#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klb n ILE 2 N 0.00-10.32 -2.47 -1.33 2.08 -0.95 -2.12 119.36 104.25 2klb n ILE 2 Ca 0.00 1.53 -0.41 0.00 0.56 0.00 0.00 62.75 64.43 2klb n ILE 2 Cb 0.00 -6.44 -0.03 0.00 -0.75 0.00 0.00 39.64 32.42 2klb n ILE 2 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2klb s GLY 3 N -1.36 0.79 -0.71 7.39 0.00 -0.88 -1.49 107.32 111.06 2klb s GLY 3 Ca 0.00 -1.21 -0.27 0.00 0.00 0.00 0.00 44.72 43.25 2klb s GLY 3 CO 0.65 2.77 1.35 0.14 0.00 0.00 0.00 173.10 178.01 2klb s VAL 4 N 6.23 3.69 -0.27 1.40 1.01 0.98 -0.40 120.40 133.04 2klb s VAL 4 Ca 0.41 0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 2klb s VAL 4 Cb -0.09 -4.78 -0.05 0.00 0.00 0.00 0.00 36.38 31.47 2klb s VAL 4 CO 0.17 -1.70 0.25 -0.36 0.00 0.00 0.00 175.10 173.45 2klb s PHE 5 N 6.13 3.25 0.34 5.22 0.08 0.66 -1.44 117.98 132.23 2klb s PHE 5 Ca 0.40 0.24 0.03 0.00 0.12 0.00 0.00 56.93 57.72 2klb s PHE 5 Cb -0.09 -2.42 -0.01 0.00 -0.57 0.00 0.00 43.02 39.93 2klb s PHE 5 CO 0.16 -0.14 0.38 2.48 -0.10 0.00 0.00 175.22 178.00 2klb n TYR 6 N 5.00 -1.10 -3.79 0.36 4.11 -1.22 -1.24 117.16 119.27 2klb n TYR 6 Ca -0.12 -2.60 -0.30 0.00 -0.00 0.00 0.00 57.90 54.88 2klb n TYR 6 Cb 0.52 0.41 -0.13 0.00 -0.00 0.00 0.00 39.34 40.13 2klb n TYR 6 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2klb s VAL 7 N -3.11 1.76 0.22 -3.48 1.01 -1.26 -1.89 120.40 113.65 2klb s VAL 7 Ca 0.35 -2.71 -0.18 0.00 0.00 0.00 0.00 61.98 59.43 2klb s VAL 7 Cb 0.01 -2.23 0.22 0.00 0.00 0.00 0.00 36.38 34.37 2klb s VAL 7 CO 0.25 -0.85 1.56 0.28 0.00 0.00 0.00 175.10 176.34 2klb h SER 8 N 6.76 -1.42 0.89 3.32 0.02 -1.94 0.18 113.55 121.37 2klb h SER 8 Ca -0.04 0.30 -0.08 0.00 -0.84 0.00 0.00 61.79 61.13 2klb h SER 8 Cb 0.92 0.74 -0.01 0.00 0.14 0.00 0.00 62.40 64.19 2klb h SER 8 CO 0.54 -0.29 -0.37 -0.08 -1.14 0.00 0.00 176.83 175.49 2klb h GLU 9 N -0.03 0.00 -6.41 3.45 4.81 -1.99 -3.33 114.58 111.09 2klb h GLU 9 Ca 0.33 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 59.01 2klb h GLU 9 Cb 0.59 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.89 2klb h GLU 9 CO -0.94 0.37 1.05 -0.47 -0.73 0.00 0.00 179.01 178.29 2klb s TYR 10 N -3.57 2.35 0.00 0.92 5.04 0.05 -4.92 117.35 117.23 2klb s TYR 10 Ca 0.00 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 2klb s TYR 10 Cb 0.11 -4.58 0.00 0.00 0.35 0.00 0.00 41.96 37.84 2klb s TYR 10 CO 0.69 -1.95 0.00 0.41 -1.34 0.00 0.00 175.55 173.36 2klb n GLY 11 N 5.30 0.86 0.00 8.97 0.00 -1.26 -2.56 105.19 116.49 2klb n GLY 11 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2klb n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2klb n TYR 12 N 0.00 0.00 -0.17 1.61 4.02 -1.26 -4.24 117.16 117.12 2klb n TYR 12 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 2klb n TYR 12 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 2klb n TYR 12 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2klb h SER 13 N 0.00 -1.40 0.06 7.72 0.87 -1.70 0.41 113.55 119.50 2klb h SER 13 Ca 0.00 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 2klb h SER 13 Cb 0.00 0.63 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2klb h SER 13 CO 0.00 -0.34 -0.14 -2.24 -0.53 0.00 0.00 176.83 173.58 2klb h ASP 14 N -0.26 0.16 -0.06 6.23 2.03 -1.74 -1.32 116.42 121.45 2klb h ASP 14 Ca 0.17 -0.03 -0.12 0.00 -0.73 0.00 0.00 57.03 56.32 2klb h ASP 14 Cb 0.57 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.02 2klb h ASP 14 CO -0.63 0.32 -0.35 0.03 -1.03 0.00 0.00 179.24 177.58 2klb h ARG 15 N 0.16 0.56 -0.21 4.15 2.47 -1.04 -2.25 114.38 118.22 2klb h ARG 15 Ca 0.03 -0.26 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 2klb h ARG 15 Cb 0.35 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2klb h ARG 15 CO 0.02 0.83 -0.18 -0.07 0.56 0.00 0.00 179.97 181.14 2klb h LEU 16 N 0.47 0.53 -0.71 3.04 3.38 0.39 -2.62 115.31 119.79 2klb h LEU 16 Ca 0.05 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.65 2klb h LEU 16 Cb 0.83 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 2klb h LEU 16 CO 0.07 0.87 0.36 0.00 0.09 0.00 0.00 178.44 179.83 2klb h ALA 17 N 0.67 0.97 -0.84 1.53 0.00 -1.22 0.14 119.26 120.51 2klb h ALA 17 Ca 0.04 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2klb h ALA 17 Cb 0.71 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2klb h ALA 17 CO 0.05 -0.03 0.45 0.37 0.00 0.00 0.00 179.25 180.09 2klb h GLN 18 N 0.61 0.67 0.03 0.00 4.15 -1.32 -2.14 115.11 117.12 2klb h GLN 18 Ca 0.34 -0.04 -0.21 0.00 0.77 0.00 0.00 58.65 59.51 2klb h GLN 18 Cb 0.34 -0.15 0.02 0.00 0.21 0.00 0.00 27.48 27.90 2klb h GLN 18 CO -0.26 0.44 -0.84 0.00 -1.93 0.00 0.00 178.83 176.25 2klb h ALA 19 N 1.52 0.07 0.31 3.38 0.00 -0.77 -3.21 119.26 120.55 2klb h ALA 19 Ca 0.44 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2klb h ALA 19 Cb 0.55 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2klb h ALA 19 CO -0.32 0.50 -0.15 0.82 0.00 0.00 0.00 179.25 180.10 2klb h ILE 20 N 0.08 0.71 -0.06 0.00 2.04 -0.62 -2.87 117.51 116.79 2klb h ILE 20 Ca -0.11 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.66 2klb h ILE 20 Cb 1.54 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2klb h ILE 