#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 -8.00 -3.00 0.44 2.08 -1.26 -3.34 119.36 106.28 2klb n ILE 2 Ca 0.00 1.49 -0.43 0.00 0.56 0.00 0.00 62.75 64.37 2klb n ILE 2 Cb 0.00 -4.91 -0.05 0.00 -0.75 0.00 0.00 39.64 33.93 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 -0.33 1.60 -0.33 7.39 0.00 0.28 -0.75 107.32 115.18 2klb s GLY 3 Ca -0.10 -1.40 -0.26 0.00 0.00 0.00 0.00 44.72 42.95 2klb s GLY 3 CO 0.28 1.75 0.95 0.54 0.00 0.00 0.00 173.10 176.61 2klb s VAL 4 N 3.26 4.62 -0.38 1.40 0.11 0.32 -0.35 120.40 129.37 2klb s VAL 4 Ca 0.24 1.43 -0.21 0.00 -2.93 0.00 0.00 61.98 60.50 2klb s VAL 4 Cb -0.15 -4.31 0.01 0.00 -1.53 0.00 0.00 36.38 30.40 2klb s VAL 4 CO 0.17 -0.42 0.69 -0.36 -3.33 0.00 0.00 175.10 171.84 2klb s PHE 5 N 3.39 3.11 0.31 1.54 0.40 0.74 -1.19 117.98 126.28 2klb s PHE 5 Ca 0.39 0.30 0.06 0.00 -0.60 0.00 0.00 56.93 57.09 2klb s PHE 5 Cb -0.13 -3.30 -0.02 0.00 0.51 0.00 0.00 43.02 40.08 2klb s PHE 5 CO 0.15 -0.74 0.22 2.48 0.70 0.00 0.00 175.22 178.04 2klb n TYR 6 N 6.25 -0.51 -3.92 0.36 4.11 0.37 -3.94 117.16 119.87 2klb n TYR 6 Ca 0.00 -2.45 -0.30 0.00 -0.00 0.00 0.00 57.90 55.15 2klb n TYR 6 Cb 0.48 0.20 -0.16 0.00 -0.00 0.00 0.00 39.34 39.86 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 -3.13 1.38 0.51 -3.48 1.01 -1.26 0.01 120.40 115.43 2klb s VAL 7 Ca 0.31 -1.00 0.25 0.00 0.00 0.00 0.00 61.98 61.54 2klb s VAL 7 Cb 0.02 -1.61 0.30 0.00 0.00 0.00 0.00 36.38 35.09 2klb s VAL 7 CO 0.22 -0.01 2.16 -1.28 0.00 0.00 0.00 175.10 176.18 2klb h SER 8 N 8.02 0.00 0.00 3.32 0.87 -1.92 -2.83 113.55 121.01 2klb h SER 8 Ca -0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2klb h SER 8 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2klb h SER 8 CO 0.42 0.06 -0.42 1.21 -0.53 0.00 0.00 176.83 177.56 2klb n GLU 9 N -3.93 0.27 -2.28 2.24 2.13 -1.26 -4.75 120.64 113.06 2klb n GLU 9 Ca -0.03 0.25 -0.42 0.00 0.66 0.00 0.00 57.16 57.62 2klb n GLU 9 Cb 0.15 -1.13 -0.03 0.00 0.27 0.00 0.00 31.44 30.70 2klb n GLU 9 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2klb s TYR 10 N -1.88 3.10 0.00 4.31 5.04 -1.26 -4.85 117.35 121.82 2klb s TYR 10 Ca -0.12 0.99 0.00 0.00 -2.44 0.00 0.00 57.07 55.50 2klb s TYR 10 Cb 0.02 -3.59 0.00 0.00 0.35 0.00 0.00 41.96 38.74 2klb s TYR 10 CO 0.18 -2.06 0.00 0.41 -1.34 0.00 0.00 175.55 172.74 2klb n GLY 11 N 3.49 0.55 0.46 8.97 0.00 -1.26 -3.69 105.19 113.72 2klb n GLY 11 Ca 0.12 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.34 0.27 -0.33 1.61 4.02 -1.26 -4.56 117.16 116.57 2klb n TYR 12 Ca 0.00 -0.13 0.19 0.00 -0.01 0.00 0.00 57.90 57.94 2klb n TYR 12 Cb 0.00 0.00 0.39 0.00 -0.02 0.00 0.00 39.34 39.71 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 1.64 0.51 -0.45 7.72 0.87 -1.73 0.23 113.55 122.33 2klb h SER 13 Ca 0.00 0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 2klb h SER 13 Cb 0.37 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2klb h SER 13 CO 0.00 -0.02 -0.11 -2.24 -0.53 0.00 0.00 176.83 173.93 2klb h ASP 14 N 0.43 0.88 -0.19 6.23 2.03 -1.74 -1.00 116.42 123.06 2klb h ASP 14 Ca 0.65 -0.36 -0.12 0.00 -0.73 0.00 0.00 57.03 56.48 2klb h ASP 14 Cb 1.34 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 39.59 2klb h ASP 14 CO -0.55 1.04 -0.28 0.03 -1.03 0.00 0.00 179.24 178.45 2klb h ARG 15 N 0.71 0.67 -0.46 4.15 2.47 -0.99 -0.39 114.38 120.54 2klb h ARG 15 Ca 0.12 -0.29 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 2klb h ARG 15 Cb 0.65 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.93 2klb h ARG 15 CO 0.04 0.88 0.24 -0.07 0.56 0.00 0.00 179.97 181.63 2klb h LEU 16 N 0.58 0.59 -1.02 3.04 3.38 -0.84 -1.77 115.31 119.27 2klb h LEU 16 Ca 0.07 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2klb h LEU 16 Cb 0.77 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 2klb h LEU 16 CO 0.06 0.52 0.66 0.00 0.09 0.00 0.00 178.44 179.78 2klb h ALA 17 N 1.09 1.29 -0.62 1.53 0.00 -0.89 -2.25 119.26 119.41 2klb h ALA 17 Ca 0.16 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2klb h ALA 17 Cb 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 2klb h ALA 17 CO -0.02 0.66 0.39 0.37 0.00 0.00 0.00 179.25 180.64 2klb h GLN 18 N 1.35 0.75 -0.73 0.00 4.15 -0.68 0.52 115.11 120.46 2klb h GLN 18 Ca 0.36 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.79 2klb h GLN 18 Cb -0.16 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.31 2klb h GLN 18 CO -0.08 0.50 0.43 0.00 -1.93 0.00 0.00 178.83 177.75 2klb h ALA 19 N 1.26 0.99 0.60 3.38 0.00 -0.85 -0.02 119.26 124.62 2klb h ALA 19 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2klb h ALA 19 Cb -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.62 2klb h ALA 19 CO -0.09 0.15 -0.29 0.82 0.00 0.00 0.00 179.25 179.84 2klb h ILE 20 N 0.80 0.16 -0.11 0.00 2.04 -0.85 -1.82 117.51 117.73 2klb h ILE 20 Ca 0.32 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2klb h ILE 20 Cb 0.16 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2klb h ILE 20 CO -0.17 0.03 0.07 -0.29 0.00 0.00 0.00 178.15 177.79 2klb h ILE 21 N -1.13 1.03 -0.54 -0.67 2.10 -0.87 -2.20 117.51 115.23 2klb h ILE 21 Ca -0.08 -0.05 -0.10 0.00 1.08 0.00 0.00 64.86 65.70 2klb h ILE 21 Cb 0.66 0.87 -0.02 0.00 -1.09 0.00 0.00 36.82 37.24 2klb h ILE 21 CO 0.14 0.03 -0.07 -1.13 -1.08 0.00 0.00 178.15 176.03 2klb h ASN 22 N 0.15 0.98 -0.96 2.19 -1.24 -1.12 0.13 115.58 115.71 2klb h ASN 22 Ca 0.04 -0.30 0.02 0.00 0.71 0.00 0.00 56.30 56.77 2klb h ASN 22 Cb -0.02 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 38.72 2klb h ASN 22 CO -0.01 1.07 0.63 1.23 -1.29 0.00 0.00 177.43 179.07 2klb h GLY 23 N 0.97 1.36 1.34 1.57 0.00 -1.15 0.74 103.07 107.89 2klb h GLY 23 Ca 0.15 -0.49 -0.30 0.00 0.00 0.00 0.00 47.33 46.69 2klb h GLY 23 CO 0.04 0.46 -1.46 -2.22 0.00 0.00 0.00 176.54 173.37 2klb h ILE 24 N 1.27 1.25 -0.41 2.60 2.04 -1.15 -3.09 117.51 120.01 2klb h ILE 24 Ca 0.36 -2.86 -0.15 0.00 1.00 0.00 0.00 64.86 63.22 2klb h ILE 24 Cb -0.09 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 2klb h ILE 24 CO -0.09 0.84 -0.32 0.71 0.00 0.00 0.00 178.15 179.28 2klb h THR 25 N 0.07 1.27 -0.75 -0.27 1.35 -0.64 -0.36 112.91 113.58 2klb h THR 25 Ca -0.22 -1.49 0.07 0.00 -0.55 0.00 0.00 66.41 64.22 2klb h THR 25 Cb 2.01 1.29 -0.06 0.00 -1.73 0.00 0.00 68.15 69.66 2klb h THR 25 CO 0.18 0.50 0.43 0.50 -0.25 0.00 0.00 175.52 176.88 2klb h LYS 26 N 0.78 0.75 -0.57 4.72 3.11 -0.96 -1.33 116.57 123.06 2klb h LYS 26 Ca 0.08 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.84 2klb h LYS 26 Cb 0.90 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.94 2klb h LYS 26 CO 0.08 0.50 0.24 1.15 -2.81 0.00 0.00 179.45 178.61 2klb h THR 27 N 0.78 1.22 0.00 1.00 2.02 -1.42 -3.48 112.91 113.03 2klb h THR 27 Ca 0.34 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2klb h THR 27 Cb 0.23 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2klb h THR 27 CO -0.20 0.26 0.00 0.61 0.37 0.00 0.00 175.52 176.56 2klb n GLY 28 N -0.85 0.57 1.97 2.16 0.00 -0.16 -5.11 105.19 103.77 2klb n GLY 28 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2klb n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2klb n VAL 29 N 0.00 0.00 0.00 1.61 0.31 -1.09 -5.00 118.33 114.16 2klb n VAL 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2klb n VAL 29 Cb 0.00 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 2klb n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2klb n GLY 30 N 1.56 2.31 3.63 2.92 0.00 -1.26 -4.83 105.19 109.53 2klb n GLY 30 Ca 0.00 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 2klb n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2klb s VAL 31 N 0.00 3.86 0.14 1.61 1.01 -1.25 -0.25 120.40 125.52 2klb s VAL 31 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 2klb s VAL 31 Cb 0.00 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 2klb s VAL 31 CO 0.00 0.39 0.44 -1.81 0.00 0.00 0.00 175.10 174.12 2klb s ASP 32 N -1.47 6.62 -0.10 3.32 1.01 0.07 -4.71 116.67 121.40 2klb s ASP 32 Ca 0.18 0.80 0.03 0.00 0.71 0.00 0.00 52.55 54.26 2klb s ASP 32 Cb -0.11 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 2klb s ASP 32 CO 0.09 0.08 -0.18 0.68 0.21 0.00 0.00 175.17 176.04 2klb s VAL 33 N -1.57 2.61 -0.05 -1.27 -7.23 -1.26 -0.52 120.40 111.11 2klb s VAL 33 Ca 0.39 -0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 59.70 2klb s VAL 33 Cb -0.13 -2.04 0.04 0.00 0.56 0.00 0.00 36.38 34.81 2klb s VAL 33 CO 0.21 0.55 0.09 -0.69 -0.31 0.00 0.00 175.10 174.95 2klb s VAL 34 N 0.11 -0.12 -0.69 1.32 1.01 -0.34 -4.92 120.40 116.78 2klb s VAL 34 Ca -0.09 0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 2klb s VAL 34 Cb -0.15 -0.18 0.06 0.00 0.00 0.00 0.00 36.38 36.11 2klb s VAL 34 CO 0.06 0.12 1.06 -1.81 0.00 0.00 0.00 175.10 174.53 2klb s ASP 35 N 1.67 6.18 0.53 3.32 1.01 -1.26 -0.48 116.67 127.65 2klb s ASP 35 Ca -0.02 -0.86 0.32 0.00 0.71 0.00 0.00 52.55 52.70 2klb s ASP 35 Cb -0.12 -2.46 1.32 0.00 1.01 0.00 0.00 42.92 42.67 2klb s ASP 35 CO -0.04 -1.55 1.97 0.17 0.21 0.00 0.00 175.17 175.93 2klb h LEU 36 N 11.83 0.00 -3.20 1.23 8.10 -0.72 -2.88 115.31 129.68 2klb h LEU 36 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.66 2klb h LEU 36 Cb 1.06 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.25 2klb h LEU 36 CO 1.21 0.05 -0.07 0.61 -4.11 0.00 0.00 178.44 176.14 2klb n GLY 37 N -0.03 4.60 1.41 0.17 0.00 -1.22 -4.75 105.19 105.38 2klb n GLY 37 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2klb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klb n ALA 38 N -0.97 0.56 0.49 4.61 0.00 -1.17 -4.91 120.51 119.13 2klb n ALA 38 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 2klb n ALA 38 Cb 0.85 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.38 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 -2.06 3.00 -1.55 0.00 0.00 -1.10 -4.88 120.51 113.93 2klb n ALA 39 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 2klb n ALA 39 Cb 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 2klb n ALA 39 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2klb n VAL 40 N 0.13 -0.05 -4.09 0.00 0.24 -1.15 -4.72 118.33 108.69 2klb n VAL 40 Ca 0.10 -0.65 -0.11 0.00 -2.04 0.00 0.00 64.34 61.64 2klb n VAL 40 Cb 0.60 -2.30 -0.07 0.00 -1.47 0.00 