#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m h THR 2 N 0.00 1.22 0.00 1.12 2.02 -1.99 -3.41 112.91 111.87 1b4m h THR 2 Ca 0.00 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1b4m h THR 2 Cb 0.00 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1b4m h THR 2 CO 0.00 0.26 -0.53 0.29 0.37 0.00 0.00 175.52 175.92 1b4m n LYS 3 N -4.56 2.18 -3.16 6.66 5.02 -1.26 -4.64 118.16 118.40 1b4m n LYS 3 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1b4m n LYS 3 Cb 0.19 -0.76 -0.07 0.00 -0.02 0.00 0.00 35.03 34.37 1b4m n LYS 3 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1b4m s ASP 4 N -1.96 6.55 -0.07 4.39 2.15 -1.26 -4.91 116.67 121.57 1b4m s ASP 4 Ca 0.00 0.67 0.22 0.00 0.43 0.00 0.00 52.55 53.87 1b4m s ASP 4 Cb 0.00 -2.32 0.43 0.00 -0.30 0.00 0.00 42.92 40.73 1b4m s ASP 4 CO 0.00 -0.31 1.18 1.67 -0.17 0.00 0.00 175.17 177.54 1b4m n GLN 5 N 5.47 0.50 0.00 4.34 7.27 -1.26 -0.99 117.38 132.71 1b4m n GLN 5 Ca -0.02 -2.41 0.00 0.00 0.07 0.00 0.00 57.00 54.64 1b4m n GLN 5 Cb 0.49 -0.49 0.00 0.00 2.41 0.00 0.00 30.24 32.66 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 0.04 0.00 0.00 1.69 4.13 -1.26 -4.86 115.26 115.01 1b4m n ASN 6 Ca 0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1b4m n ASN 6 Cb 1.02 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.26 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 0.00 3.20 0.00 7.41 0.00 -1.19 -5.01 105.19 109.60 1b4m n GLY 7 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.22 2.61 5.66 -1.26 -4.48 114.28 113.59 1b4m n THR 8 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1b4m n THR 8 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 -1.89 -1.41 0.36 1.09 0.52 0.36 -2.00 118.94 115.97 1b4m s TRP 9 Ca 0.00 1.17 0.22 0.00 0.02 0.00 0.00 56.10 57.51 1b4m s TRP 9 Cb 0.00 0.28 1.30 0.00 -1.15 0.00 0.00 33.47 33.90 1b4m s TRP 9 CO 0.00 -0.91 1.48 0.39 0.02 0.00 0.00 176.95 177.93 1b4m n GLU 10 N 5.40 -0.05 -1.62 4.98 1.02 -1.25 0.93 120.64 130.05 1b4m n GLU 10 Ca 0.00 1.27 0.00 0.00 -0.02 0.00 0.00 57.16 58.41 1b4m n GLU 10 Cb 0.51 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1b4m n GLU 10 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1b4m n MET 11 N -5.01 0.00 0.00 3.49 1.56 -1.26 -3.05 117.12 112.85 1b4m n MET 11 Ca 0.36 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.79 1b4m n MET 11 Cb 1.27 -2.20 0.00 0.00 2.15 0.00 0.00 33.22 34.44 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 -0.70 0.00 -3.78 2.12 2.13 -1.25 -4.22 120.64 114.93 1b4m n GLU 12 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1b4m n GLU 12 Cb 0.36 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.01 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 -0.05 -0.03 -0.25 4.31 0.01 -1.24 -5.09 113.70 111.36 1b4m s SER 13 Ca 0.00 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 1b4m s SER 13 Cb 0.00 0.41 0.03 0.00 0.21 0.00 0.00 66.02 66.67 1b4m s SER 13 CO 0.00 -0.80 -0.08 0.20 0.41 0.00 0.00 173.24 172.97 1b4m s ASN 14 N -2.85 4.30 0.10 2.44 0.01 -1.26 -3.55 114.94 114.12 1b4m s ASN 14 Ca 0.06 -1.00 -0.19 0.00 -0.71 0.00 0.00 52.86 51.02 1b4m s ASN 14 Cb 0.03 -1.63 -0.07 0.00 0.41 0.00 0.00 41.25 39.99 1b4m s ASN 14 CO -0.10 -0.14 1.63 -0.08 -1.51 0.00 0.00 177.10 176.90 1b4m h GLU 15 N 7.96 0.36 -3.52 -0.60 4.22 -1.97 -3.39 114.58 117.64 1b4m h GLU 15 Ca -0.30 -0.07 -0.61 0.00 0.08 0.00 0.00 59.36 58.47 1b4m h GLU 15 Cb 1.09 -0.06 -0.40 0.00 0.50 0.00 0.00 28.75 29.88 1b4m h GLU 15 CO 0.55 0.41 -0.74 -0.80 -2.18 0.00 0.00 179.01 176.26 1b4m s ASN 16 N -5.67 4.02 -0.20 1.04 0.01 -1.26 -4.93 114.94 107.95 1b4m s ASN 16 Ca -0.14 -2.13 -0.17 0.00 -0.71 0.00 0.00 52.86 49.71 1b4m s ASN 16 Cb 0.08 -1.08 -0.08 0.00 0.41 0.00 0.00 41.25 40.58 1b4m s ASN 16 CO 0.72 -0.35 -0.35 0.33 -1.51 0.00 0.00 177.10 175.94 1b4m n PHE 17 N 4.21 0.00 0.12 2.20 7.35 -1.26 -4.13 117.46 125.95 1b4m n PHE 17 Ca 0.03 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.59 1b4m n PHE 17 Cb 0.39 -0.63 -0.08 0.00 0.35 0.00 0.00 39.48 39.50 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 -0.98 -0.29 0.00 -4.13 4.81 -1.95 -3.05 114.58 108.99 1b4m h GLU 18 Ca -0.20 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1b4m h GLU 