20 CO 0.16 0.02 0.05 0.16 0.00 0.00 0.00 178.15 178.54 2klb h ILE 21 N -0.47 0.91 0.31 -0.67 3.07 -1.53 -2.81 117.51 116.32 2klb h ILE 21 Ca -0.04 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.36 2klb h ILE 21 Cb 0.35 0.97 -0.01 0.00 -0.27 0.00 0.00 36.82 37.86 2klb h ILE 21 CO 0.07 0.00 -0.25 -1.13 -1.05 0.00 0.00 178.15 175.78 2klb h ASN 22 N 0.00 -0.67 -0.19 2.16 -1.24 -1.50 -0.04 115.58 114.10 2klb h ASN 22 Ca 0.03 0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.11 2klb h ASN 22 Cb 0.12 0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 2klb h ASN 22 CO -0.00 -0.38 0.08 1.23 -1.29 0.00 0.00 177.43 177.07 2klb h GLY 23 N -0.57 0.24 1.25 1.57 0.00 -1.51 -0.92 103.07 103.13 2klb h GLY 23 Ca -0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 2klb h GLY 23 CO -0.02 0.05 0.08 -2.22 0.00 0.00 0.00 176.54 174.42 2klb h ILE 24 N 0.18 1.25 -0.50 2.60 2.04 -1.53 -0.90 117.51 120.65 2klb h ILE 24 Ca 0.08 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2klb h ILE 24 Cb 0.03 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2klb h ILE 24 CO -0.06 0.36 0.33 0.74 0.00 0.00 0.00 178.15 179.51 2klb h THR 25 N 0.87 1.13 0.00 -0.27 2.02 -0.68 -1.35 112.91 114.64 2klb h THR 25 Ca 0.18 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2klb h THR 25 Cb 0.41 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2klb h THR 25 CO 0.01 0.13 0.00 0.11 0.37 0.00 0.00 175.52 176.14 2klb h LYS 26 N 0.68 0.00 0.00 6.66 1.57 -0.82 -0.30 116.57 124.36 2klb h LYS 26 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2klb h LYS 26 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2klb h LYS 26 CO -0.04 0.00 -0.09 1.15 -0.57 0.00 0.00 179.45 179.90 2klb h THR 27 N 0.00 0.16 0.00 -0.16 2.02 -0.09 -3.48 112.91 111.36 2klb h THR 27 Ca 0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 2klb h THR 27 Cb 0.41 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2klb h THR 27 CO 0.00 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.58 2klb n GLY 28 N 0.84 1.57 3.33 2.16 0.00 -0.12 -5.09 105.19 107.89 2klb n GLY 28 Ca 0.03 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2klb n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2klb s VAL 29 N -2.00 2.10 -0.27 1.61 1.01 -0.95 -5.03 120.40 116.87 2klb s VAL 29 Ca 0.00 -1.28 -0.25 0.00 0.00 0.00 0.00 61.98 60.46 2klb s VAL 29 Cb 0.00 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 2klb s VAL 29 CO 0.00 0.45 0.84 -0.83 0.00 0.00 0.00 175.10 175.56 2klb s GLY 30 N -0.99 1.72 0.54 4.51 0.00 -1.26 -4.07 107.32 107.77 2klb s GLY 30 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.60 2klb s GLY 30 CO 0.01 1.84 0.79 -1.34 0.00 0.00 0.00 173.10 174.40 2klb s VAL 31 N 2.96 3.23 -0.27 1.40 -7.23 -1.25 0.12 120.40 119.37 2klb s VAL 31 Ca 0.35 -0.44 0.03 0.00 -1.81 0.00 0.00 61.98 60.10 2klb s VAL 31 Cb -0.15 -3.24 0.07 0.00 0.56 0.00 0.00 36.38 33.62 2klb s VAL 31 CO 0.10 -0.19 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.81 2klb s ASP 32 N -4.35 4.35 -0.38 4.85 1.01 -0.56 -4.60 116.67 117.00 2klb s ASP 32 Ca 0.54 -1.45 -0.22 0.00 0.71 0.00 0.00 52.55 52.13 2klb s ASP 32 Cb -0.10 -1.47 0.01 0.00 1.01 0.00 0.00 42.92 42.37 2klb s ASP 32 CO 0.40 -0.23 0.73 -0.69 0.21 0.00 0.00 175.17 175.60 2klb s VAL 33 N 1.15 4.76 -0.17 -1.27 1.01 -1.26 -0.01 120.40 124.61 2klb s VAL 33 Ca -0.05 0.66 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 2klb s VAL 33 Cb -0.20 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.05 2klb s VAL 33 CO -0.06 -0.47 0.09 -0.69 0.00 0.00 0.00 175.10 173.97 2klb s VAL 34 N 3.01 -0.10 -0.54 2.92 1.01 -0.52 -4.95 120.40 121.23 2klb s VAL 34 Ca 0.29 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 2klb s VAL 34 Cb -0.13 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.72 2klb s VAL 34 CO 0.18 -0.27 1.00 1.51 0.00 0.00 0.00 175.10 177.51 2klb s ASP 35 N 2.14 6.39 0.23 3.32 -4.77 -1.26 -3.46 116.67 119.27 2klb s ASP 35 Ca 0.02 -0.17 0.23 0.00 -3.30 0.00 0.00 52.55 49.33 2klb s ASP 35 Cb -0.16 -2.47 0.95 0.00 -1.09 0.00 0.00 42.92 40.15 2klb s ASP 35 CO -0.09 -1.26 1.69 0.00 0.70 0.00 0.00 175.17 176.22 2klb n LEU 36 N 7.64 0.61 0.13 2.11 -0.00 -0.84 -3.26 117.00 123.39 2klb n LEU 36 Ca 0.04 0.65 0.06 0.00 -0.00 0.00 0.00 56.01 56.76 2klb n LEU 36 Cb 0.48 -0.56 0.53 0.00 -0.00 0.00 0.00 43.42 43.87 2klb n LEU 36 CO 0.66 -0.52 1.12 1.23 -0.00 0.00 0.00 177.39 179.87 2klb h GLY 37 N 2.35 0.29 -1.22 1.47 0.00 -1.72 -0.75 103.07 103.49 2klb h GLY 37 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2klb h GLY 37 CO 0.00 0.11 0.00 0.00 0.00 0.00 0.00 176.54 176.65 2klb n ALA 38 N -2.51 2.52 -1.97 3.60 0.00 -1.20 -4.97 120.51 115.97 2klb n ALA 38 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 2klb n ALA 38 Cb 0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 2klb n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klb n ALA 39 N 0.38 -2.73 -2.11 0.00 0.00 -0.29 -5.02 120.51 110.74 2klb n ALA 39 Ca 0.10 0.74 -0.32 0.00 0.00 0.00 0.00 53.44 53.96 2klb n ALA 39 Cb 0.30 -1.66 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 2klb n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2klb s VAL 40 N -0.40 