0.00 33.84 30.60 2klb n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2klb s ASP 41 N 11.20 0.20 0.38 -1.34 2.15 -1.26 -5.04 116.67 122.96 2klb s ASP 41 Ca 1.00 -1.20 0.12 0.00 0.43 0.00 0.00 52.55 52.91 2klb s ASP 41 Cb -0.26 0.53 0.93 0.00 -0.30 0.00 0.00 42.92 43.81 2klb s ASP 41 CO 0.23 -1.06 1.87 0.25 -0.17 0.00 0.00 175.17 176.29 2klb h LEU 42 N 2.36 0.55 -1.38 -1.34 7.12 -2.00 -1.21 115.31 119.41 2klb h LEU 42 Ca -0.30 0.04 0.07 0.00 0.13 0.00 0.00 57.88 57.83 2klb h LEU 42 Cb 1.25 -0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 41.27 2klb h LEU 42 CO 0.42 0.26 0.48 1.56 -0.13 0.00 0.00 178.44 181.03 2klb h GLN 43 N 0.57 0.72 -0.16 1.25 4.20 -1.96 0.18 115.11 119.90 2klb h GLN 43 Ca 0.45 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 59.06 2klb h GLN 43 Cb 0.89 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2klb h GLN 43 CO -0.20 0.47 -0.11 0.93 -0.67 0.00 0.00 178.83 179.25 2klb h GLU 44 N 0.74 0.36 -0.62 1.46 4.39 -1.50 -2.94 114.58 116.46 2klb h GLU 44 Ca 0.32 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 2klb h GLU 44 Cb 0.31 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2klb h GLU 44 CO -0.11 0.71 0.32 -0.07 -1.16 0.00 0.00 179.01 178.70 2klb h LEU 45 N 0.02 0.77 -0.36 1.33 3.38 -1.19 -1.06 115.31 118.21 2klb h LEU 45 Ca 0.03 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2klb h LEU 45 Cb 0.62 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2klb h LEU 45 CO 0.03 0.64 0.19 -0.09 0.09 0.00 0.00 178.44 179.30 2klb h ARG 46 N 0.87 0.37 -0.48 1.13 1.12 -0.65 -2.04 114.38 114.70 2klb h ARG 46 Ca 0.22 -0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 58.97 2klb h ARG 46 Cb 0.06 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 29.91 2klb h ARG 46 CO -0.03 0.25 -0.08 1.49 -3.11 0.00 0.00 179.97 178.48 2klb h GLU 47 N 0.38 0.86 -0.27 0.20 4.57 -1.26 -2.62 114.58 116.43 2klb h GLU 47 Ca 0.15 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2klb h GLU 47 Cb 0.04 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2klb h GLU 47 CO -0.09 0.91 0.19 1.25 -1.18 0.00 0.00 179.01 180.09 2klb h LEU 48 N 0.78 0.05 0.26 1.64 5.85 -0.70 0.59 115.31 123.79 2klb h LEU 48 Ca 0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2klb h LEU 48 Cb 0.58 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2klb h LEU 48 CO 0.04 0.03 -0.13 0.58 -0.34 0.00 0.00 178.44 178.62 2klb h VAL 49 N 0.06 0.78 -0.08 1.05 2.07 -0.99 -0.46 116.25 118.68 2klb h VAL 49 Ca 0.13 -0.31 -0.21 0.00 0.82 0.00 0.00 66.70 67.12 2klb h VAL 49 Cb 0.44 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2klb h VAL 49 CO -0.01 0.07 -0.82 1.23 0.02 0.00 0.00 177.57 178.06 2klb h GLY 50 N -0.52 0.63 -1.23 2.17 0.00 -1.49 -3.20 103.07 99.43 2klb h GLY 50 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.34 2klb h GLY 50 CO 0.06 0.85 0.00 0.54 0.00 0.00 0.00 176.54 177.99 2klb n ARG 51 N -3.86 1.85 0.00 4.80 5.12 0.16 -4.55 116.66 120.18 2klb n ARG 51 Ca -0.07 -1.30 0.00 0.00 -1.93 0.00 0.00 57.85 54.55 2klb n ARG 51 Cb 0.76 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 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 0.00 -1.96 0.00 1.35 -1.86 -3.44 112.91 107.00 2klb h THR 53 Ca 0.00 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 2klb h THR 53 Cb 0.38 1.07 -0.22 0.00 -1.73 0.00 0.00 68.15 67.66 2klb h THR 53 CO 0.00 0.00 0.14 -0.83 -0.25 0.00 0.00 175.52 174.58 2klb s GLY 54 N -3.95 -0.52 0.17 5.82 0.00 -0.97 -3.54 107.32 104.34 2klb s GLY 54 Ca -0.01 2.18 0.06 0.00 0.00 0.00 0.00 44.72 46.96 2klb s GLY 54 CO 0.41 1.90 -0.13 1.08 0.00 0.00 0.00 173.10 176.37 2klb s LEU 55 N 0.63 2.53 -0.04 0.66 1.02 0.76 -0.56 118.68 123.67 2klb s LEU 55 Ca -0.02 -0.99 -0.02 0.00 0.02 0.00 0.00 54.13 53.13 2klb s LEU 55 Cb -0.05 -0.54 0.03 0.00 0.02 0.00 0.00 46.19 45.65 2klb s LEU 55 CO -0.04 -0.22 0.07 -0.69 0.02 0.00 0.00 176.35 175.49 2klb s VAL 56 N -2.98 -0.12 -0.08 -1.59 1.01 0.53 -0.22 120.40 116.94 2klb s VAL 56 Ca 0.18 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.57 2klb s VAL 56 Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.22 2klb s VAL 56 CO 0.04 0.15 -0.21 -0.63 0.00 0.00 0.00 175.10 174.45 2klb s ILE 57 N 1.92 1.82 0.00 2.22 1.09 0.04 -0.19 121.20 128.12 2klb s ILE 57 Ca 0.01 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 58.67 2klb s ILE 57 Cb -0.12 -1.58 0.00 0.00 -1.06 0.00 0.00 42.46 39.69 2klb s ILE 57 CO -0.04 0.51 0.00 0.61 -0.10 0.00 0.00 174.94 175.92 2klb n GLY 58 N 3.50 0.70 3.90 6.18 0.00 -1.25 -1.97 105.19 116.25 2klb n GLY 58 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2klb n GLY 58 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2klb s MET 59 N 1.75 3.38 -0.61 1.61 0.23 -1.26 -4.54 119.30 119.86 2klb s MET 59 Ca 0.00 0.33 -0.02 0.00 -1.03 0.00 0.00 55.69 54.97 2klb s MET 59 Cb 0.00 -2.25 0.16 0.00 -1.53 0.00 0.00 34.83 31.21 2klb s MET 59 CO 0.00 -0.47 0.42 -1.54 -2.03 0.00 0.00 175.02 171.40 2klb s SER 60 N -4.19 5.17 0.20 -1.18 1.04 -1.26 -5.09 113.70 108.40 2klb s SER 60 Ca 0.52 -2.85 -0.30 0.00 0.48 0.00 0.00 55.95 53.79 2klb s SER 60 Cb -0.11 -1.84 -0.08 0.00 0.10 0.00 0.00 66.02 64.10 2klb s SER 60 CO 0.48 -0.36 1.03 -2.84 0.98 0.00 0.00 173.24 172.53 2klb s PRO 61 N -0.06 4.70 0.21 4.02 0.02 -1.26 -3.42 135.00 139.19 2klb s PRO 61 Ca 0.17 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.70 2klb s PRO 61 Cb -0.21 -3.28 0.27 0.00 0.02 0.00 0.00 34.50 31.31 2klb s PRO 61 CO -0.03 0.25 1.67 0.00 -0.33 0.00 0.00 177.00 178.56 2klb h ALA 62 N 4.66 0.57 -0.84 -1.55 0.00 -1.87 0.16 119.26 120.39 2klb h ALA 62 Ca -0.45 0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.78 2klb h ALA 62 Cb 1.21 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.22 2klb h ALA 62 CO 0.70 -0.39 0.44 0.00 0.00 0.00 0.00 179.25 180.00 2klb h ALA 63 N 1.53 1.24 0.07 0.00 0.00 -2.01 -2.15 119.26 117.95 2klb h ALA 63 Ca 0.31 0.07 -0.24 0.00 0.00 0.00 0.00 54.91 55.04 2klb h ALA 63 Cb 0.49 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2klb h ALA 63 CO -0.50 -0.05 -1.11 0.77 0.00 0.00 0.00 179.25 178.36 2klb h SER 64 N 0.65 0.34 -0.71 0.00 0.02 -1.57 -3.31 113.55 108.97 2klb h SER 64 Ca 0.44 -0.33 0.14 0.00 -0.84 0.00 0.00 61.79 61.20 2klb h SER 64 Cb 0.58 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 2klb h SER 64 CO -0.34 1.22 0.48 0.00 -1.14 0.00 0.00 176.83 177.05 2klb h ALA 65 N 0.74 2.12 -0.26 3.77 0.00 -0.06 0.12 119.26 125.69 2klb h ALA 65 Ca -0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2klb h ALA 65 Cb 1.81 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2klb h ALA 65 CO 0.18 -0.31 -0.09 0.00 0.00 0.00 0.00 179.25 179.03 2klb h ALA 66 N 1.66 1.38 0.00 0.00 0.00 -1.61 -2.75 119.26 117.94 2klb h ALA 66 Ca 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2klb h ALA 66 Cb 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2klb h ALA 66 CO -0.10 0.43 -0.33 0.43 0.00 0.00 0.00 179.25 179.68 2klb n SER 67 N -4.25 0.52 0.09 0.00 7.64 0.36 -3.76 113.62 114.21 2klb n SER 67 Ca 0.00 0.21 0.05 0.00 1.01 0.00 0.00 58.87 60.14 2klb n SER 67 Cb 0.28 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.30 2klb n SER 67 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2klb h ILE 68 N 0.00 0.35 -0.65 0.44 1.08 -1.12 -3.40 117.51 114.20 2klb h ILE 68 Ca 0.00 -1.62 0.14 0.00 -0.39 0.00 0.00 64.86 62.99 2klb h ILE 68 Cb 0.63 1.91 -0.11 0.00 -3.07 0.00 0.00 36.82 36.18 2klb h ILE 68 CO 0.00 0.20 -0.01 1.56 -0.69 0.00 0.00 178.15 179.21 2klb h GLN 69 N 0.00 0.10 0.38 2.37 1.08 -1.62 0.95 115.11 118.38 2klb h GLN 69 Ca -0.07 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2klb h GLN 69 Cb 1.32 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2klb h GLN 69 CO 0.03 0.07 -0.18 0.78 -0.95 0.00 0.00 178.83 178.58 2klb h GLY 70 N 0.11 -0.54 0.83 3.46 0.00 -1.84 -3.30 103.07 101.80 2klb h GLY 70 Ca 0.34 0.20 0.11 0.00 0.00 0.00 0.00 47.33 47.98 2klb h GLY 70 CO -0.57 -0.20 0.50 0.00 0.00 0.00 0.00 176.54 176.28 2klb h ALA 71 N -0.73 1.84 -0.89 3.60 0.00 -1.72 -2.10 119.26 119.26 2klb h ALA 71 Ca -0.05 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2klb h ALA 71 Cb 0.53 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 2klb h ALA 71 CO 0.09 -0.01 0.51 1.25 0.00 0.00 0.00 179.25 181.08 2klb h LEU 72 N 0.64 0.69 -0.32 0.00 7.12 -0.89 -0.37 115.31 122.19 2klb h LEU 72 Ca 0.36 0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.45 2klb h LEU 72 Cb 0.52 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 2klb h LEU 72 CO -0.13 0.34 0.18 0.28 -0.13 0.00 0.00 178.44 178.97 2klb h SER 73 N 0.77 0.28 -0.73 1.25 0.02 -1.46 -1.68 113.55 111.99 2klb h SER 73 Ca 0.46 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.38 2klb h SER 73 Cb 0.56 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2klb h SER 73 CO -0.31 0.20 0.30 0.74 -1.14 0.00 0.00 176.83 176.63 2klb h THR 74 N 0.36 1.25 -0.35 -2.27 2.02 -1.32 -2.94 112.91 109.66 2klb h THR 74 Ca 0.13 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.55 2klb h THR 74 Cb 0.02 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 2klb h THR 74 CO -0.07 0.32 0.18 0.40 0.37 0.00 0.00 175.52 176.72 2klb h ILE 75 N 1.08 0.99 -0.38 3.11 2.04 -0.67 -1.87 117.51 121.80 2klb h ILE 75 Ca 0.25 -0.13 0.11 0.00 1.00 0.00 0.00 64.86 66.09 2klb h ILE 75 Cb 0.20 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2klb h ILE 75 CO -0.02 0.07 0.32 -0.07 0.00 0.00 0.00 178.15 178.44 2klb h LEU 76 N 0.37 0.00 0.05 1.44 3.38 -1.14 -0.48 115.31 118.94 2klb h LEU 76 Ca 0.15 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.87 2klb h LEU 76 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2klb h LEU 76 CO -0.10 0.00 -1.22 1.23 0.09 0.00 0.00 178.44 178.44 2klb h GLY 77 N 0.00 0.13 0.00 0.83 0.00 -1.32 -3.40 103.07 99.31 2klb h GLY 77 Ca 0.18 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2klb h GLY 77 CO -0.00 0.29 -0.05 1.48 0.00 0.00 0.00 176.54 178.26 2klb h SER 78 N 0.03 0.00 -3.98 0.19 4.64 -0.63 -3.46 113.55 110.34 2klb h SER 78 Ca -0.11 -0.13 -0.51 0.00 -0.47 0.00 0.00 61.79 60.57 2klb h SER 78 Cb 1.89 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 64.04 2klb h SER 78 CO 0.15 0.59 0.52 0.68 -0.87 0.00 0.00 176.83 177.89 