18 Cb 1.17 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1b4m h GLU 18 CO -0.12 -0.01 -0.06 0.78 -0.73 0.00 0.00 179.01 178.87 1b4m h GLY 19 N -0.55 0.00 0.93 1.92 0.00 -1.94 -1.09 103.07 102.34 1b4m h GLY 19 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1b4m h GLY 19 CO 0.05 0.00 -0.05 -1.82 0.00 0.00 0.00 176.54 174.72 1b4m h TYR 20 N 0.00 0.74 0.00 5.60 3.20 -1.69 0.60 116.97 125.42 1b4m h TYR 20 Ca -0.00 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.67 1b4m h TYR 20 Cb 0.16 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1b4m h TYR 20 CO 0.00 0.80 -0.23 0.52 -1.64 0.00 0.00 178.16 177.61 1b4m h MET 21 N 0.46 0.00 0.00 1.82 2.86 -1.28 -2.43 114.93 116.36 1b4m h MET 21 Ca 0.09 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 1b4m h MET 21 Cb 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1b4m h MET 21 CO 0.03 0.23 -0.62 -0.22 1.06 0.00 0.00 176.91 177.39 1b4m h LYS 22 N 0.00 0.00 0.03 1.72 3.64 -0.74 0.63 116.57 121.86 1b4m h LYS 22 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1b4m h LYS 22 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1b4m h LYS 22 CO 0.03 0.62 -0.01 0.00 -2.27 0.00 0.00 179.45 177.81 1b4m h ALA 23 N 1.38 -0.04 0.00 5.00 0.00 0.71 -2.39 119.26 123.93 1b4m h ALA 23 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1b4m h ALA 23 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1b4m h ALA 23 CO 0.08 -0.40 -0.43 1.47 0.00 0.00 0.00 179.25 179.97 1b4m n LEU 24 N -4.99 0.46 -3.31 0.00 -0.00 -1.22 -4.94 117.00 103.00 1b4m n LEU 24 Ca -0.08 0.14 -0.29 0.00 -0.00 0.00 0.00 56.01 55.78 1b4m n LEU 24 Cb 0.15 -0.28 0.03 0.00 -0.00 0.00 0.00 43.42 43.32 1b4m n LEU 24 CO 0.33 0.06 -0.21 -0.67 -0.00 0.00 0.00 177.39 176.91 1b4m n ASP 25 N -1.64 -6.23 0.11 1.45 2.03 0.08 -4.88 116.55 107.48 1b4m n ASP 25 Ca 0.05 0.08 0.13 0.00 0.52 0.00 0.00 54.79 55.56 1b4m n ASP 25 Cb 0.36 -2.68 0.29 0.00 -0.72 0.00 0.00 41.12 38.37 1b4m n ASP 25 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1b4m h ILE 26 N 2.16 0.00 -2.26 5.18 2.10 -0.09 -3.48 117.51 121.12 1b4m h ILE 26 Ca -0.39 -0.58 0.25 0.00 1.08 0.00 0.00 64.86 65.22 1b4m h ILE 26 Cb 1.26 1.45 -0.05 0.00 -1.09 0.00 0.00 36.82 38.39 1b4m h ILE 26 CO 0.21 0.00 0.72 -0.67 -1.08 0.00 0.00 178.15 177.33 1b4m n ASP 27 N -2.36 -1.33 -3.95 2.19 -0.08 -1.26 -5.08 116.55 104.68 1b4m n ASP 27 Ca 0.04 -1.49 -0.30 0.00 -1.51 0.00 0.00 54.79 51.53 1b4m n ASP 27 Cb 0.45 2.12 -0.13 0.00 2.34 0.00 0.00 41.12 45.90 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 -2.20 3.35 -1.05 -0.67 0.40 -1.26 -4.74 117.98 111.81 1b4m s PHE 28 Ca 0.25 -3.20 -0.00 0.00 -0.60 0.00 0.00 56.93 53.38 1b4m s PHE 28 Cb -0.02 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.69 1b4m s PHE 28 CO 0.02 -0.68 0.88 0.00 0.70 0.00 0.00 175.22 176.13 1b4m n ALA 29 N 2.72 -1.76 0.03 5.36 0.00 -1.26 -4.93 120.51 120.68 1b4m n ALA 29 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 1b4m n ALA 29 Cb 0.33 -2.21 -0.08 0.00 0.00 0.00 0.00 19.45 17.49 1b4m n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b4m h THR 30 N -1.67 0.64 0.00 0.00 1.03 -1.98 -3.45 112.91 107.47 1b4m h THR 30 Ca -0.52 -2.19 0.00 0.00 -0.01 0.00 0.00 66.41 63.69 1b4m h THR 30 Cb 1.30 2.17 0.00 0.00 -1.07 0.00 0.00 68.15 70.55 1b4m h THR 30 CO 0.44 0.37 0.00 -2.11 -0.01 0.00 0.00 175.52 174.20 1b4m n ARG 31 N -2.97 2.83 -0.78 0.00 0.00 -1.26 -4.82 116.66 109.66 1b4m n ARG 31 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1b4m n ARG 31 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.33 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 0.00 0.00 0.00 2.89 2.85 -1.26 -4.79 118.16 117.85 1b4m n LYS 32 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1b4m n LYS 32 Cb 0.00 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.25 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 -2.34 0.00 0.65 0.58 -0.00 -1.26 -4.82 119.36 112.17 1b4m n ILE 33 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.81 1b4m n ILE 33 Cb 0.00 0.03 0.18 0.00 -0.00 0.00 0.00 39.64 39.85 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 -0.29 2.54 -0.33 -1.28 0.00 -1.26 -4.28 120.51 115.61 1b4m n ALA 34 Ca 0.00 -0.73 0.24 0.00 0.00 0.00 0.00 53.44 52.95 