#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 -5.42 -2.77 0.44 2.08 -1.22 -3.37 119.36 109.09 2klb n ILE 2 Ca 0.00 0.69 -0.42 0.00 0.56 0.00 0.00 62.75 63.58 2klb n ILE 2 Cb 0.00 -4.50 -0.03 0.00 -0.75 0.00 0.00 39.64 34.36 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 -0.27 2.08 -0.48 7.39 0.00 -1.10 -1.16 107.32 113.78 2klb s GLY 3 Ca -0.05 0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.65 2klb s GLY 3 CO 0.22 1.87 0.56 0.14 0.00 0.00 0.00 173.10 175.90 2klb s VAL 4 N 2.37 4.96 -0.52 1.40 1.01 0.71 -0.71 120.40 129.62 2klb s VAL 4 Ca 0.43 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2klb s VAL 4 Cb -0.17 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.03 2klb s VAL 4 CO 0.13 -0.70 0.75 -0.36 0.00 0.00 0.00 175.10 174.92 2klb s PHE 5 N 2.41 2.95 0.31 5.22 0.40 -0.09 -2.13 117.98 127.05 2klb s PHE 5 Ca 0.13 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 2klb s PHE 5 Cb -0.19 -3.73 0.00 0.00 0.51 0.00 0.00 43.02 39.61 2klb s PHE 5 CO 0.12 -1.14 0.40 2.48 0.70 0.00 0.00 175.22 177.77 2klb n TYR 6 N 6.68 -1.21 -3.70 0.36 4.11 -0.84 -0.87 117.16 121.69 2klb n TYR 6 Ca -0.03 -2.18 -0.29 0.00 -0.00 0.00 0.00 57.90 55.40 2klb n TYR 6 Cb 0.46 0.44 -0.16 0.00 -0.00 0.00 0.00 39.34 40.09 2klb n TYR 6 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2klb s VAL 7 N -2.86 0.55 0.60 -3.48 0.11 -1.26 -0.51 120.40 113.54 2klb s VAL 7 Ca 0.28 -0.90 0.29 0.00 -2.93 0.00 0.00 61.98 58.72 2klb s VAL 7 Cb -0.00 -1.26 0.37 0.00 -1.53 0.00 0.00 36.38 33.96 2klb s VAL 7 CO 0.20 -0.47 1.90 0.28 -3.33 0.00 0.00 175.10 173.68 2klb h SER 8 N 8.22 0.00 0.51 3.54 0.02 -1.95 -0.34 113.55 123.55 2klb h SER 8 Ca -0.16 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.62 2klb h SER 8 Cb 1.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2klb h SER 8 CO 0.40 0.00 -0.74 -0.08 -1.14 0.00 0.00 176.83 175.27 2klb h GLU 9 N 0.00 0.19 -5.70 3.45 4.22 -2.02 -3.43 114.58 111.28 2klb h GLU 9 Ca 0.19 -0.17 -0.66 0.00 0.08 0.00 0.00 59.36 58.80 2klb h GLU 9 Cb 1.12 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.27 2klb h GLU 9 CO -0.00 0.84 -0.57 -0.47 -2.18 0.00 0.00 179.01 176.63 2klb s TYR 10 N -3.47 3.30 0.00 0.92 6.14 -0.14 -5.03 117.35 119.08 2klb s TYR 10 Ca -0.03 0.25 0.00 0.00 0.64 0.00 0.00 57.07 57.93 2klb s TYR 10 Cb 0.11 -1.90 0.00 0.00 0.42 0.00 0.00 41.96 40.59 2klb s TYR 10 CO 0.81 0.46 0.00 0.41 0.64 0.00 0.00 175.55 177.87 2klb n GLY 11 N 2.45 0.57 0.23 8.97 0.00 -1.26 -3.39 105.19 112.76 2klb n GLY 11 Ca -0.18 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.27 0.14 -0.10 1.61 4.01 -1.26 -4.68 117.16 116.60 2klb n TYR 12 Ca 0.00 -0.07 -0.03 0.00 -0.16 0.00 0.00 57.90 57.65 2klb n TYR 12 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2klb n TYR 12 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2klb n SER 13 N -0.22 -0.25 -0.02 7.72 3.41 -1.22 0.09 113.62 123.15 2klb n SER 13 Ca 0.09 0.72 -0.02 0.00 -0.26 0.00 0.00 58.87 59.40 2klb n SER 13 Cb 0.14 -0.21 0.23 0.00 -0.26 0.00 0.00 64.21 64.11 2klb n SER 13 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2klb h ASP 14 N 0.00 0.54 -0.97 4.04 3.58 -1.84 0.49 116.42 122.26 2klb h ASP 14 Ca 0.04 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.36 2klb h ASP 14 Cb 0.10 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 2klb h ASP 14 CO -0.22 0.68 0.63 0.03 -2.88 0.00 0.00 179.24 177.48 2klb h ARG 15 N 0.52 1.28 -0.16 0.28 2.47 -0.69 -1.24 114.38 116.85 2klb h ARG 15 Ca 0.10 -0.09 -0.19 0.00 -1.26 0.00 0.00 59.98 58.55 2klb h ARG 15 Cb 0.48 -0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2klb h ARG 15 CO 0.03 0.86 -0.66 -0.07 0.56 0.00 0.00 179.97 180.69 2klb h LEU 16 N 1.32 0.70 -1.84 3.04 3.38 -0.33 -2.99 115.31 118.58 2klb h LEU 16 Ca 0.35 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2klb h LEU 16 Cb -0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2klb h LEU 16 CO -0.07 1.17 0.23 0.00 0.09 0.00 0.00 178.44 179.86 2klb h ALA 17 N 0.83 2.06 -0.82 1.53 0.00 -0.41 -1.40 119.26 121.05 2klb h ALA 17 Ca -0.02 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.02 2klb h ALA 17 Cb 1.24 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 2klb h ALA 17 CO 0.13 -0.13 0.40 0.37 0.00 0.00 0.00 179.25 180.02 2klb h GLN 18 N 0.20 0.57 -0.14 0.00 4.15 -1.09 0.09 115.11 118.90 2klb h GLN 18 Ca 0.15 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 2klb h GLN 18 Cb 0.35 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 2klb h GLN 18 CO -0.03 0.37 -0.05 0.00 -1.93 0.00 0.00 178.83 177.20 2klb h ALA 19 N 1.55 0.19 0.30 3.38 0.00 -1.37 -2.06 119.26 121.25 2klb h ALA 19 Ca 0.45 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2klb h ALA 19 Cb 