2klb s VAL 79 N -1.69 2.98 0.00 0.95 -7.23 -0.46 -5.02 120.40 109.94 2klb s VAL 79 Ca -0.04 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 2klb s VAL 79 Cb -0.00 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.52 2klb s VAL 79 CO 0.10 0.04 0.00 -0.46 -0.31 0.00 0.00 175.10 174.47 2klb n ASN 80 N -0.26 0.00 0.00 4.85 0.23 -1.26 -4.85 115.26 113.97 2klb n ASN 80 Ca 0.06 -0.88 0.00 0.00 -0.53 0.00 0.00 54.58 53.23 2klb n ASN 80 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 2klb n ASN 80 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2klb n GLU 81 N 0.00 0.00 -0.77 -3.83 4.07 -1.26 -3.49 120.64 115.36 2klb n GLU 81 Ca 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.06 2klb n GLU 81 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 2klb n GLU 81 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2klb n LYS 82 N 0.00 0.00 -0.41 5.31 2.85 -1.26 -4.95 118.16 119.70 2klb n LYS 82 Ca 0.00 -0.53 -0.30 0.00 -1.05 0.00 0.00 58.31 56.43 2klb n LYS 82 Cb 0.00 0.50 0.28 0.00 -0.65 0.00 0.00 35.03 35.16 2klb n LYS 82 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2klb s GLN 83 N 0.00 -2.48 0.05 -1.58 1.11 -1.23 -3.98 119.66 111.56 2klb s GLN 83 Ca 0.00 0.31 -0.19 0.00 0.01 0.00 0.00 55.36 55.49 2klb s GLN 83 Cb 0.00 -1.42 -0.06 0.00 -1.01 0.00 0.00 33.01 30.52 2klb s GLN 83 CO -0.00 -4.62 0.54 0.00 0.01 0.00 0.00 175.29 171.22 2klb s ALA 84 N -2.32 3.60 -0.34 6.09 0.00 -1.23 -1.57 121.76 125.99 2klb s ALA 84 Ca 0.69 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2klb s ALA 84 Cb -0.16 -2.59 0.11 0.00 0.00 0.00 0.00 23.12 20.48 2klb s ALA 84 CO 0.60 0.40 0.15 0.14 0.00 0.00 0.00 175.76 177.04 2klb s VAL 85 N -1.02 0.73 -1.21 0.00 -7.23 0.42 -0.17 120.40 111.92 2klb s VAL 85 Ca 0.28 -1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 58.63 2klb s VAL 85 Cb -0.19 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 2klb s VAL 85 CO 0.18 -0.78 1.86 -0.83 -0.31 0.00 0.00 175.10 175.21 2klb s GLY 86 N 1.33 0.67 -0.38 2.32 0.00 0.69 -3.52 107.32 108.42 2klb s GLY 86 Ca 0.13 -2.39 -0.27 0.00 0.00 0.00 0.00 44.72 42.19 2klb s GLY 86 CO -0.17 3.27 0.98 -0.42 0.00 0.00 0.00 173.10 176.76 2klb s ILE 87 N 8.67 4.51 -0.06 0.90 -1.09 -1.25 -0.78 121.20 132.10 2klb s ILE 87 Ca 0.63 1.27 0.04 0.00 -2.23 0.00 0.00 60.65 60.37 2klb s ILE 87 Cb 0.01 -4.39 -0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2klb s ILE 87 CO 0.11 -0.61 -0.19 0.72 -1.23 0.00 0.00 174.94 173.73 2klb s PHE 88 N 3.67 1.98 0.22 3.97 -0.71 -0.83 -4.55 117.98 121.71 2klb s PHE 88 Ca 0.41 -0.66 -0.30 0.00 -1.04 0.00 0.00 56.93 55.34 2klb s PHE 88 Cb -0.11 -1.34 -0.08 0.00 -1.21 0.00 0.00 43.02 40.28 2klb s PHE 88 CO 0.20 -0.25 1.06 -2.00 -1.34 0.00 0.00 175.22 172.89 2klb s GLU 89 N 0.19 4.66 0.00 1.99 2.56 -1.26 -4.15 118.70 122.70 2klb s GLU 89 Ca -0.09 1.69 0.00 0.00 0.00 0.00 0.00 54.97 56.57 2klb s GLU 89 Cb -0.14 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.73 2klb s GLU 89 CO 0.04 0.21 0.00 -2.37 -0.56 0.00 0.00 175.26 172.58 2klb n THR 90 N 1.85 0.00 -3.15 -1.70 5.66 -1.26 -4.87 114.28 110.81 2klb n THR 90 Ca 0.01 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.05 2klb n THR 90 Cb 0.46 0.34 -0.01 0.00 -1.55 0.00 0.00 70.33 69.56 2klb n THR 90 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2klb s GLY 91 N 0.00 -0.77 -1.20 1.09 0.00 -1.26 -3.48 107.32 101.71 2klb s GLY 91 Ca 0.00 2.17 -0.22 0.00 0.00 0.00 0.00 44.72 46.67 2klb s GLY 91 CO 0.00 3.54 1.91 0.61 0.00 0.00 0.00 173.10 179.16 2klb n GLY 92 N 5.45 1.29 0.00 0.20 0.00 -0.90 -4.53 105.19 106.70 2klb n GLY 92 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 5.68 -2.11 1.93 -0.02 0.00 -1.26 -4.63 105.19 104.78 2klb n GLY 93 Ca 0.46 1.02 -0.10 0.00 0.00 0.00 0.00 46.02 47.40 2klb n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2klb n ASP 94 N 0.00 0.97 -4.33 1.61 5.75 -1.26 -4.68 116.55 114.61 2klb n ASP 94 Ca 0.00 -1.72 -0.32 0.00 -0.01 0.00 0.00 54.79 52.74 2klb n ASP 94 Cb 0.00 -0.23 -0.16 0.00 -1.03 0.00 0.00 41.12 39.70 2klb n ASP 94 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2klb s ASP 95 N -2.83 3.28 0.25 -1.12 2.15 -1.22 -4.82 116.67 112.35 2klb s ASP 95 Ca 0.31 -0.43 -0.08 0.00 0.43 0.00 0.00 52.55 52.78 2klb s ASP 95 Cb -0.02 -0.65 0.42 0.00 -0.30 0.00 0.00 42.92 42.37 2klb s ASP 95 CO 0.20 0.29 1.62 -0.33 -0.17 0.00 0.00 175.17 176.78 2klb h GLU 96 N 5.70 0.06 0.00 4.34 5.08 -2.00 -0.53 114.58 127.22 2klb h GLU 96 Ca -0.39 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2klb h GLU 96 Cb 1.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2klb h GLU 96 CO 0.48 0.04 0.29 -2.30 -1.00 0.00 0.00 179.01 176.52 2klb n PRO 97 N -5.41 0.04 -0.25 2.33 -0.02 -1.26 -2.09 135.00 128.33 2klb n PRO 97 Ca 0.13 0.40 -0.07 0.00 -2.02 0.00 0.00 63.50 61.94 2klb n PRO 97 Cb 0.47 -1.91 0.05 0.00 -0.02 0.00 0.00 33.50 32.08 2klb n PRO 97 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2klb h ILE 98 N 0.00 1.26 -0.04 4.25 6.09 -1.51 -3.25 117.51 124.31 2klb h ILE 98 Ca 0.00 -0.87 0.02 0.00 -1.37 0.00 0.00 64.86 62.64 2klb h ILE 98 Cb 0.58 0.49 -0.02 0.00 0.47 0.00 0.00 36.82 38.34 2klb h ILE 98 CO 0.00 0.34 -0.09 0.44 -3.07 0.00 0.00 178.15 175.77 2klb h ASP 99 N 1.03 -0.27 -1.00 2.19 3.32 -1.66 0.13 116.42 120.16 2klb h ASP 99 Ca 0.23 0.05 0.26 0.00 0.02 0.00 0.00 57.03 57.58 2klb h ASP 99 Cb 0.29 0.12 -0.13 0.00 0.22 0.00 0.00 39.33 39.83 2klb h ASP 99 CO -0.01 -0.13 0.58 -0.65 -1.72 0.00 0.00 179.24 177.31 2klb h PRO 100 N -0.14 0.51 -0.21 3.56 0.11 -1.78 0.18 132.00 134.23 2klb h PRO 100 Ca 0.05 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.96 2klb h PRO 100 Cb 0.