1b4m n ALA 34 Cb 0.01 -0.98 0.47 0.00 0.00 0.00 0.00 19.45 18.96 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 2.27 0.30 0.00 0.00 2.07 -1.98 -3.41 116.25 115.50 1b4m h VAL 35 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1b4m h VAL 35 Cb 0.63 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1b4m h VAL 35 CO 0.04 0.06 0.00 -1.14 0.02 0.00 0.00 177.57 176.54 1b4m n ARG 36 N -5.05 0.00 -2.80 1.57 3.00 -1.26 -5.01 116.66 107.10 1b4m n ARG 36 Ca 0.32 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 58.06 1b4m n ARG 36 Cb 0.98 0.00 0.05 0.00 0.00 0.00 0.00 32.46 33.49 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 -0.08 -0.97 6.15 -0.00 -1.26 -5.09 117.00 115.75 1b4m n LEU 37 Ca 0.00 -3.95 0.00 0.00 -0.00 0.00 0.00 56.01 52.06 1b4m n LEU 37 Cb 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1b4m n LEU 37 CO 0.00 1.89 -0.28 0.41 -0.00 0.00 0.00 177.39 179.41 1b4m n THR 38 N -0.05 -3.66 0.03 1.47 -1.04 -1.26 -4.42 114.28 105.35 1b4m n THR 38 Ca 0.09 1.48 0.00 0.00 -2.04 0.00 0.00 64.05 63.58 1b4m n THR 38 Cb 0.77 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 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 -0.93 0.00 -2.36 -2.82 7.27 -1.26 -4.32 117.38 112.95 1b4m n GLN 39 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.06 1b4m n GLN 39 Cb 0.00 -0.15 -0.01 0.00 2.41 0.00 0.00 30.24 32.50 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 -2.91-11.22 -3.84 1.69 -1.04 -1.17 -0.08 114.28 95.70 1b4m n THR 40 Ca 0.00 2.62 -0.32 0.00 -2.04 0.00 0.00 64.05 64.31 1b4m n THR 40 Cb 0.00 -5.43 -0.04 0.00 -1.82 0.00 0.00 70.33 63.04 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 -0.51 3.50 0.06 -2.82 2.36 0.27 -1.07 119.74 121.53 1b4m s LYS 41 Ca -0.04 -0.31 0.01 0.00 -2.55 0.00 0.00 55.97 53.08 1b4m s LYS 41 Cb 0.00 -3.00 -0.03 0.00 -1.05 0.00 0.00 37.83 33.74 1b4m s LYS 41 CO 0.10 0.59 -0.06 0.42 1.55 0.00 0.00 175.35 177.95 1b4m s ILE 42 N -1.50 0.46 -0.05 5.43 1.01 0.41 0.13 121.20 127.10 1b4m s ILE 42 Ca 0.35 -1.56 0.02 0.00 0.00 0.00 0.00 60.65 59.46 1b4m s ILE 42 Cb -0.13 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.16 1b4m s ILE 42 CO 0.25 -0.74 -0.10 -0.51 0.00 0.00 0.00 174.94 173.84 1b4m s ILE 43 N -2.86 0.97 -0.04 2.92 2.07 -1.26 0.17 121.20 123.16 1b4m s ILE 43 Ca 0.02 -0.40 -0.00 0.00 -1.41 0.00 0.00 60.65 58.85 1b4m s ILE 43 Cb 0.00 -0.89 0.03 0.00 0.13 0.00 0.00 42.46 41.73 1b4m s ILE 43 CO -0.04 0.31 0.01 -0.69 -1.91 0.00 0.00 174.94 172.62 1b4m s VAL 44 N 0.57 0.18 -0.43 4.00 1.01 -1.25 -3.16 120.40 121.32 1b4m s VAL 44 Ca -0.11 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1b4m s VAL 44 Cb -0.14 -0.31 0.14 0.00 0.00 0.00 0.00 36.38 36.07 1b4m s VAL 44 CO 0.02 0.18 0.25 -1.10 0.00 0.00 0.00 175.10 174.45 1b4m s GLN 45 N 1.42 1.12 -0.00 2.72 1.11 -1.26 -0.06 119.66 124.71 1b4m s GLN 45 Ca -0.04 -1.90 -0.24 0.00 0.01 0.00 0.00 55.36 53.18 1b4m s GLN 45 Cb -0.13 -2.05 -0.16 0.00 -1.01 0.00 0.00 33.01 29.66 1b4m s GLN 45 CO -0.03 -1.20 1.16 0.22 0.01 0.00 0.00 175.29 175.45 1b4m h ASP 46 N 6.65 -0.33 -0.07 5.90 3.58 -2.00 -3.47 116.42 126.68 1b4m h ASP 46 Ca 0.04 -0.20 0.28 0.00 0.42 0.00 0.00 57.03 57.57 1b4m h ASP 46 Cb 0.93 0.09 -0.20 0.00 1.72 0.00 0.00 39.33 41.87 1b4m h ASP 46 CO 0.43 0.07 0.19 -0.83 -2.88 0.00 0.00 179.24 176.22 1b4m s GLY 47 N -2.82 -0.44 -1.71 -0.78 0.00 -1.26 -4.92 107.32 95.39 1b4m s GLY 47 Ca -0.14 2.78 0.00 0.00 0.00 0.00 0.00 44.72 47.36 1b4m s GLY 47 CO 0.52 4.08 0.00 1.22 0.00 0.00 0.00 173.10 178.92 1b4m n ASP 48 N 5.28 -5.13 -4.22 1.64 8.00 -1.26 -4.94 116.55 115.93 1b4m n ASP 48 Ca -0.00 0.40 -0.17 0.00 0.71 0.00 0.00 54.79 55.73 1b4m n ASP 48 Cb 0.56 -4.05 -0.11 0.00 -0.02 0.00 0.00 41.12 37.51 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 -2.76 1.82 -0.29 -2.24 0.01 -1.26 -3.48 114.94 106.73 1b4m s ASN 49 Ca 0.00 -0.79 0.04 0.00 -0.71 0.00 0.00 52.86 51.40 1b4m s ASN 49 Cb 0.00 -0.05 0.18 0.00 0.41 0.00 0.00 41.25 41.79 1b4m s ASN 49 CO 0.00 -0.17 0.48 0.12 -1.51 0.00 0.00 177.10 176.02 1b4m s PHE 50 N -2.12 -1.32 -0.68 2.20 2.19 -1.22 -3.98 117.98 113.05 1b4m s PHE 50 Ca 0.07 0.59 0.05 0.00 0.33 0.00 0.00 56.93 57.97 1b4m s PHE 50 Cb -0.05 0.02 0.20 0.00 -1.31 0.00 0.00 43.02 