b4m s GLN 109 CO 0.13 -0.06 1.16 -2.67 0.00 0.00 0.00 175.29 173.86 1b4m n TRP 110 N -0.20 -1.60 0.00 9.60 2.14 -1.24 -4.02 117.44 122.11 1b4m n TRP 110 Ca -0.08 -1.19 0.00 0.00 2.07 0.00 0.00 57.50 58.29 1b4m n TRP 110 Cb 0.62 1.32 0.00 0.00 -0.81 0.00 0.00 31.31 32.44 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 1.17 0.00 -1.01 -1.67 0.31 -1.26 -4.74 118.33 111.13 1b4m n VAL 111 Ca 0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.12 1b4m n VAL 111 Cb 0.70 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.69 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 0.00 2.14 0.00 5.55 1.02 -1.14 -4.96 120.64 123.25 1b4m n GLU 112 Ca 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 1b4m n GLU 112 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 1b4m n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b4m n GLY 113 N -0.27 1.39 0.99 0.62 0.00 -1.26 -4.65 105.19 102.02 1b4m n GLY 113 Ca 0.44 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.63 -3.59 1.61 8.00 -1.26 -4.96 116.55 119.98 1b4m n ASP 114 Ca 0.00 -2.26 -0.17 0.00 0.71 0.00 0.00 54.79 53.08 1b4m n ASP 114 Cb 0.00 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.64 1b4m n ASP 114 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1b4m s LYS 115 N -1.47 0.95 0.80 -1.24 -2.85 -1.26 -2.84 119.74 111.84 1b4m s LYS 115 Ca 0.36 0.13 -0.09 0.00 -1.00 0.00 0.00 55.97 55.37 1b4m s LYS 115 Cb 0.22 0.44 0.12 0.00 -2.06 0.00 0.00 37.83 36.56 1b4m s LYS 115 CO 0.19 -0.29 1.13 -0.51 0.10 0.00 0.00 175.35 175.97 1b4m s LEU 116 N -1.23 2.78 -0.37 2.77 2.01 -1.26 -2.88 118.68 120.49 1b4m s LEU 116 Ca -0.12 0.27 0.03 0.00 0.01 0.00 0.00 54.13 54.32 1b4m s LEU 116 Cb -0.01 -2.64 0.15 0.00 0.01 0.00 0.00 46.19 43.70 1b4m s LEU 116 CO 0.08 -2.06 0.36 -0.31 1.01 0.00 0.00 176.35 175.44 1b4m s TYR 117 N -3.47 -0.13 -1.38 0.29 1.51 -1.26 -3.70 117.35 109.20 1b4m s TYR 117 Ca 0.66 -0.99 -0.08 0.00 -1.01 0.00 0.00 57.07 55.64 1b4m s TYR 117 Cb -0.07 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.25 1b4m s TYR 117 CO 0.48 -0.95 2.87 1.28 -1.11 0.00 0.00 175.55 178.11 1b4m n LEU 118 N 4.13 8.23 -4.56 -1.29 4.77 -1.26 -3.69 117.00 123.33 1b4m n LEU 118 Ca 0.12 -4.40 -0.37 0.00 -0.03 0.00 0.00 56.01 51.34 1b4m n LEU 118 Cb 0.44 -1.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.01 1b4m n LEU 118 CO 0.09 2.03 1.41 -1.61 -1.33 0.00 0.00 177.39 177.99 1b4m s GLU 119 N 1.08 3.17 0.72 3.23 2.02 -1.15 -3.84 118.70 123.92 1b4m s GLU 119 Ca 0.65 -0.65 -0.02 0.00 0.02 0.00 0.00 54.97 54.97 1b4m s GLU 119 Cb 0.20 -5.06 0.15 0.00 0.10 0.00 0.00 34.13 29.52 1b4m s GLU 119 CO -0.07 -2.58 0.98 1.47 0.02 0.00 0.00 175.26 175.08 1b4m n LEU 120 N 10.69 0.00 -4.28 1.80 -0.00 -1.12 -3.95 117.00 120.14 1b4m n LEU 120 Ca 0.30 -1.90 -0.16 0.00 -0.00 0.00 0.00 56.01 54.25 1b4m n LEU 120 Cb 0.50 -0.66 -0.10 0.00 -0.00 0.00 0.00 43.42 43.16 1b4m n LEU 120 CO 0.65 -1.02 -0.43 -0.89 -0.00 0.00 0.00 177.39 175.71 1b4m s THR 121 N -3.00 1.40 -0.47 1.47 2.01 0.21 -1.75 115.64 115.50 1b4m s THR 121 Ca 0.63 -2.06 0.05 0.00 0.31 0.00 0.00 61.69 60.62 1b4m s THR 121 Cb -0.03 -1.87 0.23 0.00 0.01 0.00 0.00 72.50 70.84 1b4m s THR 121 CO 0.42 -0.64 0.89 0.00 -0.69 0.00 0.00 174.62 174.61 1b4m n GLY 123 N 2.04 -0.31 1.17 0.00 0.00 0.72 -3.17 105.19 105.65 1b4m n GLY 123 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.56 -2.03 -0.60 1.61 8.00 -1.26 -4.88 116.55 115.82 1b4m n ASP 124 Ca -0.13 -0.02 0.05 0.00 0.71 0.00 0.00 54.79 55.39 1b4m n ASP 124 Cb 0.62 -0.68 0.09 0.00 -0.02 0.00 0.00 41.12 41.13 1b4m n ASP 124 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b4m n GLN 125 N -1.20 0.72 0.00 -1.24 1.13 -1.19 -5.05 117.38 110.55 1b4m n GLN 125 Ca -0.01 -2.17 0.00 0.00 -1.94 0.00 0.00 57.00 52.88 1b4m n GLN 125 Cb 0.51 -0.93 0.00 0.00 0.11 0.00 0.00 30.24 29.92 1b4m n GLN 125 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1b4m n VAL 126 N -0.56 0.00 -1.89 5.09 3.14 -1.26 -4.69 118.33 118.15 1b4m n VAL 126 Ca 0.10 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.13 1b4m n VAL 126 Cb 0.77 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.60 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 -3.48 0.58 0.95 0.00 3.00 -1.26 -2.80 118.95 115.94 1b4m s ARG 128 Ca 0.76 -1.07 -0.12 0.00 0.00 0.00 0.00 55.73 55.30 1b4m s ARG 128 Cb -0.30 -1.62 0.16 0.00 0.00 0.00 0.00 34.95 33.19 1b4m s ARG 128 CO 0.36 -1.07 1.12 -0.65 0.00 0.00 0.00 175.30 175.06 1b4m s GLN 129 N 1.50 0.81 -0.01 3.54 -0.21 -1.25 -4.07 119.66 119.97 1b4m s GLN 129 Ca 0.12 0.34 -0.01 0.00 0.02 0.00 0.00 55.36 55.84 1b4m s GLN 129 Cb -0.19 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.03 1b4m s GLN 129 CO -0.20 -2.44 0.02 0.08 -2.12 0.00 0.00 175.29 170.63 1b4m s VAL 130 N -3.17 0.00 0.38 1.09 1.01 -1.21 -4.58 120.40 113.92 1b4m s VAL 130 Ca 0.65 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1b4m s VAL 130 Cb -0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 1b4m s VAL 130 CO 0.55 -0.02 0.04 0.49 0.00 0.00 0.00 175.10 176.16 1b4m n PHE 131 N 3.02 0.69 -3.15 5.22 3.01 -1.23 -4.23 117.46 120.79 1b4m n PHE 131 Ca -0.12 -2.03 0.05 0.00 1.01 0.00 0.00 57.45 56.35 1b4m n PHE 131 Cb 0.60 -0.19 -0.01 0.00 -0.01 0.00 0.00 39.48 39.87 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 -3.40 0.34 -0.73 -1.08 2.47 -1.25 -4.76 119.74 111.33 1b4m s LYS 132 Ca 0.05 0.55 -0.25 0.00 -1.56 0.00 0.00 55.97 54.76 1b4m s LYS 132 Cb 0.00 0.30 -0.14 0.00 -1.46 0.00 0.00 37.83 36.53 1b4m s LYS 132 CO 0.04 -0.43 2.41 1.17 0.16 0.00 0.00 175.35 178.69 1b4m n LYS 133 N 5.41 0.63 -0.70 4.03 4.81 -1.13 -3.81 118.16 127.40 1b4m n LYS 133 Ca -0.02 -0.51 0.00 0.00 -0.87 0.00 0.00 58.31 56.91 1b4m n LYS 133 Cb 0.53 -3.32 0.00 0.00 0.02 0.00 0.00 35.03 32.26 1b4m n LYS 133 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20