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.20 2klb h PRO 100 CO -0.12 0.34 -0.53 -0.07 -0.21 0.00 0.00 178.00 177.41 2klb h LEU 101 N 0.52 0.83 -1.28 2.35 4.07 -1.34 -3.10 115.31 117.36 2klb h LEU 101 Ca 0.66 -0.57 0.04 0.00 0.08 0.00 0.00 57.88 58.09 2klb h LEU 101 Cb 1.30 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 42.75 2klb h LEU 101 CO -0.50 1.25 0.51 -0.07 -1.08 0.00 0.00 178.44 178.54 2klb h LEU 102 N 0.44 0.80 -1.82 1.67 3.38 0.68 -0.23 115.31 120.24 2klb h LEU 102 Ca -0.01 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2klb h LEU 102 Cb 1.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2klb h LEU 102 CO 0.11 0.55 0.23 -1.28 0.09 0.00 0.00 178.44 178.15 2klb h SER 103 N 0.93 0.20 0.01 -0.43 0.87 -0.64 0.52 113.55 115.00 2klb h SER 103 Ca 0.31 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.87 2klb h SER 103 Cb 0.07 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2klb h SER 103 CO -0.09 0.13 -0.00 0.11 -0.53 0.00 0.00 176.83 176.45 2klb h LYS 104 N 0.23 -0.01 -0.77 2.24 1.57 -0.98 0.26 116.57 119.11 2klb h LYS 104 Ca 0.15 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2klb h LYS 104 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2klb h LYS 104 CO -0.03 0.40 0.51 0.74 -0.57 0.00 0.00 179.45 180.50 2klb h PHE 105 N -0.42 0.91 0.77 -1.35 0.04 -1.13 0.32 116.94 116.08 2klb h PHE 105 Ca -0.00 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 2klb h PHE 105 Cb 0.42 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.27 2klb h PHE 105 CO 0.07 0.53 -0.37 -0.09 -0.60 0.00 0.00 178.31 177.85 2klb h ARG 106 N 0.95 -1.00 0.58 1.51 9.65 -0.81 -2.03 114.38 123.22 2klb h ARG 106 Ca 0.30 0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 59.22 2klb h ARG 106 Cb 0.04 0.23 0.01 0.00 -1.39 0.00 0.00 29.97 28.85 2klb h ARG 106 CO -0.09 -0.67 -0.28 -0.91 2.80 0.00 0.00 179.97 180.82 2klb h ASN 107 N -1.28 -0.66 0.10 -3.80 4.21 -0.84 -2.83 115.58 110.48 2klb h ASN 107 Ca -0.11 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 2klb h ASN 107 Cb 0.80 0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 38.17 2klb h ASN 107 CO 0.17 -0.43 -0.02 -0.07 -1.29 0.00 0.00 177.43 175.79 2klb h LEU 108 N -0.84 0.00 -2.65 1.61 4.07 -1.07 -3.47 115.31 112.96 2klb h LEU 108 Ca -0.08 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.74 2klb h LEU 108 Cb 0.62 0.00 0.11 0.00 1.08 0.00 0.00 40.66 42.47 2klb h LEU 108 CO 0.13 0.02 -0.47 0.61 -1.08 0.00 0.00 178.44 177.65 2klb n GLY 109 N -1.08 -0.46 3.89 0.83 0.00 -0.78 -4.96 105.19 102.63 2klb n GLY 109 Ca -0.03 0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.35 3.80 -0.82 0.99 1.43 -1.10 -4.86 118.68 113.78 2klb s LEU 110 Ca 0.25 0.99 -0.25 0.00 -1.03 0.00 0.00 54.13 54.09 2klb s LEU 110 Cb -0.03 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.26 2klb s LEU 110 CO 0.47 -0.43 1.90 -0.89 0.23 0.00 0.00 176.35 177.63 2klb s THR 111 N -2.45 3.43 0.48 5.49 2.01 -0.61 -4.88 115.64 119.12 2klb s THR 111 Ca 0.49 -0.20 -0.06 0.00 0.31 0.00 0.00 61.69 62.22 2klb s THR 111 Cb -0.10 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2klb s THR 111 CO 0.36 -0.97 0.80 0.42 -0.69 0.00 0.00 174.62 174.54 2klb s THR 112 N 9.62 4.88 0.00 -0.82 -4.23 -1.26 -0.43 115.64 123.39 2klb s THR 112 Ca 0.68 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 2klb s THR 112 Cb -0.08 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.91 2klb s THR 112 CO 0.06 -0.81 0.00 0.00 -0.54 0.00 0.00 174.62 173.32 2klb n ALA 113 N -2.12 0.00 -1.63 3.99 0.00 -1.23 -4.94 120.51 114.58 2klb n ALA 113 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 2klb n ALA 113 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2klb n ALA 113 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2klb s PHE 114 N 1.42 1.20 -0.49 0.00 5.36 -1.26 -4.88 117.98 119.32 2klb s PHE 114 Ca 0.00 0.31 -0.21 0.00 -0.96 0.00 0.00 56.93 56.07 2klb s PHE 114 Cb 0.00 -4.00 0.04 0.00 -0.34 0.00 0.00 43.02 38.72 2klb s PHE 114 CO 0.00 -4.41 0.74 -1.25 -1.46 0.00 0.00 175.22 168.83 2klb s PRO 115 N 5.92 3.26 0.76 10.12 0.04 -1.26 -4.66 135.00 149.17 2klb s PRO 115 Ca 0.98 -0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.50 2klb s PRO 115 Cb -0.35 -4.02 0.14 0.00 0.04 0.00 0.00 34.50 30.30 2klb s PRO 115 CO 0.37 -1.22 1.05 0.00 0.04 0.00 0.00 177.00 177.23 2klb s ALA 116 N 3.12 3.44 -0.28 8.56 0.00 -1.26 -5.05 121.76 130.29 2klb s ALA 116 Ca 0.23 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 2klb s ALA 116 Cb -0.15 -2.16 0.09 0.00 0.00 0.00 0.00 23.12 20.90 2klb