41.88 1b4m s PHE 50 CO 0.02 -1.03 0.61 1.63 1.83 0.00 0.00 175.22 178.28 1b4m n LYS 51 N 5.37 2.13 -1.70 10.12 5.02 0.91 -3.62 118.16 136.39 1b4m n LYS 51 Ca 0.02 -4.57 -0.39 0.00 -2.02 0.00 0.00 58.31 51.35 1b4m n LYS 51 Cb 0.51 -2.27 0.03 0.00 -0.02 0.00 0.00 35.03 33.28 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 1.47 3.37 -3.87 -0.18 -1.04 -0.89 -3.81 114.28 109.33 1b4m n THR 52 Ca 0.24 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.65 1b4m n THR 52 Cb 0.38 -1.52 -0.09 0.00 -1.82 0.00 0.00 70.33 67.28 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 -2.62 0.58 0.17 -2.82 -2.85 0.44 0.21 119.74 112.85 1b4m s LYS 53 Ca 0.69 -0.55 0.05 0.00 -1.00 0.00 0.00 55.97 55.17 1b4m s LYS 53 Cb -0.45 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.52 1b4m s LYS 53 CO 0.52 -0.15 0.12 -0.08 0.10 0.00 0.00 175.35 175.86 1b4m s THR 54 N -2.03 4.38 -0.40 3.79 -1.32 -1.26 0.16 115.64 118.95 1b4m s THR 54 Ca -0.10 -1.15 0.11 0.00 -1.21 0.00 0.00 61.69 59.35 1b4m s THR 54 Cb -0.04 -3.24 0.42 0.00 -1.51 0.00 0.00 72.50 68.13 1b4m s THR 54 CO -0.01 -0.12 0.99 -3.20 -2.21 0.00 0.00 174.62 170.06 1b4m n ASN 55 N -0.36 2.96 0.00 8.08 2.85 -0.23 -4.83 115.26 123.73 1b4m n ASN 55 Ca -0.08 -3.24 0.00 0.00 -0.11 0.00 0.00 54.58 51.15 1b4m n ASN 55 Cb 0.55 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 41.05 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1b4m n SER 56 N -0.20 0.00 0.00 1.20 3.41 0.88 -4.47 113.62 114.43 1b4m n SER 56 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1b4m n SER 56 Cb 0.69 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1b4m n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b4m n THR 57 N 0.00 0.00 -0.05 6.66 -2.24 -1.26 -4.61 114.28 112.78 1b4m n THR 57 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1b4m n THR 57 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1b4m n THR 57 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1b4m h PHE 58 N 0.00 0.00 -2.73 4.78 -0.00 -1.86 -3.45 116.94 113.68 1b4m h PHE 58 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.97 57.44 1b4m h PHE 58 Cb 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 35.95 35.55 1b4m h PHE 58 CO 0.00 0.00 -0.79 1.03 -0.00 0.00 0.00 178.31 178.55 1b4m s ARG 59 N -1.65 0.25 -1.46 6.09 3.00 -1.26 -5.02 118.95 118.90 1b4m s ARG 59 Ca -0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 55.73 54.95 1b4m s ARG 59 Cb 0.00 -1.16 0.04 0.00 0.00 0.00 0.00 34.95 33.83 1b4m s ARG 59 CO 0.05 -1.05 2.39 0.09 0.00 0.00 0.00 175.30 176.78 1b4m n ASN 60 N 5.06 6.01 -4.38 0.23 3.02 -1.26 -4.81 115.26 119.13 1b4m n ASN 60 Ca -0.03 -2.85 -0.45 0.00 -0.03 0.00 0.00 54.58 51.22 1b4m n ASN 60 Cb 0.41 -1.56 -0.00 0.00 -0.61 0.00 0.00 39.78 38.02 1b4m n ASN 60 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1b4m s TYR 61 N 1.85 4.01 0.07 3.10 2.02 -1.26 -4.87 117.35 122.27 1b4m s TYR 61 Ca 0.53 -2.48 -0.30 0.00 -0.37 0.00 0.00 57.07 54.45 1b4m s TYR 61 Cb 0.15 -3.99 -0.05 0.00 -0.40 0.00 0.00 41.96 37.67 1b4m s TYR 61 CO -0.06 -1.09 0.98 0.16 -1.57 0.00 0.00 175.55 173.96 1b4m s ASP 62 N 1.84 7.43 -0.19 2.29 -4.77 -1.26 -4.72 116.67 117.29 1b4m s ASP 62 Ca 0.34 1.75 -0.36 0.00 -3.30 0.00 0.00 52.55 50.99 1b4m s ASP 62 Cb -0.08 -2.58 -0.12 0.00 -1.09 0.00 0.00 42.92 39.05 1b4m s ASP 62 CO -0.06 -0.16 1.91 -0.11 0.70 0.00 0.00 175.17 177.46 1b4m n LEU 63 N 3.26 2.98 -3.54 2.11 7.94 0.57 -4.88 117.00 125.45 1b4m n LEU 63 Ca 0.04 0.88 -0.28 0.00 -1.11 0.00 0.00 56.01 55.54 1b4m n LEU 63 Cb 0.50 -1.30 -0.11 0.00 0.53 0.00 0.00 43.42 43.03 1b4m n LEU 63 CO 0.52 -0.27 -0.27 -0.62 -1.11 0.00 0.00 177.39 175.63 1b4m s ASP 64 N 4.65 2.69 -0.24 1.96 -1.08 -1.26 -2.09 116.67 121.30 1b4m s ASP 64 Ca 0.97 -2.84 -0.27 0.00 -0.52 0.00 0.00 52.55 49.89 1b4m s ASP 64 Cb -0.80 -0.69 0.15 0.00 -1.46 0.00 0.00 42.92 40.12 1b4m s ASP 64 CO 0.54 -0.22 1.14 0.72 0.52 0.00 0.00 175.17 177.87 1b4m s PHE 65 N 0.20 -0.30 0.74 -5.34 -0.12 -1.24 -5.04 117.98 106.88 1b4m s PHE 65 Ca 0.25 0.64 -0.11 0.00 -0.05 0.00 0.00 56.93 57.65 1b4m s PHE 65 Cb -0.10 0.43 0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1b4m s PHE 65 CO -0.10 -0.21 1.08 0.99 -0.05 0.00 0.00 175.22 176.94 1b4m s THR 66 N -0.47 