4.68 0.64 0.00 -7.23 -1.26 -5.03 120.40 111.80 2klb s VAL 40 Ca -0.06 0.93 0.03 0.00 -1.81 0.00 0.00 61.98 61.06 2klb s VAL 40 Cb 0.00 -3.64 0.09 0.00 0.56 0.00 0.00 36.38 33.40 2klb s VAL 40 CO 0.17 -0.29 0.88 -0.62 -0.31 0.00 0.00 175.10 174.93 2klb s ASP 41 N -2.50 4.76 0.60 4.85 2.15 -1.26 -4.92 116.67 120.36 2klb s ASP 41 Ca 0.54 -0.42 0.31 0.00 0.43 0.00 0.00 52.55 53.41 2klb s ASP 41 Cb -0.10 -0.13 1.75 0.00 -0.30 0.00 0.00 42.92 44.13 2klb s ASP 41 CO 0.21 -1.55 2.12 -0.07 -0.17 0.00 0.00 175.17 175.71 2klb h LEU 42 N -0.19 0.00 0.60 -1.34 -0.00 -1.98 -2.05 115.31 110.35 2klb h LEU 42 Ca -0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.49 2klb h LEU 42 Cb 1.28 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.94 2klb h LEU 42 CO 0.43 0.00 -0.29 1.56 -0.00 0.00 0.00 178.44 180.14 2klb h GLN 43 N 0.00 -0.78 -0.70 1.13 1.08 -1.99 0.21 115.11 114.06 2klb h GLN 43 Ca 0.06 0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2klb h GLN 43 Cb 0.43 0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 28.00 2klb h GLN 43 CO -0.00 -0.47 0.47 0.93 -0.95 0.00 0.00 178.83 178.80 2klb h GLU 44 N -0.96 0.92 -0.41 1.46 3.07 -1.84 -0.81 114.58 116.00 2klb h GLU 44 Ca -0.08 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 58.77 2klb h GLU 44 Cb 0.67 -0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 2klb h GLU 44 CO 0.14 0.61 0.14 1.25 -1.40 0.00 0.00 179.01 179.74 2klb h LEU 45 N 0.95 0.14 -0.72 1.33 6.46 -1.33 0.28 115.31 122.40 2klb h LEU 45 Ca 0.26 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.98 2klb h LEU 45 Cb -0.11 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 2klb h LEU 45 CO -0.06 0.11 0.02 -0.09 -0.62 0.00 0.00 178.44 177.81 2klb h ARG 46 N 0.30 1.00 -0.21 1.25 2.43 -0.23 -2.74 114.38 116.18 2klb h ARG 46 Ca 0.19 -0.29 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 2klb h ARG 46 Cb 0.18 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2klb h ARG 46 CO -0.20 0.97 -0.26 1.49 -1.51 0.00 0.00 179.97 180.45 2klb h GLU 47 N 0.92 0.41 -0.71 0.20 4.81 -0.72 -2.69 114.58 116.81 2klb h GLU 47 Ca 0.17 -0.15 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 2klb h GLU 47 Cb 0.51 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 2klb h GLU 47 CO 0.02 0.65 0.47 1.25 -0.73 0.00 0.00 179.01 180.67 2klb h LEU 48 N 0.36 0.45 -0.89 1.64 5.85 -0.64 -0.26 115.31 121.83 2klb h LEU 48 Ca 0.05 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.88 2klb h LEU 48 Cb 0.66 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 2klb h LEU 48 CO 0.05 0.26 0.53 0.58 -0.34 0.00 0.00 178.44 179.51 2klb h VAL 49 N 0.49 0.94 0.00 1.05 2.07 -1.44 0.99 116.25 120.35 2klb h VAL 49 Ca 0.33 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2klb h VAL 49 Cb 0.63 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2klb h VAL 49 CO -0.11 0.16 0.00 1.23 0.02 0.00 0.00 177.57 178.87 2klb h GLY 50 N 0.89 0.00 -2.35 2.17 0.00 -1.17 -3.03 103.07 99.57 2klb h GLY 50 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2klb h GLY 50 CO -0.24 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.84 2klb n ARG 51 N -2.60 2.53 0.00 4.80 5.12 -0.15 -4.64 116.66 121.73 2klb n ARG 51 Ca 0.04 -2.34 0.00 0.00 -1.93 0.00 0.00 57.85 53.62 2klb n ARG 51 Cb 0.40 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 2klb n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2klb h THR 53 N 0.00 1.27 -1.87 0.00 1.35 -1.86 -3.42 112.91 108.37 2klb h THR 53 Ca 0.00 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2klb h THR 53 Cb 0.01 1.32 -0.23 0.00 -1.73 0.00 0.00 68.15 67.53 2klb h THR 53 CO 0.00 0.42 0.21 -0.83 -0.25 0.00 0.00 175.52 175.07 2klb s GLY 54 N -3.97 -0.42 -0.12 5.82 0.00 -0.72 -2.20 107.32 105.71 2klb s GLY 54 Ca -0.07 2.32 -0.27 0.00 0.00 0.00 0.00 44.72 46.69 2klb s GLY 54 CO 0.80 1.91 0.65 0.48 0.00 0.00 0.00 173.10 176.94 2klb s LEU 55 N 0.58 -0.51 -0.20 0.66 2.34 0.00 -2.06 118.68 119.48 2klb s LEU 55 Ca -0.01 0.90 -0.00 0.00 0.06 0.00 0.00 54.13 55.08 2klb s LEU 55 Cb -0.05 2.36 0.02 0.00 -0.56 0.00 0.00 46.19 47.96 2klb s LEU 55 CO -0.05 -0.46 -0.15 -0.69 -1.06 0.00 0.00 176.35 173.94 2klb s VAL 56 N -0.65 2.40 -0.21 1.48 1.01 0.47 -0.08 120.40 124.81 2klb s VAL 56 Ca -0.07 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 2klb s VAL 56 Cb -0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2klb s VAL 56 CO 0.06 0.44 -0.05 -0.63 0.00 0.00 0.00 175.10 174.93 2klb s ILE 57 N 1.32 3.35 -0.66 2.22 1.09 0.06 -0.24 121.20 128.34 2klb s ILE 57 Ca 0.04 -0.50 -0.21 0.00 -1.10 0.00 0.00 60.65 58.88 2klb s ILE 57 Cb -0.14 -2.52 0.09 0.00 -1.06 0.00 0.00 42.46 38.83 2klb s ILE 57 CO -0.10 0.43 0.88 -0.83 -0.10 0.00 0.00 174.94 175.22 2klb s GLY 58 N 1.41 1.58 0.22 6.18 0.00 -0.37 -1.74 107.32 114.59 2klb s GLY 58 Ca 0.05 -2.07 -0.32 0.00 0.00 0.00 0.00 44.72 42.37 2klb s GLY 58 CO -0.03 1.87 1.55 -0.13 0.00 0.00 0.00 173.10 176.36 2klb n MET 59 N 7.06 2.31 -4.12 2.90 1.56 0.11 -4.37 117.12 122.58 2klb n MET 59 Ca -0.04 0.83 -0.15 0.00 -0.27 0.00 0.00 57.70 58.07 2klb n MET 59 Cb 0.45 -2.58 -0.12 0.00 2.15 0.00 0.00 33.22 33.12 2klb n MET 59 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2klb