0.63 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2klb h ALA 19 CO -0.36 -0.04 -0.29 0.82 0.00 0.00 0.00 179.25 179.37 2klb h ILE 20 N -0.04 0.39 -0.53 0.00 2.04 -1.27 -0.37 117.51 117.73 2klb h ILE 20 Ca 0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.98 2klb h ILE 20 Cb 0.49 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2klb h ILE 20 CO 0.02 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.72 2klb h ILE 21 N -0.62 0.76 -0.02 -0.67 2.04 -1.06 -1.51 117.51 116.44 2klb h ILE 21 Ca -0.01 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2klb h ILE 21 Cb 0.57 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2klb h ILE 21 CO -0.06 0.06 -0.02 -1.13 0.00 0.00 0.00 178.15 177.00 2klb h ASN 22 N 0.31 -0.06 -0.16 1.72 -0.73 -1.11 0.11 115.58 115.66 2klb h ASN 22 Ca 0.26 0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.46 2klb h ASN 22 Cb 0.33 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 2klb h ASN 22 CO -0.30 -0.03 0.07 1.23 -0.37 0.00 0.00 177.43 178.03 2klb h GLY 23 N -0.03 0.21 1.81 1.57 0.00 -0.71 -0.76 103.07 105.15 2klb h GLY 23 Ca 0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.15 2klb h GLY 23 CO -0.04 0.04 -0.61 -2.22 0.00 0.00 0.00 176.54 173.71 2klb h ILE 24 N 0.16 1.40 -0.00 2.60 5.03 -1.21 -2.72 117.51 122.77 2klb h ILE 24 Ca 0.07 -2.02 -0.13 0.00 -0.12 0.00 0.00 64.86 62.66 2klb h ILE 24 Cb 0.02 2.04 -0.02 0.00 -3.03 0.00 0.00 36.82 35.83 2klb h ILE 24 CO -0.05 0.59 -0.60 0.00 -0.68 0.00 0.00 178.15 177.41 2klb h THR 25 N 0.15 1.43 0.00 -0.27 1.03 -0.66 -1.02 112.91 113.56 2klb h THR 25 Ca -0.01 -2.05 -0.02 0.00 -0.01 0.00 0.00 66.41 64.32 2klb h THR 25 Cb 1.11 2.10 -0.00 0.00 -1.07 0.00 0.00 68.15 70.29 2klb h THR 25 CO 0.09 0.59 -0.10 0.11 -0.01 0.00 0.00 175.52 176.20 2klb h LYS 26 N 0.01 0.00 0.19 0.00 1.79 -0.89 -2.34 116.57 115.33 2klb h LYS 26 Ca -0.01 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.15 2klb h LYS 26 Cb 1.07 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.75 2klb h LYS 26 CO 0.08 0.10 -1.33 1.15 -1.08 0.00 0.00 179.45 178.37 2klb h THR 27 N 0.00 1.30 0.00 -0.16 2.02 -1.06 -3.49 112.91 111.52 2klb h THR 27 Ca -0.00 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 2klb h THR 27 Cb 0.33 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 2klb h THR 27 CO 0.01 0.78 0.00 0.61 0.37 0.00 0.00 175.52 177.29 2klb n GLY 28 N 1.57 1.52 0.00 2.16 0.00 -0.46 -5.07 105.19 104.91 2klb n GLY 28 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.05 0.00 0.00 1.61 0.31 -1.08 -5.03 118.33 113.09 2klb n VAL 29 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 2klb n VAL 29 Cb 0.00 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 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 2.21 2.48 3.91 2.92 0.00 -1.26 -4.86 105.19 110.59 2klb n GLY 30 Ca 0.00 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 2klb n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2klb s VAL 31 N 0.00 4.98 -0.16 1.61 -7.23 -1.22 -0.45 120.40 117.94 2klb s VAL 31 Ca 0.00 0.07 -0.14 0.00 -1.81 0.00 0.00 61.98 60.10 2klb s VAL 31 Cb 0.00 -3.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.10 2klb s VAL 31 CO 0.00 -0.53 0.29 -1.81 -0.31 0.00 0.00 175.10 172.74 2klb s ASP 32 N -3.57 6.44 -0.26 4.85 1.01 -0.31 -4.58 116.67 120.24 2klb s ASP 32 Ca 0.45 0.51 -0.16 0.00 0.71 0.00 0.00 52.55 54.06 2klb s ASP 32 Cb -0.10 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 2klb s ASP 32 CO 0.35 0.11 0.43 -0.69 0.21 0.00 0.00 175.17 175.58 2klb s VAL 33 N 0.39 5.14 -0.26 -1.27 1.01 -1.26 -0.21 120.40 123.93 2klb s VAL 33 Ca 0.16 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 2klb s VAL 33 Cb -0.13 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.59 2klb s VAL 33 CO 0.04 0.13 0.07 -0.69 0.00 0.00 0.00 175.10 174.66 2klb s VAL 34 N 2.13 0.64 -0.62 2.92 1.01 -0.91 -4.96 120.40 120.61 2klb s VAL 34 Ca 0.17 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 2klb s VAL 34 Cb -0.16 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.90 2klb s VAL 34 CO 0.10 -0.49 1.40 -1.81 0.00 0.00 0.00 175.10 174.30 2klb s ASP 35 N 1.76 6.08 -1.10 3.32 1.01 -1.25 -1.99 116.67 124.50 2klb s ASP 35 Ca 0.05 0.07 -0.24 0.00 0.71 0.00 0.00 52.55 53.14 2klb s ASP 35 Cb -0.17 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.08 2klb s ASP 35 CO -0.20 -1.79 1.95 0.00 0.21 0.00 0.00 175.17 175.35 2klb n LEU 36 N 9.74 2.83 0.00 1.23 -0.00 0.33 -1.97 117.00 129.16 2klb n LEU 36 Ca 0.10 -3.00 0.00 0.00 -0.00 0.00 0.00 56.01 53.11 2klb n LEU 36 Cb 0.49 -1.65 0.00 0.00 -0.00 0.00 0.00 43.42 42.26 2klb n LEU 36 CO 0.71 -2.01 0.00 0.61 -0.00 0.00 0.00 177.39 176.71 2klb n GLY 37 N 5.70 0.25 3.81 1.47 0.00 -1.26 -4.75 