3.52 0.30 -4.49 2.01 -1.26 -3.40 115.64 111.85 1b4m s THR 66 Ca 0.03 0.49 -0.28 0.00 0.31 0.00 0.00 61.69 62.25 1b4m s THR 66 Cb -0.03 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1b4m s THR 66 CO -0.05 -0.65 1.00 0.54 -0.69 0.00 0.00 174.62 174.77 1b4m s VAL 67 N -3.19 3.90 -0.98 3.82 0.11 -1.23 -3.47 120.40 119.36 1b4m s VAL 67 Ca 0.59 1.73 0.00 0.00 -2.93 0.00 0.00 61.98 61.37 1b4m s VAL 67 Cb -0.13 -4.03 0.00 0.00 -1.53 0.00 0.00 36.38 30.69 1b4m s VAL 67 CO 0.54 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 173.19 1b4m n GLY 68 N 0.95 0.88 0.16 6.54 0.00 0.14 -4.74 105.19 109.12 1b4m n GLY 68 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1b4m n GLY 68 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b4m h VAL 69 N 0.00 0.00 -1.21 1.61 3.04 -1.77 -3.48 116.25 114.43 1b4m h VAL 69 Ca -0.19 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.64 1b4m h VAL 69 Cb 1.12 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.08 1b4m h VAL 69 CO 0.28 0.00 -0.28 -0.62 -1.01 0.00 0.00 177.57 175.93 1b4m n GLU 70 N -2.75 -1.54 -0.95 4.17 1.02 -1.26 -4.83 120.64 114.50 1b4m n GLU 70 Ca 0.03 1.11 -0.11 0.00 -0.02 0.00 0.00 57.16 58.18 1b4m n GLU 70 Cb 0.51 -1.23 0.20 0.00 -0.02 0.00 0.00 31.44 30.90 1b4m n GLU 70 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1b4m n PHE 71 N -0.25 1.84 0.00 -0.32 7.35 0.37 -4.97 117.46 121.47 1b4m n PHE 71 Ca 0.00 -1.64 0.00 0.00 -0.76 0.00 0.00 57.45 55.05 1b4m n PHE 71 Cb 0.00 -0.65 0.00 0.00 0.35 0.00 0.00 39.48 39.18 1b4m n PHE 71 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1b4m n ASP 72 N -1.05 0.00 -1.46 -2.13 9.92 0.39 -4.37 116.55 117.85 1b4m n ASP 72 Ca 0.42 0.00 0.19 0.00 -0.53 0.00 0.00 54.79 54.87 1b4m n ASP 72 Cb 1.27 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.69 1b4m n ASP 72 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1b4m n GLU 73 N 0.00 -3.07 -2.20 -1.24 4.71 0.24 -4.89 120.64 114.19 1b4m n GLU 73 Ca 0.00 2.21 -0.03 0.00 -0.01 0.00 0.00 57.16 59.33 1b4m n GLU 73 Cb 0.00 -3.69 0.00 0.00 -1.01 0.00 0.00 31.44 26.74 1b4m n GLU 73 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1b4m n HIS 74 N -4.29 -1.71 0.00 -0.32 8.25 -0.95 -4.81 115.22 111.39 1b4m n HIS 74 Ca -0.02 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1b4m n HIS 74 Cb 0.68 -2.80 0.00 0.00 1.12 0.00 0.00 29.99 28.99 1b4m n HIS 74 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b4m n THR 75 N -0.58 0.00 -1.41 1.59 -2.24 -1.15 -4.98 114.28 105.51 1b4m n THR 75 Ca 0.05 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.01 1b4m n THR 75 Cb 0.28 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 1b4m n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b4m n LYS 76 N -0.58 -3.08 -1.26 -0.78 5.02 -1.26 -4.83 118.16 111.39 1b4m n LYS 76 Ca 0.00 2.33 -0.09 0.00 -2.02 0.00 0.00 58.31 58.53 1b4m n LYS 76 Cb 0.00 -3.67 -0.04 0.00 -0.02 0.00 0.00 35.03 31.31 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b4m n GLY 77 N -4.27 1.07 0.35 0.72 0.00 -1.26 -4.38 105.19 97.42 1b4m n GLY 77 Ca -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.02 0.00 0.00 0.99 7.94 -1.26 -5.07 117.00 118.57 1b4m n LEU 78 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 1b4m n LEU 78 Cb 0.30 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.34 1b4m n LEU 78 CO 0.14 -0.09 0.00 -0.90 -1.11 0.00 0.00 177.39 175.43 1b4m n ASP 79 N -1.47 0.00 -0.84 1.96 5.68 -1.26 -4.58 116.55 116.04 1b4m n ASP 79 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1b4m n ASP 79 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b4m n GLY 80 N 2.28 -1.35 3.40 6.12 0.00 -1.26 -4.75 105.19 109.63 1b4m n GLY 80 Ca 0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 1b4m n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b4m s ARG 81 N -0.21 1.85 -0.67 1.61 1.81 -1.26 -4.85 118.95 117.23 1b4m s ARG 81 Ca 0.00 -1.88 0.06 0.00 -1.72 0.00 0.00 55.73 52.18 1b4m s ARG 81 Cb 0.00 0.39 0.21 0.00 -0.45 0.00 0.00 34.95 35.10 1b4m s ARG 81 CO 0.00 -0.73 0.62 0.09 -0.68 0.00 0.00 175.30 174.60 1b4m n ASN 82 N -1.49 3.33 -4.49 0.23 3.02 -1.26 -2.25 115.26 112.35 1b4m n ASN 82 Ca 0.04 -3.31 -0.33 0.00 -0.03 0.00 0.00 54.58 50.94 1b4m n ASN 82 Cb 0.62 -0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 38.95 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1b4m s VAL 83 N -1.95 3.18 0.01 2.41 1.01 -1.26 -4.71 120.40 119.08 1b4m s VAL 83 Ca 0.32 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1b4m s VAL 83 Cb 0.05 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1b4m s VAL 83 CO -0.09 0.59 0.64 1.17 0.00 0.00 0.00 175.10 177.40 1b4m n LYS 84 N 2.39 -0.02 -2.88 2.72 3.00 -1.26 0.79 118.16 122.90 1b4m n LYS 84 Ca -0.17 0.64 -0.02 0.00 -0.00 0.00 0.00 58.31 58.75 1b4m n LYS 84 Cb 0.52 -0.96 0.01 0.00 0.00 0.00 0.00 35.03 34.61 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 -2.76 -8.85 -3.11 3.15 -1.04 -1.25 0.15 114.28 100.57 1b4m n THR 85 Ca 0.00 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 1b4m n THR 85 Cb 0.01 -6.42 -0.07 0.00 -1.82 0.00 0.00 70.33 62.03 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 -3.94 4.35 0.21 -4.42 0.20 -1.17 0.14 118.68 114.05 1b4m s LEU 86 Ca 0.06 -0.05 -0.07 0.00 0.69 0.00 0.00 54.13 54.76 1b4m s LEU 86 Cb -0.01 -2.76 -0.06 0.00 -0.43 0.00 0.00 46.19 42.93 1b4m s LEU 86 CO 0.65 -0.67 0.49 -0.69 -0.29 0.00 0.00 176.35 175.84 1b4m s VAL 87 N 2.75 5.04 0.05 1.68 1.01 -1.26 -1.11 120.40 128.55 1b4m s VAL 87 Ca 0.24 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 1b4m s VAL 87 Cb -0.14 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.68 1b4m s VAL 87 CO 0.17 -0.10 0.78 0.28 0.00 0.00 0.00 175.10 176.22 1b4m s THR 88 N -1.83 0.00 0.30 3.92 -1.32 0.17 0.26 115.64 117.14 1b4m s THR 88 Ca 0.44 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.78 1b4m s THR 88 Cb -0.11 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.79 1b4m s THR 88 CO 0.25 0.00 0.71 0.26 -2.21 0.00 0.00 174.62 173.62 1b4m s TRP 89 N -3.17 3.40 -0.24 9.09 0.52 -1.26 0.34 118.94 127.61 1b4m s TRP 89 Ca 0.02 1.18 -0.12 0.00 0.02 0.00 0.00 56.10 57.21 1b4m s TRP 89 Cb -0.01 -2.50 -0.16 0.00 -1.15 0.00 0.00 33.47 29.65 1b4m s TRP 89 CO -0.09 0.14 -0.14 -1.91 0.02 0.00 0.00 176.95 174.97 1b4m n GLU 90 N -0.25 0.61 0.00 4.98 0.00 0.54 -4.80 120.64 121.72 1b4m n GLU 90 Ca 0.03 0.31 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1b4m n GLU 90 Cb 0.53 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 30.39 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 1.56 -0.01 1.37 8.31 0.00 -1.26 -4.88 105.19 110.28 1b4m n GLY 91 Ca -0.46 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.96 0.76 -3.48 1.61 6.94 -1.26 -4.86 115.26 113.00 1b4m n ASN 92 Ca 0.00 -1.99 -0.10 0.00 -0.02 0.00 0.00 54.58 52.46 1b4m n ASN 92 Cb 0.00 -0.25 -0.02 0.00 -2.36 0.00 0.00 39.78 37.15 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1b4m s THR 93 N 0.00 0.00 -0.39 5.53 -1.32 -1.26 -4.77 115.64 113.43 1b4m s THR 93 Ca 0.28 -0.08 -0.19 0.00 -1.21 0.00 0.00 61.69 60.49 1b4m s THR 93 Cb 0.32 -1.09 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 1b4m s THR 93 CO -0.14 0.00 0.55 -0.22 -2.21 0.00 0.00 174.62 172.59 1b4m s LEU 94 N -2.68 4.49 -0.08 9.08 0.20 -1.26 0.20 118.68 128.63 1b4m s LEU 94 Ca 0.03 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.65 1b4m s LEU 94 Cb -0.01 -2.60 -0.02 0.00 -0.43 0.00 0.00 46.19 43.13 1b4m s LEU 94 CO -0.10 -0.60 -0.19 -0.69 -0.29 0.00 0.00 176.35 174.48 1b4m s VAL 95 N 2.50 2.59 0.00 1.68 1.01 0.15 0.08 120.40 128.42 1b4m s VAL 95 Ca 0.19 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1b4m s VAL 95 Cb -0.15 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 1b4m s VAL 95 CO 0.15 0.56 -0.04 0.00 0.00 0.00 0.00 175.10 175.78 1b4m s VAL 97 N -0.21 1.22 -0.35 0.00 -7.23 -0.27 -3.59 120.40 109.98 1b4m s VAL 97 Ca 0.00 -1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 1b4m s VAL 97 Cb -0.02 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 1b4m s VAL 97 CO -0.00 -0.59 1.57 -1.10 -0.31 0.00 0.00 175.10 174.66 1b4m s GLN 98 N 1.45 3.55 0.27 4.82 -1.52 -1.26 -3.05 119.66 123.92 1b4m s GLN 98 Ca 0.08 1.23 0.03 0.00 -1.95 0.00 0.00 55.36 54.75 1b4m s GLN 98 Cb -0.18 -4.08 0.70 0.00 -0.22 0.00 0.00 33.01 29.24 1b4m s GLN 98 CO -0.19 -1.60 1.36 1.17 -0.25 0.00 0.00 175.29 175.78 1b4m n LYS 99 N 8.09 -0.07 0.00 2.91 4.81 -1.26 -4.49 118.16 128.15 1b4m n LYS 99 Ca 0.19 1.29 0.00 