s SER 60 N 0.67 0.95 1.06 6.12 0.15 -1.26 -1.85 113.70 119.53 2klb s SER 60 Ca 0.72 -0.44 -0.20 0.00 0.70 0.00 0.00 55.95 56.72 2klb s SER 60 Cb -0.61 -0.01 0.01 0.00 -1.71 0.00 0.00 66.02 63.70 2klb s SER 60 CO 0.43 -0.11 -0.40 -2.65 1.20 0.00 0.00 173.24 171.71 2klb n PRO 61 N 1.83 -0.95 -0.33 5.44 -0.02 -1.26 -3.44 135.00 136.27 2klb n PRO 61 Ca -0.20 -0.26 0.23 0.00 -2.02 0.00 0.00 63.50 61.24 2klb n PRO 61 Cb 0.55 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 32.98 2klb n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klb h ALA 62 N -1.68 1.81 -0.66 3.55 0.00 -1.57 0.15 119.26 120.87 2klb h ALA 62 Ca -0.48 0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2klb h ALA 62 Cb 1.36 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 2klb h ALA 62 CO 0.33 -0.62 0.19 0.00 0.00 0.00 0.00 179.25 179.15 2klb h ALA 63 N 1.87 0.84 0.10 0.00 0.00 -1.87 0.20 119.26 120.40 2klb h ALA 63 Ca 0.71 0.12 -0.32 0.00 0.00 0.00 0.00 54.91 55.42 2klb h ALA 63 Cb 1.64 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2klb h ALA 63 CO -0.67 -0.26 -1.72 0.77 0.00 0.00 0.00 179.25 177.37 2klb h SER 64 N 0.33 0.33 0.07 0.00 0.02 -1.08 -3.35 113.55 109.87 2klb h SER 64 Ca 0.35 -0.57 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 2klb h SER 64 Cb 0.52 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 2klb h SER 64 CO -0.40 1.49 -0.03 0.00 -1.14 0.00 0.00 176.83 176.75 2klb h ALA 65 N 0.46 1.64 -0.42 3.77 0.00 -0.46 -2.59 119.26 121.65 2klb h ALA 65 Ca -0.31 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2klb h ALA 65 Cb 2.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 2klb h ALA 65 CO 0.12 0.04 0.19 0.00 0.00 0.00 0.00 179.25 179.61 2klb h ALA 66 N 1.97 0.51 -0.08 0.00 0.00 -0.75 0.16 119.26 121.07 2klb h ALA 66 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2klb h ALA 66 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2klb h ALA 66 CO 0.00 -0.18 -0.22 0.77 0.00 0.00 0.00 179.25 179.62 2klb h SER 67 N 0.39 0.12 -0.11 0.00 0.02 -1.68 -2.86 113.55 109.43 2klb h SER 67 Ca 0.18 -0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 60.88 2klb h SER 67 Cb 0.12 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.63 2klb h SER 67 CO -0.15 0.36 -0.78 0.40 -1.14 0.00 0.00 176.83 175.51 2klb h ILE 68 N 0.12 1.28 -0.77 3.27 2.04 -1.30 -3.31 117.51 118.85 2klb h ILE 68 Ca 0.02 -1.99 0.12 0.00 1.00 0.00 0.00 64.86 64.01 2klb h ILE 68 Cb 0.47 2.00 -0.09 0.00 -0.74 0.00 0.00 36.82 38.46 2klb h ILE 68 CO 0.03 0.63 0.36 -0.61 0.00 0.00 0.00 178.15 178.56 2klb h GLN 69 N 0.52 0.54 -0.61 2.37 4.15 -0.47 0.07 115.11 121.68 2klb h GLN 69 Ca -0.05 -0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.49 2klb h GLN 69 Cb 1.41 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.95 2klb h GLN 69 CO 0.16 0.36 0.43 0.78 -1.93 0.00 0.00 178.83 178.63 2klb h GLY 70 N 0.56 0.22 -0.19 2.39 0.00 -1.64 -1.09 103.07 103.32 2klb h GLY 70 Ca 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2klb h GLY 70 CO -0.34 0.02 -0.88 0.00 0.00 0.00 0.00 176.54 175.34 2klb n ALA 71 N -2.61 4.48 0.13 3.60 0.00 -0.25 -4.67 120.51 121.20 2klb n ALA 71 Ca 0.11 -0.59 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 2klb n ALA 71 Cb 0.59 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 2klb n ALA 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2klb h LEU 72 N 0.46 -0.90 -1.19 0.00 5.85 0.30 -0.01 115.31 119.82 2klb h LEU 72 Ca 0.00 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.90 2klb h LEU 72 Cb 0.54 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 2klb h LEU 72 CO 0.00 -0.41 0.57 0.28 -0.34 0.00 0.00 178.44 178.54 2klb h SER 73 N -0.56 0.84 -0.25 1.25 0.02 -1.83 0.72 113.55 113.74 2klb h SER 73 Ca 0.02 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2klb h SER 73 Cb 0.57 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2klb h SER 73 CO -0.16 0.52 0.03 0.74 -1.14 0.00 0.00 176.83 176.81 2klb h THR 74 N 0.94 1.24 -0.22 -2.27 2.02 -1.68 -1.20 112.91 111.73 2klb h THR 74 Ca 0.39 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2klb h THR 74 Cb 0.30 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2klb h THR 74 CO -0.16 0.25 0.10 0.40 0.37 0.00 0.00 175.52 176.49 2klb h ILE 75 N 0.22 1.15 0.00 3.11 2.04 -0.34 -1.59 117.51 122.09 2klb h ILE 75 Ca 0.07 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2klb h ILE 75 Cb 0.35 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2klb h ILE 75 CO 0.01 0.14 -0.03 -0.07 0.00 0.00 0.00 178.15 178.20 2klb h LEU 76 N 0.22 0.00 -0.39 1.44 3.38 -0.86 0.44 115.31 119.53 2klb h LEU 76 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2klb h LEU 76 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2klb h LEU 76 CO -0.01 0.03 0.00 1.23 0.09 0.00 0.00 178.44 179.79 2klb h GLY 77 N 0.11 0.00 0.66 0.83 0.00 -0.75 -3.32 103.07 100.59 2klb h GLY 77 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2klb h GLY 77 CO 0.00 0.00 -1.96 1.44 0.00 0.00 0.00 176.54 176.02 2klb n SER 78 N -3.03 1.86 -4.77 0.19 7.64 -0.04 -4.94 113.62 110.53 2klb n SER 78 Ca 0.03 0.24 -0.39 0.00 1.01 0.00 0.00 58.87 59.76 2klb n SER 78 Cb 0.46 -0.68 -0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2klb n SER 78 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2klb s VAL 79 N -2.56 2.66 0.33 0.44 -7.23 -0.14 -5.02 120.40 108.88 2klb s VAL 79 Ca -0.19 0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 60.38 2klb s VAL 79 Cb 0.07 -3.33 0.05 0.00 0.56 0.00 0.00 36.38 33.73 2klb s VAL 79 CO 0.78 0.07 0.81 0.54 -0.31 0.00 0.00 175.10 176.99 2klb s ASN 80 N -0.83 -0.07 0.41 4.85 6.03 -1.26 -4.97 114.94 119.11 2klb s ASN 80 Ca 0.58 -0.93 0.00 0.00 -1.03 0.00 0.00 52.86 51.48 2klb s ASN 80 Cb -0.37 0.76 0.00 0.00 -3.03 0.00 0.00 41.25 38.62 2klb s ASN 80 CO 0.47 -1.49 0.00 1.21 -2.03 0.00 0.00 177.10 175.26 2klb n GLU 81 N -0.53 0.00 -1.59 3.55 0.00 -1.26 -3.50 120.64 117.31 2klb n GLU 81 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.09 2klb n GLU 81 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 2klb n GLU 81 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2klb n LYS 82 N 0.00 0.06 -0.41 5.31 -0.00 -1.26 -4.96 118.16 116.90 2klb n LYS 82 Ca 0.00 -0.07 -0.28 0.00 -0.00 0.00 0.00 58.31 57.96 2klb n LYS 82 Cb 0.00 0.02 0.24 0.00 -0.00 0.00 0.00 35.03 35.29 2klb n LYS 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2klb n GLN 83 N -0.09 -3.35 -2.87 -1.58 3.00 -1.23 -4.88 117.38 106.38 2klb n GLN 83 Ca -0.02 -0.98 -0.43 0.00 -0.01 0.00 0.00 57.00 55.56 2klb n GLN 83 Cb 0.52 -1.86 -0.04 0.00 0.00 0.00 0.00 30.24 28.86 2klb n GLN 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2klb s ALA 84 N -2.19 3.16 -0.40 -1.58 0.00 -0.93 -4.83 121.76 114.98 2klb s ALA 84 Ca 0.60 -2.00 -0.08 0.00 0.00 0.00 0.00 51.96 50.49 2klb s ALA 84 Cb -0.14 -3.88 0.08 0.00 0.00 0.00 0.00 23.12 19.17 2klb s ALA 84 CO 0.56 -2.80 0.22 0.14 0.00 0.00 0.00 175.76 173.88 2klb s VAL 85 N 3.83 3.97 -1.27 0.00 -7.23 -1.26 -0.82 120.40 117.62 2klb s VAL 85 Ca 0.23 -1.47 -0.15 0.00 -1.81 0.00 0.00 61.98 58.79 2klb s VAL 85 Cb -0.15 -3.44 0.12 0.00 0.56 0.00 0.00 36.38 33.47 2klb s VAL 85 CO 0.07 -0.47 1.63 0.61 -0.31 0.00 0.00 175.10 176.63 2klb n GLY 86 N 4.84 3.19 3.67 2.32 0.00 0.88 -4.40 105.19 115.70 2klb n GLY 86 Ca -0.09 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 2klb n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2klb s ILE 87 N 2.68 4.78 0.18 -0.61 -1.09 -1.26 -0.76 121.20 125.11 2klb s ILE 87 Ca 0.47 1.89 -0.16 0.00 -2.23 0.00 0.00 60.65 60.63 2klb s ILE 87 Cb 0.02 -4.25 0.02 0.00 -1.58 0.00 0.00 42.46 36.67 2klb s ILE 87 CO 0.03 -0.06 0.46 0.72 -1.23 0.00 0.00 174.94 174.86 2klb s PHE 88 N 2.55 -0.02 0.04 3.97 -0.71 -0.71 -0.23 117.98 122.87 2klb s PHE 88 Ca 0.43 -0.33 -0.26 0.00 -1.04 0.00 0.00 56.93 55.73 2klb s PHE 88 Cb -0.16 0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 41.88 2klb s PHE 88 CO 0.11 -0.86 0.80 -1.21 -1.34 0.00 0.00 175.22 172.73 2klb s GLU 89 N -3.89 4.52 0.00 1.99 8.01 -1.26 0.09 118.70 128.17 2klb s GLU 89 Ca 0.10 1.13 0.14 0.00 0.01 0.00 0.00 54.97 56.35 2klb s GLU 89 Cb 0.00 -3.38 0.54 0.00 -4.31 0.00 0.00 34.13 26.97 2klb s GLU 89 CO -0.03 0.22 1.39 -2.37 0.01 0.00 0.00 175.26 174.48 2klb n THR 90 N 3.01 0.25 0.00 3.63 5.66 -0.77 -4.78 114.28 121.28 2klb n THR 90 Ca -0.01 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2klb n THR 90 Cb 0.50 0.18 0.00 0.00 -1.55 0.00 0.00 70.33 69.47 2klb n THR 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2klb n GLY 91 N 0.98 -2.03 0.00 1.09 0.00 -1.26 -4.41 105.19 99.56 2klb n GLY 91 Ca 0.12 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.82 2klb n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 92 N 0.00 3.73 0.00 -0.02 0.00 -1.26 -2.53 105.19 105.11 2klb n GLY 92 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2klb n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 93 N 0.00 2.98 3.63 -0.02 0.00 -1.26 -3.54 105.19 106.99 2klb n GLY 93 Ca 0.00 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 2klb n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2klb s ASP 94 N 2.00 6.37 0.25 1.61 1.11 -1.26 -4.87 116.67 121.88 2klb s ASP 94 Ca 0.00 0.44 -0.07 0.00 0.18 0.00 0.00 52.55 53.11 2klb s ASP 94 Cb 0.00 -2.24 -0.02 0.00 1.07 0.00 0.00 42.92 41.73 2klb s ASP 94 CO 0.00 -0.19 0.36 1.51 1.18 0.00 0.00 175.17 178.03 2klb s ASP 95 N 1.43 0.23 -0.23 0.27 -4.77 -1.26 -1.33 116.67 111.00 2klb s ASP 95 Ca 0.18 -1.20 -0.05 0.00 -3.30 0.00 0.00 52.55 48.18 2klb s ASP 95 Cb -0.15 0.54 -0.13 0.00 -1.09 0.00 0.00 42.92 42.09 2klb s ASP 95 CO 0.09 -1.07 -0.25 -0.62 0.70 0.00 0.00 175.17 174.02 2klb n GLU 96 N -0.39 0.53 0.07 2.11 1.02 -1.26 -4.61 120.64 118.11 2klb n GLU 96 Ca 0.00 0.17 0.06 0.00 -0.02 0.00 0.00 57.16 57.37 2klb n GLU 96 Cb 0.63 -1.40 0.30 0.00 -0.02 0.00 0.00 31.44 30.95 2klb n GLU 96 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2klb n PRO 97 N -3.57 0.07 -0.03 3.49 -0.04 -1.26 -3.46 135.00 130.20 2klb n PRO 97 Ca -0.43 0.49 -0.08 0.00 -0.04 0.00 0.00 63.50 63.44 2klb n PRO 97 Cb 0.88 -1.69 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 2klb n PRO 97 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2klb h ILE 98 N 0.00 0.59 0.42 0.52 6.09 -2.00 -0.69 117.51 122.45 2klb h ILE 98 Ca 0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 