105.19 110.42 2klb n GLY 37 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 2klb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klb s ALA 38 N 0.00 2.72 -1.15 4.61 0.00 -0.83 -4.93 121.76 122.18 2klb s ALA 38 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 2klb s ALA 38 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2klb s ALA 38 CO 0.00 -1.03 2.09 0.00 0.00 0.00 0.00 175.76 176.82 2klb n ALA 39 N -2.67 4.49 -1.77 0.00 0.00 -1.26 -4.95 120.51 114.35 2klb n ALA 39 Ca 0.08 -3.62 -0.36 0.00 0.00 0.00 0.00 53.44 49.53 2klb n ALA 39 Cb 0.53 -3.58 -0.00 0.00 0.00 0.00 0.00 19.45 16.39 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 4.10 3.11 0.36 0.00 -7.23 -1.26 -5.05 120.40 114.44 2klb s VAL 40 Ca 0.52 0.79 0.07 0.00 -1.81 0.00 0.00 61.98 61.55 2klb s VAL 40 Cb 0.14 -3.37 -0.01 0.00 0.56 0.00 0.00 36.38 33.70 2klb s VAL 40 CO 0.01 -0.06 0.46 -0.62 -0.31 0.00 0.00 175.10 174.58 2klb s ASP 41 N -1.50 5.73 0.61 4.85 2.15 -1.26 -4.97 116.67 122.27 2klb s ASP 41 Ca 0.67 -0.33 0.30 0.00 0.43 0.00 0.00 52.55 53.62 2klb s ASP 41 Cb -0.27 -1.00 1.71 0.00 -0.30 0.00 0.00 42.92 43.06 2klb s ASP 41 CO 0.32 -0.52 2.08 -0.07 -0.17 0.00 0.00 175.17 176.81 2klb h LEU 42 N 0.89 0.00 -0.10 -1.34 -0.00 -1.98 -0.64 115.31 112.13 2klb h LEU 42 Ca -0.44 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.46 2klb h LEU 42 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 2klb h LEU 42 CO 0.52 0.00 0.01 -0.61 -0.00 0.00 0.00 178.44 178.36 2klb h GLN 43 N 0.00 0.05 -0.18 1.13 4.15 -1.99 0.11 115.11 118.37 2klb h GLN 43 Ca 0.08 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 2klb h GLN 43 Cb 0.53 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2klb h GLN 43 CO -0.00 0.03 -0.06 0.93 -1.93 0.00 0.00 178.83 177.80 2klb h GLU 44 N 0.05 0.37 -0.41 1.69 3.07 -1.53 -2.93 114.58 114.89 2klb h GLU 44 Ca 0.04 -0.15 0.04 0.00 -0.50 0.00 0.00 59.36 58.79 2klb h GLU 44 Cb 0.04 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.90 2klb h GLU 44 CO -0.07 0.65 0.19 -0.07 -1.40 0.00 0.00 179.01 178.31 2klb h LEU 45 N 0.07 0.26 -0.47 1.33 3.38 -1.26 0.21 115.31 118.83 2klb h LEU 45 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2klb h LEU 45 Cb 0.52 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2klb h LEU 45 CO 0.02 0.19 0.26 -0.09 0.09 0.00 0.00 178.44 178.91 2klb h ARG 46 N 0.38 0.65 -0.54 1.13 2.43 -0.84 -2.07 114.38 115.53 2klb h ARG 46 Ca 0.18 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2klb h ARG 46 Cb 0.11 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2klb h ARG 46 CO -0.14 0.50 0.13 1.49 -1.51 0.00 0.00 179.97 180.44 2klb h GLU 47 N 0.62 0.86 -0.85 0.20 4.57 -1.30 -2.96 114.58 115.72 2klb h GLU 47 Ca 0.17 -0.21 0.10 0.00 -1.18 0.00 0.00 59.36 58.24 2klb h GLU 47 Cb 0.04 -0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.44 2klb h GLU 47 CO -0.03 0.81 0.49 1.25 -1.18 0.00 0.00 179.01 180.36 2klb h LEU 48 N 0.76 0.69 -1.24 1.64 5.85 -0.66 -0.63 115.31 121.72 2klb h LEU 48 Ca 0.17 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.04 2klb h LEU 48 Cb 0.34 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2klb h LEU 48 CO 0.00 0.38 0.56 0.58 -0.34 0.00 0.00 178.44 179.62 2klb h VAL 49 N 0.80 0.96 0.00 1.05 2.07 -1.21 -0.02 116.25 119.91 2klb h VAL 49 Ca 0.42 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 2klb h VAL 49 Cb 0.42 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2klb h VAL 49 CO -0.26 0.15 -0.09 1.23 0.02 0.00 0.00 177.57 178.62 2klb h GLY 50 N 0.84 0.00 -2.28 2.17 0.00 -1.11 -3.05 103.07 99.64 2klb h GLY 50 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2klb h GLY 50 CO -0.16 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.92 2klb n ARG 51 N -3.18 2.49 0.00 4.80 5.12 -0.14 -4.55 116.66 121.20 2klb n ARG 51 Ca 0.01 -2.28 0.05 0.00 -1.93 0.00 0.00 57.85 53.70 2klb n ARG 51 Cb 0.41 -1.50 0.28 0.00 -1.16 0.00 0.00 32.46 30.48 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 1.11 -2.43 0.00 1.35 -1.84 -3.40 112.91 107.69 2klb h THR 53 Ca 0.00 -0.28 -0.08 0.00 -0.55 0.00 0.00 66.41 65.49 2klb h THR 53 Cb 0.00 0.20 -0.23 0.00 -1.73 0.00 0.00 68.15 66.39 2klb h THR 53 CO 0.00 0.15 -0.09 -0.83 -0.25 0.00 0.00 175.52 174.50 2klb s GLY 54 N -3.51 -0.41 0.20 5.82 0.00 -1.19 -1.68 107.32 106.55 2klb s GLY 54 Ca -0.10 1.56 -0.23 0.00 0.00 0.00 0.00 44.72 45.95 2klb s GLY 54 CO 0.77 1.39 0.86 0.48 0.00 0.00 0.00 173.10 176.60 2klb s LEU 55 N 0.43 -0.21 -0.03 0.66 0.05 0.31 -2.70 118.68 117.19 2klb s LEU 55 Ca -0.01 -0.48 0.03 0.00 0.05 0.00 0.00 54.13 53.72 2klb s LEU 55 Cb -0.04 2.38 0.00 0.00 -2.05 0.00 0.00 46.19 46.48 2klb s LEU 55 CO -0.01 -1.07 -0.10 0.54 -0.55 0.00 0.00 176.35 175.15 2klb