0.00 -0.87 0.00 0.00 58.31 58.92 1b4m n LYS 99 Cb 0.47 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1b4m n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b4m n GLY 100 N -1.42 1.90 2.39 3.14 0.00 -1.25 -4.82 105.19 105.13 1b4m n GLY 100 Ca 0.21 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 -0.85 0.00 1.61 2.13 -1.26 -3.09 120.64 119.18 1b4m n GLU 101 Ca 0.00 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1b4m n GLU 101 Cb 0.00 -4.52 0.00 0.00 0.27 0.00 0.00 31.44 27.19 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 -2.03 0.00 -3.47 5.31 -0.00 -1.26 -5.13 118.16 111.58 1b4m n LYS 102 Ca -0.07 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.01 1b4m n LYS 102 Cb 0.32 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.37 1b4m n LYS 102 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1b4m s GLU 103 N 0.00 2.27 -0.44 -1.58 2.02 -1.18 -4.98 118.70 114.82 1b4m s GLU 103 Ca 0.00 -1.84 0.05 0.00 0.02 0.00 0.00 54.97 53.20 1b4m s GLU 103 Cb 0.00 -2.37 0.18 0.00 0.10 0.00 0.00 34.13 32.04 1b4m s GLU 103 CO 0.00 -0.75 0.44 0.09 0.02 0.00 0.00 175.26 175.06 1b4m n ASN 104 N -2.01 -1.23 -0.60 -0.19 3.02 -1.26 -3.83 115.26 109.15 1b4m n ASN 104 Ca 0.07 -2.51 0.11 0.00 -0.03 0.00 0.00 54.58 52.22 1b4m n ASN 104 Cb 0.63 0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.85 1b4m n ASN 104 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1b4m n ARG 105 N 2.85 1.57 -1.51 3.52 3.00 -1.26 0.14 116.66 124.97 1b4m n ARG 105 Ca 0.27 -1.24 -0.42 0.00 -0.00 0.00 0.00 57.85 56.46 1b4m n ARG 105 Cb 0.50 -1.43 -0.07 0.00 0.00 0.00 0.00 32.46 31.45 1b4m n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1b4m n GLY 106 N 1.34 0.14 3.89 5.14 0.00 -1.25 -4.25 105.19 110.20 1b4m n GLY 106 Ca 0.10 0.87 -0.33 0.00 0.00 0.00 0.00 46.02 46.66 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 9.75 3.55 0.29 1.61 -2.14 -1.24 -2.85 118.94 127.92 1b4m s TRP 107 Ca 1.11 0.54 -0.19 0.00 2.66 0.00 0.00 56.10 60.23 1b4m s TRP 107 Cb -0.67 -1.98 0.06 0.00 -3.10 0.00 0.00 33.47 27.79 1b4m s TRP 107 CO 0.39 0.56 0.87 -1.59 -2.66 0.00 0.00 176.95 174.53 1b4m s LYS 108 N -2.06 1.82 0.26 3.25 0.00 -1.10 -2.31 119.74 119.60 1b4m s LYS 108 Ca 0.32 -1.15 -0.01 0.00 0.00 0.00 0.00 55.97 55.13 1b4m s LYS 108 Cb -0.13 0.53 -0.03 0.00 0.00 0.00 0.00 37.83 38.20 1b4m s LYS 108 CO 0.20 -0.85 0.27 -0.65 0.00 0.00 0.00 175.35 174.32 1b4m s GLN 109 N -2.51 1.49 0.00 1.78 1.11 0.11 -2.48 119.66 119.16 1b4m s GLN 109 Ca 0.17 -1.68 0.00 0.00 0.01 0.00 0.00 55.36 53.86 1b4m s GLN 109 Cb -0.04 0.34 0.01 0.00 -1.01 0.00 0.00 33.01 32.31 1b4m s GLN 109 CO 0.08 -0.55 0.75 -2.67 0.01 0.00 0.00 175.29 172.91 1b4m n TRP 110 N -0.41 0.00 -1.64 0.91 2.14 -1.26 -4.04 117.44 113.14 1b4m n TRP 110 Ca 0.03 -0.24 -0.07 0.00 2.07 0.00 0.00 57.50 59.29 1b4m n TRP 110 Cb 0.64 0.35 0.01 0.00 -0.81 0.00 0.00 31.31 31.50 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 0.01 -0.69 -1.87 -1.67 0.31 -1.26 -4.81 118.33 108.35 1b4m n VAL 111 Ca -0.13 0.01 -0.37 0.00 -0.01 0.00 0.00 64.34 63.84 1b4m n VAL 111 Cb 0.61 -0.63 -0.02 0.00 -0.91 0.00 0.00 33.84 32.89 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 -0.15 4.09 0.00 5.55 1.02 -1.00 -4.87 120.64 125.28 1b4m n GLU 112 Ca -0.02 -3.18 0.00 0.00 -0.02 0.00 0.00 57.16 53.93 1b4m n GLU 112 Cb 0.13 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 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 1.56 0.40 2.20 0.62 0.00 -1.26 -4.57 105.19 104.14 1b4m n GLY 113 Ca 0.60 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 6.60 -3.63 1.61 8.00 -1.26 -4.85 116.55 123.02 1b4m n ASP 114 Ca 0.00 -3.77 -0.08 0.00 0.71 0.00 0.00 54.79 51.65 1b4m n ASP 114 Cb 0.00 -0.76 -0.07 0.00 -0.02 0.00 0.00 41.12 40.27 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 -3.73 0.42 -0.09 -1.24 -2.85 -1.26 -0.28 119.74 110.71 1b4m s LYS 115 Ca 0.60 0.39 0.02 0.00 -1.00 0.00 0.00 55.97 55.99 1b4m s LYS 115 Cb 0.47 0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 36.43 1b4m s LYS 115 CO 0.01 -0.07 -0.16 -0.48 0.10 0.00 0.00 175.35 174.74 1b4m s LEU 116 N -0.11 2.57 -0.91 2.77 0.05 -1.26 -2.38 118.68 119.41 1b4m s LEU 116 Ca 0.03 -0.33 -0.24 0.00 0.05 0.00 0.00 54.13 53.63 1b4m