2klb h ILE 98 Cb 0.09 0.59 0.00 0.00 0.47 0.00 0.00 36.82 37.97 2klb h ILE 98 CO 0.00 0.00 -0.20 0.44 -3.07 0.00 0.00 178.15 175.32 2klb h ASP 99 N -0.16 -0.48 -0.72 2.19 5.19 -1.91 -1.19 116.42 119.35 2klb h ASP 99 Ca 0.11 -0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.57 2klb h ASP 99 Cb 0.32 0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.91 2klb h ASP 99 CO -0.28 -0.28 0.47 -0.65 -3.12 0.00 0.00 179.24 175.39 2klb h PRO 100 N -0.66 0.66 0.57 3.56 0.11 -1.77 -0.26 132.00 134.21 2klb h PRO 100 Ca -0.06 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 2klb h PRO 100 Cb 0.48 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.45 2klb h PRO 100 CO 0.10 0.44 -0.27 1.25 -0.21 0.00 0.00 178.00 179.30 2klb h LEU 101 N 0.68 -0.65 -0.56 2.35 5.85 -0.89 -1.40 115.31 120.69 2klb h LEU 101 Ca 0.32 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2klb h LEU 101 Cb 0.37 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2klb h LEU 101 CO -0.11 -0.35 0.31 -0.07 -0.34 0.00 0.00 178.44 177.88 2klb h LEU 102 N -0.94 0.48 -1.22 2.25 3.38 -1.04 -2.02 115.31 116.21 2klb h LEU 102 Ca -0.08 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.01 2klb h LEU 102 Cb 0.64 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 2klb h LEU 102 CO 0.13 0.33 0.57 -1.28 0.09 0.00 0.00 178.44 178.28 2klb h SER 103 N 0.61 0.77 0.52 -0.43 0.87 -1.02 -0.30 113.55 114.57 2klb h SER 103 Ca 0.24 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 2klb h SER 103 Cb 0.09 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2klb h SER 103 CO -0.13 0.45 -0.25 0.50 -0.53 0.00 0.00 176.83 176.86 2klb h LYS 104 N 0.85 -0.67 -0.11 2.24 1.63 -0.55 -3.14 116.57 116.82 2klb h LYS 104 Ca 0.41 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.29 2klb h LYS 104 Cb 0.45 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2klb h LYS 104 CO -0.18 -0.39 0.10 0.74 -3.45 0.00 0.00 179.45 176.27 2klb h PHE 105 N -1.11 0.00 -0.39 1.91 0.04 -1.32 -1.20 116.94 114.87 2klb h PHE 105 Ca -0.07 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.78 2klb h PHE 105 Cb 0.59 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.66 2klb h PHE 105 CO 0.01 0.00 -0.11 -0.09 -0.60 0.00 0.00 178.31 177.52 2klb h ARG 106 N 0.00 -0.01 -0.00 1.51 2.43 -1.00 0.11 114.38 117.41 2klb h ARG 106 Ca 0.05 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.97 2klb h ARG 106 Cb 0.26 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2klb h ARG 106 CO -0.00 -0.01 -0.98 -0.91 -1.51 0.00 0.00 179.97 176.56 2klb h ASN 107 N -0.01 0.87 -1.00 -3.80 4.21 -1.23 -3.28 115.58 111.34 2klb h ASN 107 Ca 0.19 -0.74 0.02 0.00 1.21 0.00 0.00 56.30 56.98 2klb h ASN 107 Cb 0.30 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 37.18 2klb h ASN 107 CO -0.41 1.50 0.66 -0.07 -1.29 0.00 0.00 177.43 177.82 2klb h LEU 108 N 0.34 1.13 -0.20 1.61 4.07 -1.18 -3.47 115.31 117.60 2klb h LEU 108 Ca -0.12 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2klb h LEU 108 Cb 1.64 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 43.11 2klb h LEU 108 CO 0.19 0.80 0.00 0.61 -1.08 0.00 0.00 178.44 178.96 2klb n GLY 109 N -1.37 0.51 3.93 0.83 0.00 0.36 -5.05 105.19 104.40 2klb n GLY 109 Ca 0.13 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 2klb n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klb s LEU 110 N -0.20 3.32 -0.17 0.99 1.02 -1.24 -5.05 118.68 117.35 2klb s LEU 110 Ca 0.00 0.50 -0.29 0.00 0.02 0.00 0.00 54.13 54.36 2klb s LEU 110 Cb 0.00 -3.33 -0.00 0.00 0.02 0.00 0.00 46.19 42.88 2klb s LEU 110 CO 0.00 -1.01 1.01 -0.89 0.02 0.00 0.00 176.35 175.48 2klb s THR 111 N -2.86 4.74 -0.36 5.49 2.01 -1.26 -4.98 115.64 118.42 2klb s THR 111 Ca 0.53 2.01 -0.11 0.00 0.31 0.00 0.00 61.69 64.43 2klb s THR 111 Cb -0.10 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.12 2klb s THR 111 CO 0.42 -0.08 0.20 0.42 -0.69 0.00 0.00 174.62 174.90 2klb s THR 112 N 2.59 4.73 0.17 -0.82 -4.23 -1.26 -4.62 115.64 112.19 2klb s THR 112 Ca 0.46 -0.65 -0.15 0.00 -1.18 0.00 0.00 61.69 60.17 2klb s THR 112 Cb -0.17 -3.55 0.09 0.00 1.34 0.00 0.00 72.50 70.21 2klb s THR 112 CO 0.12 -0.13 1.70 0.00 -0.54 0.00 0.00 174.62 175.76 2klb h ALA 113 N 8.44 0.40 -4.02 3.99 0.00 -1.73 -3.41 119.26 122.92 2klb h ALA 113 Ca -0.28 0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 2klb h ALA 113 Cb 1.12 0.21 -0.26 0.00 0.00 0.00 0.00 17.79 18.86 2klb h ALA 113 CO 0.66 -0.39 -0.83 -0.06 0.00 0.00 0.00 179.25 178.63 2klb s PHE 114 N -6.18 1.65 -2.00 0.00 0.40 0.68 -5.00 117.98 107.54 2klb s PHE 114 Ca -0.13 -0.36 0.08 0.00 -0.60 0.00 0.00 56.93 55.92 2klb s PHE 114 Cb 0.14 -0.99 0.50 0.00 0.51 0.00 0.00 43.02 43.18 2klb s PHE 114 CO 0.71 0.07 0.95 -2.30 0.70 0.00 0.00 175.22 175.35 2klb n PRO 115 N 1.95 0.51 -0.74 0.24 -0.02 -1.26 -4.61 135.00 131.06 2klb n PRO 115 Ca -0.17 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.40 2klb n PRO 115 Cb 0.54 -1.26 -0.05 0.00 -0.02 0.00 0.00 33.50 32.71 2klb n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klb n ALA 116 N -0.76 -1.92 -2.73 3.55 0.00 -1.26 -4.81 120.51 112.57 2klb n ALA 116 Ca 0.06 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.91 