s VAL 56 N -3.53 0.86 -0.11 1.48 0.11 0.11 -1.31 120.40 118.01 2klb s VAL 56 Ca 0.12 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 2klb s VAL 56 Cb -0.03 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2klb s VAL 56 CO 0.04 0.26 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.33 2klb s ILE 57 N 0.13 3.29 0.00 7.04 1.09 -0.33 -0.91 121.20 131.51 2klb s ILE 57 Ca -0.02 -0.59 0.00 0.00 -1.10 0.00 0.00 60.65 58.93 2klb s ILE 57 Cb -0.08 -2.37 0.00 0.00 -1.06 0.00 0.00 42.46 38.94 2klb s ILE 57 CO 0.01 0.54 0.00 0.61 -0.10 0.00 0.00 174.94 176.00 2klb n GLY 58 N 3.13 0.59 3.36 6.18 0.00 -0.05 -1.28 105.19 117.13 2klb n GLY 58 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2klb n GLY 58 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2klb s MET 59 N 3.45 0.99 0.22 1.61 1.75 -1.18 -4.86 119.30 121.28 2klb s MET 59 Ca 0.00 -0.28 0.09 0.00 -1.25 0.00 0.00 55.69 54.25 2klb s MET 59 Cb 0.00 0.45 -0.04 0.00 2.84 0.00 0.00 34.83 38.07 2klb s MET 59 CO 0.00 -0.35 -0.07 -1.54 -0.65 0.00 0.00 175.02 172.42 2klb s SER 60 N -1.98 4.33 0.68 1.11 1.04 -1.26 -4.50 113.70 113.12 2klb s SER 60 Ca -0.05 -0.63 -0.17 0.00 0.48 0.00 0.00 55.95 55.58 2klb s SER 60 Cb -0.01 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.38 2klb s SER 60 CO -0.02 0.06 1.23 -2.16 0.98 0.00 0.00 173.24 173.33 2klb s PRO 61 N -3.20 2.42 0.33 4.02 0.04 -1.26 -2.45 135.00 134.90 2klb s PRO 61 Ca 0.28 1.86 0.11 0.00 0.04 0.00 0.00 61.00 63.29 2klb s PRO 61 Cb -0.08 -1.86 0.98 0.00 0.04 0.00 0.00 34.50 33.58 2klb s PRO 61 CO 0.17 -1.64 1.67 0.00 0.04 0.00 0.00 177.00 177.24 2klb h ALA 62 N 0.18 1.78 -0.06 8.56 0.00 -1.92 -0.23 119.26 127.56 2klb h ALA 62 Ca -0.49 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2klb h ALA 62 Cb 1.31 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2klb h ALA 62 CO 0.52 -0.51 -0.08 0.00 0.00 0.00 0.00 179.25 179.18 2klb h ALA 63 N 1.82 0.09 0.00 0.00 0.00 -1.99 -3.20 119.26 115.97 2klb h ALA 63 Ca 0.68 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2klb h ALA 63 Cb 1.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2klb h ALA 63 CO -0.60 -0.09 0.00 0.43 0.00 0.00 0.00 179.25 178.99 2klb n SER 64 N -4.71 0.63 -0.10 0.00 7.64 -0.21 -2.86 113.62 114.03 2klb n SER 64 Ca -0.08 0.67 0.18 0.00 1.01 0.00 0.00 58.87 60.65 2klb n SER 64 Cb 0.32 -0.80 0.60 0.00 -1.01 0.00 0.00 64.21 63.32 2klb n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2klb h ALA 65 N 2.25 2.33 -0.38 -0.43 0.00 -1.26 0.72 119.26 122.49 2klb h ALA 65 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2klb h ALA 65 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2klb h ALA 65 CO 0.00 -0.51 0.25 0.00 0.00 0.00 0.00 179.25 178.99 2klb h ALA 66 N 1.68 1.83 -0.40 0.00 0.00 -1.73 -0.38 119.26 120.25 2klb h ALA 66 Ca 0.33 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2klb h ALA 66 Cb 0.98 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2klb h ALA 66 CO -0.06 0.13 -0.14 0.77 0.00 0.00 0.00 179.25 179.94 2klb h SER 67 N 0.42 0.82 -0.44 0.00 0.02 -1.09 -2.50 113.55 110.78 2klb h SER 67 Ca 0.15 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 2klb h SER 67 Cb 0.09 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2klb h SER 67 CO -0.03 1.02 0.16 0.40 -1.14 0.00 0.00 176.83 177.23 2klb h ILE 68 N 0.62 1.21 -0.69 3.27 2.04 -1.31 -0.19 117.51 122.46 2klb h ILE 68 Ca 0.10 -0.66 0.13 0.00 1.00 0.00 0.00 64.86 65.42 2klb h ILE 68 Cb 0.68 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 37.49 2klb h ILE 68 CO 0.05 0.24 0.23 -0.61 0.00 0.00 0.00 178.15 178.06 2klb h GLN 69 N 0.57 0.36 -0.01 2.37 4.15 -1.02 0.18 115.11 121.70 2klb h GLN 69 Ca 0.14 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 2klb h GLN 69 Cb 0.22 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2klb h GLN 69 CO -0.01 0.24 -0.04 0.78 -1.93 0.00 0.00 178.83 177.87 2klb h GLY 70 N 0.37 0.05 1.05 2.39 0.00 -1.26 -3.31 103.07 102.35 2klb h GLY 70 Ca 0.37 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.68 2klb h GLY 70 CO -0.40 0.06 0.54 0.00 0.00 0.00 0.00 176.54 176.74 2klb h ALA 71 N 0.36 1.52 -0.59 3.60 0.00 -0.77 -2.79 119.26 120.58 2klb h ALA 71 Ca -0.00 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2klb h ALA 71 Cb 0.69 -0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 2klb h ALA 71 CO 0.01 0.39 -0.13 1.25 0.00 0.00 0.00 179.25 180.78 2klb h LEU 72 N 1.00 -0.51 -0.99 0.00 6.46 -0.74 0.13 115.31 120.66 2klb h LEU 72 Ca 0.33 0.17 0.01 0.00 -0.12 0.00 0.00 57.88 58.27 2klb h LEU 72 Cb 0.07 0.35 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 2klb h LEU 72 CO -0.10 -0.18 0.65 0.28 -0.62 0.00 0.00 178.44 178.46 2klb h SER 73 N 0.02 1.15 0.16 1.25 0.02 -1.62 