s ALA 116 CO 0.17 -1.61 0.08 -1.50 0.00 0.00 0.00 175.76 172.90 2klb s ILE 117 N -3.27 0.79 -0.21 0.00 2.07 -1.26 -4.78 121.20 114.54 2klb s ILE 117 Ca 0.67 -1.19 -0.04 0.00 -1.41 0.00 0.00 60.65 58.69 2klb s ILE 117 Cb -0.05 -1.51 0.01 0.00 0.13 0.00 0.00 42.46 41.04 2klb s ILE 117 CO 0.46 -0.56 0.07 0.54 -1.91 0.00 0.00 174.94 173.54 2klb n ARG 118 N 4.90 -3.28 -2.92 3.50 1.74 -1.26 -4.90 116.66 114.44 2klb n ARG 118 Ca -0.04 2.64 -0.44 0.00 -0.77 0.00 0.00 57.85 59.24 2klb n ARG 118 Cb 0.43 -4.43 0.00 0.00 -1.02 0.00 0.00 32.46 27.44 2klb n ARG 118 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2klb n ILE 119 N 1.20 4.69 0.00 0.55 2.08 -1.26 -4.81 119.36 121.81 2klb n ILE 119 Ca -0.12 -5.18 0.00 0.00 0.56 0.00 0.00 62.75 58.00 2klb n ILE 119 Cb 0.26 -2.36 0.00 0.00 -0.75 0.00 0.00 39.64 36.79 2klb n ILE 119 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2klb n LYS 120 N 3.16 0.00 0.00 0.38 4.81 -1.26 -3.70 118.16 121.55 2klb n LYS 120 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2klb n LYS 120 Cb 0.37 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.42 2klb n LYS 120 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2klb n GLN 121 N 0.00 0.00 -3.35 1.64 -0.06 -1.26 -2.12 117.38 112.23 2klb n GLN 121 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 2klb n GLN 121 Cb 0.00 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.09 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 5.11 0.08 1.69 -4.23 -1.26 -4.45 115.64 112.58 2klb s THR 122 Ca 0.00 0.09 -0.35 0.00 -1.18 0.00 0.00 61.69 60.25 2klb s THR 122 Cb 0.00 -3.89 -0.14 0.00 1.34 0.00 0.00 72.50 69.81 2klb s THR 122 CO 0.00 -0.16 1.59 -2.65 -0.54 0.00 0.00 174.62 172.86 2klb n PRO 123 N 5.51 1.90 -3.71 3.99 -0.02 -1.23 -4.99 135.00 136.46 2klb n PRO 123 Ca -0.08 0.69 -0.24 0.00 -2.02 0.00 0.00 63.50 61.85 2klb n PRO 123 Cb 0.49 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2klb n PRO 123 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2klb s THR 124 N 1.51 1.90 0.41 3.45 -4.23 -1.26 -4.95 115.64 112.46 2klb s THR 124 Ca 0.83 -1.39 0.15 0.00 -1.18 0.00 0.00 61.69 60.10 2klb s THR 124 Cb -0.76 -2.29 0.36 0.00 1.34 0.00 0.00 72.50 71.15 2klb s THR 124 CO 0.43 0.00 1.89 -0.33 -0.54 0.00 0.00 174.62 176.08 2klb h GLU 125 N 0.71 0.45 -0.90 3.99 5.08 -2.01 0.90 114.58 122.80 2klb h GLU 125 Ca -0.36 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.02 2klb h GLU 125 Cb 1.29 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2klb h GLU 125 CO 0.55 0.30 0.58 -0.91 -1.00 0.00 0.00 179.01 178.52 2klb h ASN 126 N 0.46 0.94 -0.63 1.42 -0.26 -1.99 -2.39 115.58 113.13 2klb h ASN 126 Ca 0.41 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 56.21 2klb h ASN 126 Cb 0.93 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.93 2klb h ASN 126 CO -0.15 0.63 0.34 0.74 -1.06 0.00 0.00 177.43 177.93 2klb h THR 127 N 1.09 0.96 -0.40 2.81 2.02 -1.19 -0.47 112.91 117.73 2klb h THR 127 Ca 0.37 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 67.35 2klb h THR 127 Cb 0.07 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 2klb h THR 127 CO -0.14 0.12 0.23 1.88 0.37 0.00 0.00 175.52 177.98 2klb h TYR 128 N 0.64 0.43 -0.22 3.16 -1.99 -1.33 0.19 116.97 117.84 2klb h TYR 128 Ca 0.28 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 61.00 2klb h TYR 128 Cb 0.18 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 2klb h TYR 128 CO -0.09 0.25 0.04 0.87 -0.00 0.00 0.00 178.16 179.23 2klb h LYS 129 N 0.47 0.31 0.09 4.88 1.57 -0.88 -0.63 116.57 122.38 2klb h LYS 129 Ca 0.16 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.67 2klb h LYS 129 Cb 0.02 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.29 2klb h LYS 129 CO -0.08 0.30 -0.97 -0.07 -0.57 0.00 0.00 179.45 178.06 2klb h LEU 130 N 0.31 0.69 0.25 2.94 4.07 -0.71 -3.08 115.31 119.78 2klb h LEU 130 Ca 0.08 -0.84 -0.00 0.00 0.08 0.00 0.00 57.88 57.19 2klb h LEU 130 Cb 0.15 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 2klb h LEU 130 CO -0.00 1.46 -0.18 0.00 -1.08 0.00 0.00 178.44 178.64 2klb h GLU 132 N -0.42 -0.54 0.45 0.00 4.81 -1.29 0.35 114.58 117.94 2klb h GLU 132 Ca -0.02 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2klb h GLU 132 Cb 0.37 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2klb h GLU 132 CO 0.00 -0.35 -0.22 1.49 -0.73 0.00 0.00 179.01 179.20 2klb h GLU 133 N -0.56 -0.58 -0.80 1.92 4.22 -1.52 -0.57 114.58 116.69 2klb h GLU 133 Ca -0.06 0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.39 2klb h GLU 133 Cb 0.43 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2klb h GLU 133 CO 0.09 -0.34 0.36 0.00 -2.18 0.00 0.00 179.01 176.94 2klb h ALA 134 N -0.18 1.03 -0.04 2.92 0.00 -0.96 -0.20 119.26 121.82 2klb h ALA 134 Ca -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2klb h ALA 134 Cb 0.51 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2klb h ALA 134 CO 0.10 0.62 0.02 0.78 0.00 0.00 0.00 179.25 180.77 2klb h GLY 135 N 1.14 0.06 1.00 0.00 0.00 -0.85 -0.24 103.07 104.19 2klb h GLY 135 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2klb h GLY 135 