2klb n ALA 116 Cb 0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 2klb n ALA 116 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2klb n ILE 117 N -3.17 -0.15 0.60 0.00 -5.35 -1.26 -4.76 119.36 105.26 2klb n ILE 117 Ca -0.05 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.49 2klb n ILE 117 Cb 0.35 -0.44 -0.04 0.00 -1.74 0.00 0.00 39.64 37.77 2klb n ILE 117 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2klb n ARG 118 N -2.76 2.43 -3.44 6.28 -4.01 -1.26 -4.97 116.66 108.92 2klb n ARG 118 Ca -0.01 -0.29 -0.35 0.00 -1.04 0.00 0.00 57.85 56.16 2klb n ARG 118 Cb 0.52 -1.13 -0.06 0.00 -3.04 0.00 0.00 32.46 28.74 2klb n ARG 118 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 2klb s ILE 119 N -1.98 4.95 -0.71 8.89 1.01 -1.26 -5.01 121.20 127.09 2klb s ILE 119 Ca 0.07 0.70 -0.05 0.00 0.00 0.00 0.00 60.65 61.37 2klb s ILE 119 Cb 0.10 -3.70 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 2klb s ILE 119 CO 0.45 0.27 2.86 2.29 0.00 0.00 0.00 174.94 180.81 2klb n LYS 120 N 0.88 3.02 0.00 2.79 2.85 -1.26 -4.60 118.16 121.85 2klb n LYS 120 Ca -0.07 -2.37 0.00 0.00 -1.05 0.00 0.00 58.31 54.83 2klb n LYS 120 Cb 0.52 -2.31 0.00 0.00 -0.65 0.00 0.00 35.03 32.59 2klb n LYS 120 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2klb n GLN 121 N 1.66 0.00 -3.38 -1.58 -0.06 -1.05 -4.89 117.38 108.09 2klb n GLN 121 Ca 0.54 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 55.14 2klb n GLN 121 Cb 0.51 -0.04 -0.09 0.00 -4.06 0.00 0.00 30.24 26.56 2klb n GLN 121 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2klb s THR 122 N 0.00 5.15 0.34 1.69 -4.23 -1.26 -4.10 115.64 113.24 2klb s THR 122 Ca 0.00 0.26 -0.28 0.00 -1.18 0.00 0.00 61.69 60.48 2klb s THR 122 Cb 0.00 -3.80 -0.10 0.00 1.34 0.00 0.00 72.50 69.94 2klb s THR 122 CO 0.00 -0.03 1.35 -2.84 -0.54 0.00 0.00 174.62 172.56 2klb s PRO 123 N 2.09 4.29 0.55 3.99 0.02 -1.26 -5.03 135.00 139.63 2klb s PRO 123 Ca 0.14 2.30 0.05 0.00 0.02 0.00 0.00 61.00 63.50 2klb s PRO 123 Cb -0.16 -3.04 0.04 0.00 0.02 0.00 0.00 34.50 31.36 2klb s PRO 123 CO 0.11 -0.28 0.35 0.95 -0.33 0.00 0.00 177.00 177.80 2klb s THR 124 N -1.14 1.53 0.50 0.99 -4.23 -1.26 -4.92 115.64 107.11 2klb s THR 124 Ca 0.50 -1.57 0.22 0.00 -1.18 0.00 0.00 61.69 59.66 2klb s THR 124 Cb -0.41 -2.10 0.38 0.00 1.34 0.00 0.00 72.50 71.71 2klb s THR 124 CO 0.55 0.00 1.98 -0.08 -0.54 0.00 0.00 174.62 176.53 2klb h GLU 125 N 0.82 0.13 -0.43 3.99 4.81 -2.02 -1.09 114.58 120.79 2klb h GLU 125 Ca -0.38 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.72 2klb h GLU 125 Cb 1.31 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2klb h GLU 125 CO 0.59 0.09 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.84 2klb h ASN 126 N 0.13 0.94 -0.91 1.04 4.21 -2.01 -3.04 115.58 115.94 2klb h ASN 126 Ca 0.28 -0.40 0.20 0.00 1.21 0.00 0.00 56.30 57.59 2klb h ASN 126 Cb 0.91 -0.26 -0.07 0.00 -1.12 0.00 0.00 38.32 37.78 2klb h ASN 126 CO -0.04 1.13 0.60 0.74 -1.29 0.00 0.00 177.43 178.58 2klb h THR 127 N 0.74 0.68 0.43 2.81 2.02 -1.57 -0.95 112.91 117.07 2klb h THR 127 Ca 0.10 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2klb h THR 127 Cb 0.78 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2klb h THR 127 CO 0.06 0.08 -0.35 1.88 0.37 0.00 0.00 175.52 177.56 2klb h TYR 128 N 0.42 -0.95 -0.65 3.16 -1.99 -1.51 -1.30 116.97 114.16 2klb h TYR 128 Ca 0.48 0.00 0.12 0.00 2.00 0.00 0.00 58.73 61.33 2klb h TYR 128 Cb 1.16 0.36 -0.09 0.00 2.00 0.00 0.00 36.73 40.16 2klb h TYR 128 CO -0.00 -0.49 0.18 -0.22 -0.00 0.00 0.00 178.16 177.64 2klb h LYS 129 N -0.76 0.31 0.92 4.88 3.11 -1.29 0.44 116.57 124.19 2klb h LYS 129 Ca -0.06 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.72 2klb h LYS 129 Cb 0.63 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.80 2klb h LYS 129 CO 0.00 0.21 -0.48 -0.07 -2.81 0.00 0.00 179.45 176.30 2klb h LEU 130 N 0.32 -1.18 -0.99 5.20 -0.00 -1.25 -2.03 115.31 115.39 2klb h LEU 130 Ca 0.34 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.28 2klb h LEU 130 Cb 0.51 0.32 -0.05 0.00 -0.00 0.00 0.00 40.66 41.44 2klb h LEU 130 CO -0.40 -0.79 0.61 0.00 -0.00 0.00 0.00 178.44 177.86 2klb h GLU 132 N 1.32 -0.08 -0.07 0.00 5.08 -0.89 -0.48 114.58 119.45 2klb h GLU 132 Ca 0.35 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.59 2klb h GLU 132 Cb -0.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2klb h GLU 132 CO -0.07 -0.06 -0.53 0.93 -1.00 0.00 0.00 179.01 178.28 2klb h GLU 133 N -0.09 0.21 -0.17 2.33 5.08 -1.40 0.15 114.58 120.69 2klb h GLU 133 Ca -0.01 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 2klb h GLU 133 Cb 0.