0.44 113.55 114.96 2klb h SER 73 Ca 0.29 -0.04 -0.21 0.00 -0.84 0.00 0.00 61.79 60.99 2klb h SER 73 Cb 0.45 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2klb h SER 73 CO -0.59 0.84 -0.83 0.74 -1.14 0.00 0.00 176.83 175.85 2klb h THR 74 N 1.35 1.35 0.09 -2.27 2.02 -1.30 -2.55 112.91 111.61 2klb h THR 74 Ca 0.36 -2.19 -0.00 0.00 0.77 0.00 0.00 66.41 65.35 2klb h THR 74 Cb -0.14 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2klb h THR 74 CO -0.08 0.67 -0.04 0.40 0.37 0.00 0.00 175.52 176.84 2klb h ILE 75 N 0.34 0.00 0.00 3.11 2.04 -0.45 -2.99 117.51 119.57 2klb h ILE 75 Ca -0.06 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2klb h ILE 75 Cb 1.44 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2klb h ILE 75 CO 0.15 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.21 2klb h LEU 76 N -0.25 0.00 -0.08 1.44 3.38 -1.08 0.38 115.31 119.10 2klb h LEU 76 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2klb h LEU 76 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2klb h LEU 76 CO 0.02 0.02 -0.26 1.23 0.09 0.00 0.00 178.44 179.54 2klb h GLY 77 N 0.31 0.00 0.00 0.83 0.00 -1.57 -3.34 103.07 99.30 2klb h GLY 77 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2klb h GLY 77 CO 0.00 0.00 -2.18 1.44 0.00 0.00 0.00 176.54 175.80 2klb n SER 78 N -3.18 0.26 -3.69 0.19 7.64 -0.07 -5.02 113.62 109.76 2klb n SER 78 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 2klb n SER 78 Cb 0.62 1.34 0.25 0.00 -1.01 0.00 0.00 64.21 65.41 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 -2.84 1.56 0.65 0.44 -7.23 -0.11 -5.02 120.40 107.86 2klb s VAL 79 Ca -0.09 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.97 2klb s VAL 79 Cb 0.09 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 2klb s VAL 79 CO 0.82 0.00 1.05 0.21 -0.31 0.00 0.00 175.10 176.87 2klb s ASN 80 N -4.04 5.93 0.30 4.85 3.84 -1.26 -4.96 114.94 119.59 2klb s ASN 80 Ca 0.72 1.35 0.04 0.00 0.21 0.00 0.00 52.86 55.19 2klb s ASN 80 Cb -0.08 -2.31 0.76 0.00 -0.55 0.00 0.00 41.25 39.07 2klb s ASN 80 CO 0.56 -1.06 1.68 -0.08 -2.79 0.00 0.00 177.10 175.41 2klb h GLU 81 N -0.45 0.33 -3.11 0.43 4.81 -1.96 -3.41 114.58 111.22 2klb h GLU 81 Ca -0.44 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 58.57 2klb h GLU 81 Cb 1.21 -0.07 -0.29 0.00 0.63 0.00 0.00 28.75 30.23 2klb h GLU 81 CO 0.62 0.22 -0.50 -1.59 -0.73 0.00 0.00 179.01 177.03 2klb s LYS 82 N -5.88 0.20 0.36 1.92 -2.85 -1.26 -4.92 119.74 107.32 2klb s LYS 82 Ca -0.12 0.44 0.04 0.00 -1.00 0.00 0.00 55.97 55.33 2klb s LYS 82 Cb 0.26 -0.06 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 2klb s LYS 82 CO 0.78 -0.12 0.17 1.14 0.10 0.00 0.00 175.35 177.41 2klb s GLN 83 N 0.90 1.80 -0.36 1.78 -2.07 -1.26 -5.04 119.66 115.41 2klb s GLN 83 Ca -0.06 -2.07 -0.12 0.00 -1.82 0.00 0.00 55.36 51.29 2klb s GLN 83 Cb -0.08 -0.29 0.01 0.00 -1.09 0.00 0.00 33.01 31.57 2klb s GLN 83 CO -0.06 -0.50 0.22 0.00 -1.32 0.00 0.00 175.29 173.63 2klb s ALA 84 N -3.36 3.36 0.41 2.60 0.00 -0.68 -3.60 121.76 120.49 2klb s ALA 84 Ca 0.31 -1.59 0.07 0.00 0.00 0.00 0.00 51.96 50.75 2klb s ALA 84 Cb 0.03 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 2klb s ALA 84 CO 0.18 -1.23 0.18 0.14 0.00 0.00 0.00 175.76 175.03 2klb s VAL 85 N 1.62 2.35 0.25 0.00 -7.23 -1.26 -0.53 120.40 115.60 2klb s VAL 85 Ca 0.04 -1.70 -0.15 0.00 -1.81 0.00 0.00 61.98 58.36 2klb s VAL 85 Cb -0.18 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2klb s VAL 85 CO 0.08 -0.01 0.54 -0.83 -0.31 0.00 0.00 175.10 174.56 2klb s GLY 86 N -3.90 0.31 0.01 2.32 0.00 -0.43 -4.52 107.32 101.11 2klb s GLY 86 Ca 0.41 -0.67 -0.02 0.00 0.00 0.00 0.00 44.72 44.44 2klb s GLY 86 CO 0.23 -0.46 0.18 -0.42 0.00 0.00 0.00 173.10 172.62 2klb s ILE 87 N -3.98 5.36 -0.20 0.90 -1.09 -1.26 -1.18 121.20 119.75 2klb s ILE 87 Ca 0.18 -0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.34 2klb s ILE 87 Cb -0.02 -3.52 0.06 0.00 -1.58 0.00 0.00 42.46 37.40 2klb s ILE 87 CO 0.07 0.29 0.05 0.12 -1.23 0.00 0.00 174.94 174.23 2klb s PHE 88 N -1.35 0.93 -0.73 3.97 5.36 -0.40 -4.79 117.98 120.97 2klb s PHE 88 Ca 0.28 -0.81 -0.26 0.00 -0.96 0.00 0.00 56.93 55.19 2klb s PHE 88 Cb -0.13 -1.00 -0.08 0.00 -0.34 0.00 0.00 43.02 41.48 2klb s PHE 88 CO 0.20 -0.61 2.18 -1.21 -1.46 0.00 0.00 175.22 174.32 2klb s GLU 89 N 1.89 2.15 -0.51 10.12 8.01 -1.26 -4.29 118.70 134.81 2klb s GLU 89 Ca -0.00 0.46 0.06 0.00 0.01 0.00 0.00 54.97 55.51 2klb s GLU 89 Cb -0.17 -4.76 0.20 0.00 -4.31 0.00 0.00 34.13 25.09 2klb s GLU 89 CO -0.09 -3.62 0.78 -2.37 0.01 0.00 0.00 175.26 169.97 2klb n THR 90 N 8.10 0.00 0.00 3.63 5.66 -1.26 -4.86 114.28 125.55 2klb n THR 90 Ca 0.38 -1.