CO -0.03 0.03 0.40 -0.84 0.00 0.00 0.00 176.54 176.09 2klb h THR 136 N -0.01 1.21 -0.78 4.70 2.02 -0.97 -0.91 112.91 118.17 2klb h THR 136 Ca 0.01 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2klb h THR 136 Cb 0.07 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 2klb h THR 136 CO -0.00 0.22 0.50 -0.78 0.37 0.00 0.00 175.52 175.82 2klb h ASP 137 N 0.94 0.91 -0.48 4.18 3.58 -0.86 0.35 116.42 125.04 2klb h ASP 137 Ca 0.25 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2klb h ASP 137 Cb 0.00 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2klb h ASP 137 CO -0.04 0.67 0.21 0.25 -2.88 0.00 0.00 179.24 177.46 2klb h LEU 138 N 1.06 0.64 -1.55 2.28 5.85 -0.75 -2.58 115.31 120.25 2klb h LEU 138 Ca 0.28 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2klb h LEU 138 Cb -0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2klb h LEU 138 CO -0.06 0.61 0.37 1.23 -0.34 0.00 0.00 178.44 180.25 2klb h GLY 139 N 0.63 0.68 2.00 3.75 0.00 -0.47 -1.07 103.07 108.59 2klb h GLY 139 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2klb h GLY 139 CO -0.02 0.19 -0.14 1.46 0.00 0.00 0.00 176.54 178.03 2klb h GLN 140 N 0.57 0.00 0.09 4.80 4.20 -0.55 -0.37 115.11 123.85 2klb h GLN 140 Ca 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 2klb h GLN 140 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2klb h GLN 140 CO -0.06 0.14 -0.04 2.35 -0.67 0.00 0.00 178.83 180.54 2klb h TRP 141 N 0.00 -0.11 -0.56 2.96 7.01 -1.06 -3.18 115.95 121.00 2klb h TRP 141 Ca -0.00 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.04 2klb h TRP 141 Cb 0.34 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.39 2klb h TRP 141 CO 0.00 0.42 0.30 0.28 -2.79 0.00 0.00 178.44 176.64 2klb h VAL 142 N -0.76 0.97 0.17 2.65 2.07 -1.10 -1.60 116.25 118.64 2klb h VAL 142 Ca -0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2klb h VAL 142 Cb 0.58 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2klb h VAL 142 CO 0.02 0.10 -0.08 0.00 0.02 0.00 0.00 177.57 177.63 2klb h THR 143 N 0.57 0.88 -0.62 2.57 1.03 -1.21 0.67 112.91 116.81 2klb h THR 143 Ca 0.25 -0.18 -0.05 0.00 -0.01 0.00 0.00 66.41 66.41 2klb h THR 143 Cb 0.14 0.99 -0.03 0.00 -1.07 0.00 0.00 68.15 68.18 2klb h THR 143 CO -0.16 0.04 0.18 0.03 -0.01 0.00 0.00 175.52 175.60 2klb h ARG 144 N -0.31 0.97 -0.01 0.00 3.08 -1.51 0.50 114.38 117.10 2klb h ARG 144 Ca -0.02 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 2klb h ARG 144 Cb 0.24 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2klb h ARG 144 CO 0.04 0.87 0.00 0.22 -1.07 0.00 0.00 179.97 180.03 2klb h ASP 145 N 0.89 0.01 0.96 7.04 3.58 -1.23 -2.87 116.42 124.81 2klb h ASP 145 Ca 0.20 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2klb h ASP 145 Cb 0.32 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2klb h ASP 145 CO -0.00 0.27 -0.15 -1.14 -2.88 0.00 0.00 179.24 175.34 2klb n ARG 146 N -4.96 0.06 -0.19 0.28 3.00 0.22 -2.46 116.66 112.62 2klb n ARG 146 Ca -0.08 0.04 0.05 0.00 -0.00 0.00 0.00 57.85 57.86 2klb n ARG 146 Cb 0.15 -1.56 0.14 0.00 0.00 0.00 0.00 32.46 31.19 2klb n ARG 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2klb n LEU 147 N -1.66 1.84 -1.52 6.15 -0.00 0.16 -4.91 117.00 117.06 2klb n LEU 147 Ca 0.06 -0.92 -0.18 0.00 -0.00 0.00 0.00 56.01 54.96 2klb n LEU 147 Cb 0.36 -0.25 -0.08 0.00 -0.00 0.00 0.00 43.42 43.45 2klb n LEU 147 CO 0.30 0.42 -0.18 1.21 -0.00 0.00 0.00 177.39 179.14 2klb n GLU 148 N 0.41 -1.41 0.00 1.96 2.13 -1.03 -3.54 120.64 119.16 2klb n GLU 148 Ca 0.11 1.09 0.00 0.00 0.66 0.00 0.00 57.16 59.02 2klb n GLU 148 Cb 0.31 -5.44 0.00 0.00 0.27 0.00 0.00 31.44 26.58 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2klb n HIS 149 N -2.23 0.00 -0.26 4.31 -0.00 -1.09 -3.18 115.22 112.77 2klb n HIS 149 Ca -0.18 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.59 2klb n HIS 149 Cb 0.61 0.00 0.28 0.00 -0.00 0.00 0.00 29.99 30.88 2klb n HIS 149 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2klb n HIS 150 N 0.00 1.39 0.40 1.57 8.25 -1.26 -4.19 115.22 121.37 2klb n HIS 150 Ca 0.00 -0.49 0.14 0.00 -0.26 0.00 0.00 57.72 57.10 2klb n HIS 150 Cb 0.00 -0.34 0.45 0.00 1.12 0.00 0.00 29.99 31.21 2klb n HIS 150 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2klb h HIS 151 N 2.88 0.00 -3.63 4.41 2.76 -1.59 -3.41 115.15 116.57 2klb h HIS 151 Ca 0.00 0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 57.56 2klb h HIS 151 Cb 1.45 0.00 -0.38 0.00 1.55 0.00 0.00 27.41 30.02 2klb h HIS 151 CO 0.73 0.00 -0.79 -1.58 -1.30 0.00 0.00 177.93 174.99 2klb s HIS 152 N -3.32 2.41 0.43 5.26 2.46 -1.26 -5.09 115.29 116.18 2klb s HIS 152 Ca 0.06 -1.77 -0.25 0.00 0.47 0.00 0.00 55.06 53.57 2klb s HIS 152 Cb 0.09 -1.59 -0.08 0.00 -0.13 0.00 0.00 32.58 30.87 2klb s HIS 152 CO 0.54 -0.78 1.30 -1.58 -2.47 0.00 0.00 174.74 171.76 2klb s HIS 153 N 1.39 2.74 0.00 3.88 2.46 -1.26 -5.08 115.29 119.42 2klb s HIS 153 Ca -0.06 1.41 0.00 0.00 0.47 0.00 0.00 55.06 56.88 2klb s HIS 153 Cb -0.19 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 2klb s HIS 153 CO -0.06 -2.18 0.00 1.58 -2.47 0.00 0.00 174.74 171.61