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2klb h GLU 133 CO 0.01 0.69 -0.39 0.00 -1.00 0.00 0.00 179.01 178.33 2klb h ALA 134 N 1.29 0.28 -0.57 3.43 0.00 -1.35 -1.97 119.26 120.38 2klb h ALA 134 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 2klb h ALA 134 Cb 0.99 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2klb h ALA 134 CO 0.08 0.37 0.06 0.78 0.00 0.00 0.00 179.25 180.54 2klb h GLY 135 N 0.22 1.00 0.91 0.00 0.00 -0.88 0.16 103.07 104.47 2klb h GLY 135 Ca 0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 2klb h GLY 135 CO 0.09 0.61 0.04 -0.84 0.00 0.00 0.00 176.54 176.43 2klb h THR 136 N 0.87 1.10 -0.78 4.70 2.02 -0.72 0.33 112.91 120.42 2klb h THR 136 Ca 0.17 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2klb h THR 136 Cb 0.43 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 2klb h THR 136 CO 0.01 0.08 0.44 -0.78 0.37 0.00 0.00 175.52 175.65 2klb h ASP 137 N 0.01 0.96 -0.66 4.18 3.58 -1.24 0.16 116.42 123.40 2klb h ASP 137 Ca 0.03 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.44 2klb h ASP 137 Cb 0.10 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 2klb h ASP 137 CO -0.00 0.76 0.41 0.25 -2.88 0.00 0.00 179.24 177.77 2klb h LEU 138 N 1.09 0.66 -0.67 2.28 7.12 -0.68 -2.48 115.31 122.63 2klb h LEU 138 Ca 0.28 0.00 -0.14 0.00 0.13 0.00 0.00 57.88 58.15 2klb h LEU 138 Cb 0.00 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 2klb h LEU 138 CO -0.05 0.46 -0.54 1.23 -0.13 0.00 0.00 178.44 179.41 2klb h GLY 139 N 0.79 0.38 0.78 3.75 0.00 -0.12 -3.24 103.07 105.41 2klb h GLY 139 Ca 0.27 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.21 2klb h GLY 139 CO -0.11 0.39 0.35 1.46 0.00 0.00 0.00 176.54 178.63 2klb h GLN 140 N 0.27 0.66 -0.16 4.80 4.20 -0.28 -2.16 115.11 122.45 2klb h GLN 140 Ca 0.01 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.71 2klb h GLN 140 Cb 1.03 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.63 2klb h GLN 140 CO 0.09 0.44 -0.08 2.35 -0.67 0.00 0.00 178.83 180.95 2klb h TRP 141 N 0.68 -0.20 -0.47 2.96 7.01 -1.51 0.33 115.95 124.75 2klb h TRP 141 Ca 0.26 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.32 2klb h TRP 141 Cb 0.09 0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 2klb h TRP 141 CO -0.07 -0.13 0.24 0.28 -2.79 0.00 0.00 178.44 175.97 2klb h VAL 142 N -0.07 0.97 -0.07 2.65 2.07 -1.51 0.13 116.25 120.41 2klb h VAL 142 Ca 0.09 -0.16 -0.18 0.00 0.82 0.00 0.00 66.70 67.27 2klb h VAL 142 Cb 0.20 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2klb h VAL 142 CO -0.20 0.09 -0.65 0.00 0.02 0.00 0.00 177.57 176.82 2klb h THR 143 N 0.48 1.35 -0.69 2.57 1.03 -1.25 -2.42 112.91 113.98 2klb h THR 143 Ca 0.20 -1.97 -0.06 0.00 -0.01 0.00 0.00 66.41 64.58 2klb h THR 143 Cb 0.10 2.28 -0.03 0.00 -1.07 0.00 0.00 68.15 69.43 2klb h THR 143 CO -0.14 0.60 0.22 -0.09 -0.01 0.00 0.00 175.52 176.09 2klb h ARG 144 N 0.18 1.07 -0.39 0.00 2.43 -0.79 -0.53 114.38 116.34 2klb h ARG 144 Ca -0.06 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 58.91 2klb h ARG 144 Cb 1.31 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 2klb h ARG 144 CO 0.13 0.93 0.20 0.22 -1.51 0.00 0.00 179.97 179.94 2klb h ASP 145 N 1.01 0.29 -0.24 -3.80 3.58 -0.80 -2.25 116.42 114.22 2klb h ASP 145 Ca 0.22 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 2klb h ASP 145 Cb 0.30 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2klb h ASP 145 CO -0.01 0.21 0.13 -0.09 -2.88 0.00 0.00 179.24 176.61 2klb h ARG 146 N 0.40 0.33 -0.30 0.28 2.43 -0.98 0.20 114.38 116.75 2klb h ARG 146 Ca 0.17 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2klb h ARG 146 Cb 0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2klb h ARG 146 CO -0.11 0.30 0.13 -0.07 -1.51 0.00 0.00 179.97 178.70 2klb h LEU 147 N 0.28 0.40 0.00 3.80 -0.00 -0.95 -3.00 115.31 115.84 2klb h LEU 147 Ca 0.08 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2klb h LEU 147 Cb 0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2klb h LEU 147 CO -0.01 0.45 -0.46 -0.33 -0.00 0.00 0.00 178.44 178.08 2klb h GLU 148 N 0.33 0.00 0.00 1.13 5.08 -1.43 -3.47 114.58 116.22 2klb h GLU 148 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2klb h GLU 148 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2klb h GLU 148 CO -0.01 0.00 0.00 1.58 -1.00 0.00 0.00 179.01 179.58 2klb n HIS 149 N -2.52 0.00 -2.85 4.33 -0.00 0.71 -4.91 115.22 109.98 2klb n HIS 149 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.35 2klb n HIS 149 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.43 2klb n HIS 149 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2klb s HIS 150 N 0.00 3.79 0.24 1.57 3.76 -1.26 -4.90 115.29 118.49 2klb s HIS 150 Ca 0.00 1.66 0.08 0.00 -0.15 0.00 0.00 55.06 56.65 2klb s HIS 150 Cb 0.00 -2.94 0.25 0.00 1.11 0.00 0.00 32.58 31.00 2klb s HIS 150 CO 0.00 0.26 1.55 0.45 -0.85 0.00 0.00 174.74 176.15 2klb h HIS 151 N 5.51 0.12 -3.10 1.40 -0.00 -1.91 -3.45 115.15 113.72 2klb h HIS 151 Ca -0.44 -0.05 0.36 0.00 -0.00 0.00 0.00 60.37 60.24 2klb h HIS 151 Cb 1.21 -0.02 -0.11 0.00 -0.00 0.00 0.00 27.41 28.48 2klb h HIS 151 CO 0.65 0.72 -0.66 0.72 -0.00 0.00 0.00 177.93 179.37 2klb n HIS 152 N -3.79 -3.48 -3.15 2.45 -0.00 -1.26 -4.95 115.22 101.05 2klb n HIS 152 Ca -0.02 1.77 0.05 0.00 -0.00 0.00 0.00 57.72 59.53 2klb n HIS 152 Cb 0.65 -3.16 -0.01 0.00 -0.00 0.00 0.00 29.99 27.47 2klb n HIS 152 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2klb s HIS 153 N -2.62 -0.48 -0.62 4.41 2.46 -1.26 -5.21 115.29 111.96 2klb s HIS 153 Ca 0.00 0.47 0.05 0.00 0.47 0.00 0.00 55.06 56.05 2klb s HIS 153 Cb 0.00 0.15 0.04 0.00 -0.13 0.00 0.00 32.58 32.64 2klb s HIS 153 CO 0.00 -0.27 0.66 0.72 -2.47 0.00 0.00 174.74 173.38