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 2klb n THR 90 Cb 0.48 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.36 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 2.64 1.45 2.33 1.09 0.00 -1.26 -3.07 105.19 108.37 2klb n GLY 91 Ca 0.16 0.46 -0.24 0.00 0.00 0.00 0.00 46.02 46.40 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 3.98 2.14 -0.02 0.00 -1.26 -4.62 105.19 105.41 2klb n GLY 92 Ca 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 1.55 0.26 0.00 -0.02 0.00 -1.26 -4.83 105.19 100.89 2klb n GLY 93 Ca 0.49 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2klb n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2klb n ASP 94 N 0.45 0.00 -0.80 1.61 9.92 -1.26 -5.07 116.55 121.40 2klb n ASP 94 Ca -0.04 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.26 2klb n ASP 94 Cb 0.54 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.00 2klb n ASP 94 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2klb n ASP 95 N 0.00 -4.35 -0.08 -2.24 2.03 -1.02 -4.86 116.55 106.02 2klb n ASP 95 Ca 0.00 0.90 -0.14 0.00 0.52 0.00 0.00 54.79 56.07 2klb n ASP 95 Cb 0.00 -2.45 -0.05 0.00 -0.72 0.00 0.00 41.12 37.91 2klb n ASP 95 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2klb n GLU 96 N -2.66 0.46 -0.00 -0.67 -0.58 -1.26 -4.59 120.64 111.33 2klb n GLU 96 Ca -0.03 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2klb n GLU 96 Cb 0.31 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 2klb n GLU 96 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2klb n PRO 97 N -4.20 1.01 -0.10 3.49 -0.04 -1.26 -4.46 135.00 129.44 2klb n PRO 97 Ca -0.24 -0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.11 2klb n PRO 97 Cb 0.58 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.01 0.14 0.39 0.52 2.10 -1.89 0.12 117.51 118.90 2klb h ILE 98 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 2klb h ILE 98 Cb 0.35 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.23 2klb h ILE 98 CO 0.00 0.00 -0.19 0.44 -1.08 0.00 0.00 178.15 177.32 2klb h ASP 99 N -0.35 -0.44 -0.84 2.19 3.32 -1.95 -1.79 116.42 116.55 2klb h ASP 99 Ca 0.13 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.26 2klb h ASP 99 Cb 0.58 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 2klb h ASP 99 CO -0.52 -0.27 0.48 -0.65 -1.72 0.00 0.00 179.24 176.56 2klb h PRO 100 N -0.58 0.76 0.44 3.56 0.11 -1.87 0.17 132.00 134.59 2klb h PRO 100 Ca -0.05 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 2klb h PRO 100 Cb 0.44 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 2klb h PRO 100 CO 0.09 0.50 -0.50 1.25 -0.21 0.00 0.00 178.00 179.14 2klb h LEU 101 N 0.78 -1.38 -1.26 2.35 5.85 -0.52 0.36 115.31 121.50 2klb h LEU 101 Ca 0.42 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 59.22 2klb h LEU 101 Cb 0.42 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2klb h LEU 101 CO -0.27 -0.64 0.16 -0.07 -0.34 0.00 0.00 178.44 177.28 2klb h LEU 102 N -0.95 0.61 -0.31 2.25 3.38 -1.17 -2.84 115.31 116.27 2klb h LEU 102 Ca -0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2klb h LEU 102 Cb 0.84 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2klb h LEU 102 CO -0.09 0.57 0.14 -1.28 0.09 0.00 0.00 178.44 177.87 2klb h SER 103 N 0.66 0.42 -0.46 -0.43 0.87 -0.61 -1.59 113.55 112.40 2klb h SER 103 Ca 0.16 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2klb h SER 103 Cb 0.17 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2klb h SER 103 CO -0.01 0.44 0.27 0.11 -0.53 0.00 0.00 176.83 177.11 2klb h LYS 104 N 0.36 0.62 -0.92 2.24 1.57 -0.71 -0.05 116.57 119.69 2klb h LYS 104 Ca 0.11 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2klb h LYS 104 Cb 0.14 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2klb h LYS 104 CO -0.01 0.47 0.60 0.74 -0.57 0.00 0.00 179.45 180.67 2klb h PHE 105 N 0.60 1.12 -0.03 -1.35 -1.00 -1.44 0.14 116.94 114.98 2klb h PHE 105 Ca 0.16 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.97 2klb h PHE 105 Cb 0.01 -0.37 -0.00 0.00 3.61 0.00 0.00 35.95 39.20 2klb h PHE 105 CO -0.03 0.64 0.01 -0.09 -1.61 0.00 0.00 178.31 177.23 2klb h ARG 106 N 1.15 0.04 0.08 1.51 1.12 -0.58 -2.32 114.38 115.38 2klb h ARG 106 Ca 0.37 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 59.10 2klb h ARG 106 Cb 0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 29.97 29.97 2klb h ARG 106 CO -0.12 0.17 -0.60 -0.91 -3.11 0.00 0.00 179.97 175.39 2klb h ASN 107 N -0.09 0.25 0.27 -3.80 2.35 -0.86 -3.33 115.58 110.37 2klb h ASN 107 Ca 0.01 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 2klb h ASN 107 Cb 0.14 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2klb h ASN 107 CO -0.00 1.28 0.00 -0.07 -1.65 0.00 0.00 177.43 176.99 2klb h LEU 108 N -0.64 0.00 -0.68 1.61 3.38 -0.86 -3.46 115.31 114.66 