s LEU 116 Cb -0.04 -1.54 0.03 0.00 -2.05 0.00 0.00 46.19 42.59 1b4m s LEU 116 CO -0.06 0.23 1.52 -0.31 -0.55 0.00 0.00 176.35 177.18 1b4m s TYR 117 N -0.06 2.30 -1.19 3.48 2.02 -1.26 -4.27 117.35 118.36 1b4m s TYR 117 Ca -0.04 -0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 56.14 1b4m s TYR 117 Cb -0.14 -4.54 -0.03 0.00 -0.40 0.00 0.00 41.96 36.85 1b4m s TYR 117 CO 0.04 -1.96 1.91 -0.11 -1.57 0.00 0.00 175.55 173.86 1b4m n LEU 118 N 10.06 4.40 -4.50 -1.29 0.00 -1.26 -4.09 117.00 120.32 1b4m n LEU 118 Ca 0.27 -3.51 -0.42 0.00 0.00 0.00 0.00 56.01 52.34 1b4m n LEU 118 Cb 0.50 -1.62 -0.04 0.00 0.00 0.00 0.00 43.42 42.26 1b4m n LEU 118 CO 0.66 -0.51 0.87 -1.61 0.00 0.00 0.00 177.39 176.81 1b4m s GLU 119 N 5.01 3.21 0.20 1.96 2.02 -1.04 -3.58 118.70 126.48 1b4m s GLU 119 Ca 0.59 -0.48 0.11 0.00 0.02 0.00 0.00 54.97 55.20 1b4m s GLU 119 Cb 0.06 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 1b4m s GLU 119 CO 0.08 -1.80 -0.22 -0.48 0.02 0.00 0.00 175.26 172.86 1b4m s LEU 120 N 4.48 2.50 0.26 1.80 2.34 -1.13 -2.71 118.68 126.22 1b4m s LEU 120 Ca 0.28 -0.85 0.09 0.00 0.06 0.00 0.00 54.13 53.71 1b4m s LEU 120 Cb -0.13 -1.21 -0.04 0.00 -0.56 0.00 0.00 46.19 44.24 1b4m s LEU 120 CO 0.15 0.11 0.03 -0.89 -1.06 0.00 0.00 176.35 174.69 1b4m s THR 121 N -1.74 3.61 -0.12 5.48 2.01 -1.13 -1.13 115.64 122.62 1b4m s THR 121 Ca 0.22 -1.83 0.13 0.00 0.31 0.00 0.00 61.69 60.52 1b4m s THR 121 Cb -0.08 -2.93 0.28 0.00 0.01 0.00 0.00 72.50 69.78 1b4m s THR 121 CO 0.11 -0.37 1.19 0.00 -0.69 0.00 0.00 174.62 174.85 1b4m n GLY 123 N -0.32 3.10 0.00 0.00 0.00 0.37 -4.26 105.19 104.08 1b4m n GLY 123 Ca -0.12 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1b4m n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 124 N 0.69 0.00 0.05 1.61 2.03 -1.26 -4.56 116.55 115.11 1b4m n ASP 124 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1b4m n ASP 124 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1b4m n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b4m n GLN 125 N 0.00 0.00 -3.43 -0.67 1.13 -1.26 -4.97 117.38 108.18 1b4m n GLN 125 Ca 0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1b4m n GLN 125 Cb 0.00 0.00 0.07 0.00 0.11 0.00 0.00 30.24 30.42 1b4m n GLN 125 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1b4m n VAL 126 N -2.65 -6.87 -1.64 5.09 0.31 -1.25 -4.86 118.33 106.46 1b4m n VAL 126 Ca 0.00 -0.83 -0.61 0.00 -0.01 0.00 0.00 64.34 62.88 1b4m n VAL 126 Cb 0.00 -5.29 -0.08 0.00 -0.91 0.00 0.00 33.84 27.55 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m s ARG 128 N 1.73 2.91 0.65 0.00 1.81 -1.26 -2.85 118.95 121.94 1b4m s ARG 128 Ca 0.97 -2.30 -0.13 0.00 -1.72 0.00 0.00 55.73 52.54 1b4m s ARG 128 Cb -1.29 -4.03 -0.01 0.00 -0.45 0.00 0.00 34.95 29.16 1b4m s ARG 128 CO 0.67 -1.22 1.06 -0.65 -0.68 0.00 0.00 175.30 174.48 1b4m s GLN 129 N 0.40 3.08 -0.38 3.54 -1.52 -1.24 -4.12 119.66 119.43 1b4m s GLN 129 Ca 0.14 1.10 0.02 0.00 -1.95 0.00 0.00 55.36 54.68 1b4m s GLN 129 Cb -0.18 -2.00 0.15 0.00 -0.22 0.00 0.00 33.01 30.75 1b4m s GLN 129 CO -0.04 -0.99 0.30 0.08 -0.25 0.00 0.00 175.29 174.38 1b4m s VAL 130 N -2.72 0.04 1.11 1.09 1.01 -1.23 -4.51 120.40 115.19 1b4m s VAL 130 Ca 0.61 -1.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 1b4m s VAL 130 Cb -0.15 -1.01 0.27 0.00 0.00 0.00 0.00 36.38 35.49 1b4m s VAL 130 CO 0.46 -0.93 1.09 0.49 0.00 0.00 0.00 175.10 176.21 1b4m n PHE 131 N 3.72 -3.89 -3.48 5.22 3.01 -1.26 -3.73 117.46 117.06 1b4m n PHE 131 Ca 0.17 -0.98 0.01 0.00 1.01 0.00 0.00 57.45 57.65 1b4m n PHE 131 Cb 0.42 -1.06 -0.04 0.00 -0.01 0.00 0.00 39.48 38.79 1b4m n PHE 131 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1b4m s LYS 132 N -5.46 0.37 -0.90 -1.08 0.00 -1.26 -4.80 119.74 106.61 1b4m s LYS 132 Ca 0.69 0.89 -0.24 0.00 0.00 0.00 0.00 55.97 57.30 1b4m s LYS 132 Cb -0.06 0.50 -0.04 0.00 0.00 0.00 0.00 37.83 38.24 1b4m s LYS 132 CO 0.51 -0.12 1.90 0.21 0.00 0.00 0.00 175.35 177.85 1b4m s LYS 133 N 2.45 2.65 0.00 1.78 2.20 0.61 -3.93 119.74 125.49 1b4m s LYS 133 Ca -0.04 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1b4m s LYS 133 Cb -0.07 -5.06 0.00 0.00 -1.51 0.00 0.00 37.83 31.19 1b4m s LYS 133 CO -0.18 -3.25 0.00 1.17 -0.36 0.00 0.00 175.35 172.74