2klb h LEU 108 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2klb h LEU 108 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2klb h LEU 108 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2klb n GLY 109 N -0.83 0.80 2.13 0.83 0.00 -1.18 -5.03 105.19 101.90 2klb n GLY 109 Ca -0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 2klb n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2klb n LEU 110 N -0.34 0.00 -4.85 0.99 4.32 -0.88 -4.94 117.00 111.30 2klb n LEU 110 Ca 0.00 -1.06 -0.32 0.00 -0.02 0.00 0.00 56.01 54.62 2klb n LEU 110 Cb 0.25 -0.41 -0.04 0.00 -1.62 0.00 0.00 43.42 41.60 2klb n LEU 110 CO 0.00 -0.84 0.61 0.42 -1.22 0.00 0.00 177.39 176.36 2klb s THR 111 N -1.87 4.60 -0.25 -5.08 -4.23 -1.24 -4.94 115.64 102.63 2klb s THR 111 Ca 0.38 1.07 -0.14 0.00 -1.18 0.00 0.00 61.69 61.82 2klb s THR 111 Cb -0.02 -3.71 -0.10 0.00 1.34 0.00 0.00 72.50 70.01 2klb s THR 111 CO 0.25 -0.61 -0.34 0.35 -0.54 0.00 0.00 174.62 173.73 2klb n THR 112 N -1.42 1.46 -3.52 3.99 -2.24 -1.26 -4.63 114.28 106.66 2klb n THR 112 Ca 0.05 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 2klb n THR 112 Cb 0.54 -1.95 0.08 0.00 -2.10 0.00 0.00 70.33 66.90 2klb n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2klb n ALA 113 N -4.23 -1.47 -2.19 6.98 0.00 -1.26 -4.20 120.51 114.14 2klb n ALA 113 Ca -0.45 0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 2klb n ALA 113 Cb 0.80 -4.53 -0.01 0.00 0.00 0.00 0.00 19.45 15.71 2klb n ALA 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2klb n PHE 114 N -4.69 -2.50 -1.67 0.00 7.35 -1.26 -4.75 117.46 109.94 2klb n PHE 114 Ca -0.07 1.25 -0.29 0.00 -0.76 0.00 0.00 57.45 57.57 2klb n PHE 114 Cb 0.59 -2.98 -0.04 0.00 0.35 0.00 0.00 39.48 37.40 2klb n PHE 114 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2klb s PRO 115 N -0.91 2.07 0.81 -7.13 0.02 -1.26 -4.84 135.00 123.77 2klb s PRO 115 Ca -0.07 0.91 -0.14 0.00 0.02 0.00 0.00 61.00 61.72 2klb s PRO 115 Cb 0.00 -4.65 0.05 0.00 0.02 0.00 0.00 34.50 29.92 2klb s PRO 115 CO 0.47 -3.54 0.91 0.00 -0.33 0.00 0.00 177.00 174.51 2klb n ALA 116 N 16.09 -0.83 -1.80 -1.55 0.00 -1.26 -4.96 120.51 126.21 2klb n ALA 116 Ca 0.37 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 2klb n ALA 116 Cb 0.51 -2.08 -0.05 0.00 0.00 0.00 0.00 19.45 17.83 2klb n ALA 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2klb s ILE 117 N -2.13 3.81 -0.03 0.00 -1.16 -1.26 -4.96 121.20 115.48 2klb s ILE 117 Ca 0.69 1.79 -0.33 0.00 -0.51 0.00 0.00 60.65 62.29 2klb s ILE 117 Cb -0.29 -4.14 -0.11 0.00 0.61 0.00 0.00 42.46 38.53 2klb s ILE 117 CO 0.55 0.41 1.90 0.54 -2.81 0.00 0.00 174.94 175.53 2klb n ARG 118 N 1.49 2.41 -2.26 3.50 1.74 -1.26 -4.91 116.66 117.36 2klb n ARG 118 Ca -0.01 0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 57.55 2klb n ARG 118 Cb 0.46 -2.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.11 2klb n ARG 118 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2klb s ILE 119 N 4.00 3.13 0.00 0.55 1.09 -1.26 -4.99 121.20 123.71 2klb s ILE 119 Ca 0.91 1.06 0.00 0.00 -1.10 0.00 0.00 60.65 61.51 2klb s ILE 119 Cb -0.61 -3.67 0.00 0.00 -1.06 0.00 0.00 42.46 37.12 2klb s ILE 119 CO 0.48 0.22 0.67 1.17 -0.10 0.00 0.00 174.94 177.38 2klb n LYS 120 N 1.52 0.00 0.20 2.79 4.81 -1.26 -4.42 118.16 121.80 2klb n LYS 120 Ca 0.02 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 2klb n LYS 120 Cb 0.43 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.17 2klb n LYS 120 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2klb n GLN 121 N -1.86 0.00 -3.54 1.64 6.02 -1.26 -4.48 117.38 113.90 2klb n GLN 121 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 2klb n GLN 121 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 2klb n GLN 121 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2klb s THR 122 N -2.00 5.17 0.00 5.09 -4.23 -1.26 -4.37 115.64 114.04 2klb s THR 122 Ca 0.00 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 2klb s THR 122 Cb 0.00 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2klb s THR 122 CO 0.00 0.52 0.00 -0.81 -0.54 0.00 0.00 174.62 173.79 2klb n PRO 123 N 2.40 0.88 -4.37 3.99 -0.04 -1.26 -5.11 135.00 131.50 2klb n PRO 123 Ca -0.14 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.13 2klb n PRO 123 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 2klb n PRO 123 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2klb s THR 124 N 0.02 0.63 0.45 0.52 -4.23 -1.26 -5.03 115.64 106.74 2klb s THR 124 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 2klb s THR 124 Cb 0.00 -2.61 0.37 0.00 1.34 0.00 0.00 72.50 71.61 2klb s THR 124 CO 0.00 0.00 1.92 -0.33 -0.54 0.00 0.00 174.62 175.67 2klb h GLU 125 N 2.23 0.31 0.00 3.99 5.08 -2.04 -1.70 114.58 122.45 2klb h GLU 125 Ca -0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2klb h GLU 125 Cb 1.25 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2klb h GLU 125 CO 0.60 0.21 0.00 0.09 -1.00 0.00 0.00 179.01 178.91 2klb n ASN 126 N -4.45 0.10 0.07 1.42 3.02 -1.26 -1.39 115.26 112.76 2klb n ASN 126 Ca 0.15 0.53 0.02 0.00 -0.03 0.00 0.00 54.58 55.25 2klb n ASN 126 Cb 0.60 -0.55 0.37 0.00 -0.61 0.00 0.00 39.78 39.58 2klb n ASN 126 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2klb h THR 127 N 0.00 1.17 -0.57 3.41 2.02 -1.72 0.10 112.91 117.33 2klb h THR 127 Ca 0.00 -0.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 2klb h THR 127 Cb 0.13 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2klb h THR 127 CO 0.00 0.23 0.09 1.88 0.37 0.00 0.00 175.52 178.09 2klb h TYR 128 N 0.36 1.00 -0.03 3.16 0.05 -1.44 -0.79 116.97 119.28 2klb h TYR 128 Ca 0.08 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2klb h TYR 128 Cb 0.30 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 2klb h TYR 128 CO 0.01 0.87 0.02 -0.22 -1.05 0.00 0.00 178.16 177.79 2klb h LYS 129 N 0.84 0.04 0.75 4.88 3.64 -1.50 -2.07 116.57 123.15 2klb h LYS 129 Ca 0.17 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2klb h LYS 129 Cb 0.41 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2klb h LYS 129 CO 0.01 0.03 -0.40 1.25 -2.27 0.00 0.00 179.45 178.07 2klb h LEU 130 N 0.03 -0.98 -0.36 5.20 7.12 -0.72 -1.49 115.31 124.11 2klb h LEU 130 Ca 0.01 0.04 0.03 0.00 0.13 0.00 0.00 57.88 58.09 2klb h LEU 130 Cb 0.00 0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.37 2klb h LEU 130 CO -0.00 -0.66 0.18 0.00 -0.13 0.00 0.00 178.44 177.83 2klb h GLU 132 N 0.36 -0.48 -0.09 0.00 5.08 -1.40 0.17 114.58 118.22 2klb h GLU 132 Ca 0.15 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2klb h GLU 132 Cb 0.07 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2klb h GLU 132 CO -0.11 -0.20 0.01 0.93 -1.00 0.00 0.00 179.01 178.64 2klb h GLU 133 N -0.73 0.16 -0.48 2.33 5.08 -1.20 0.15 114.58 119.88 2klb h GLU 133 Ca -0.05 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2klb h GLU 133 Cb 0.50 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2klb h GLU 133 CO 0.08 0.37 0.07 0.00 -1.00 0.00 0.00 179.01 178.54 2klb h ALA 134 N 0.78 0.64 -0.86 3.43 0.00 -0.87 -1.69 119.26 120.69 2klb h ALA 134 Ca 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2klb h ALA 134 Cb 0.29 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2klb h ALA 134 CO 0.00 0.38 0.46 0.78 0.00 0.00 0.00 179.25 180.87 2klb h GLY 135 N 0.67 1.28 0.98 0.00 0.00 -0.59 0.30 103.07 105.72 2klb h GLY 135 Ca 0.14 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2klb h GLY 135 CO 0.01 0.56 0.26 -0.84 0.00 0.00 0.00 176.54 176.54 2klb h THR 136 N 1.20 1.19 0.60 4.70 2.02 -0.54 0.26 112.91 122.34 2klb h THR 136 Ca 0.30 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 2klb h THR 136 Cb 0.04 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2klb h THR 136 CO -0.05 0.21 -0.29 -0.78 0.37 0.00 0.00 175.52 174.98 2klb h ASP 137 N 0.68 -0.68 -0.59 4.18 3.58 -0.94 -1.14 116.42 121.52 2klb h ASP 137 Ca 0.18 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 2klb h ASP 137 Cb 0.09 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 2klb h ASP 137 CO -0.03 -0.33 0.21 0.25 -2.88 0.00 0.00 179.24 176.46 2klb h LEU 138 N -1.11 0.87 0.08 2.28 5.85 -1.03 -1.48 115.31 120.77 2klb h LEU 138 Ca -0.08 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2klb h LEU 138 Cb 0.61 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2klb h LEU 138 CO 0.13 0.81 -0.04 1.23 -0.34 0.00 0.00 178.44 180.24 2klb h GLY 139 N 1.02 -0.11 1.78 3.75 0.00 -0.54 -2.99 103.07 105.98 2klb h GLY 139 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2klb h GLY 139 CO -0.01 -0.04 0.00 -1.06 0.00 0.00 0.00 176.54 175.43 2klb n GLN 140 N -4.99 0.14 -0.06 4.80 6.02 -0.43 -2.30 117.38 120.55 2klb n GLN 140 Ca -0.08 0.14 0.16 0.00 -0.01 0.00 0.00 57.00 57.20 2klb n GLN 140 Cb 0.20 -1.50 0.58 0.00 1.02 0.00 0.00 30.24 30.53 2klb n GLN 140 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 2klb h TRP 141 N 0.00 0.27 -0.34 1.08 7.01 -1.11 -2.01 115.95 120.84 2klb h TRP 141 Ca 0.00 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.03 2klb h TRP 141 Cb 0.26 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 2klb h TRP 141 CO 0.00 0.11 0.18 0.28 -2.79 0.00 0.00 178.44 176.23 2klb h VAL 142 N 0.24 1.00 -0.03 2.65 2.07 -1.61 0.17 116.25 120.74 2klb h VAL 142 Ca 0.28 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.52 2klb h VAL 142 Cb 0.79 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2klb h VAL 142 CO -0.06 0.07 -0.71 0.00 0.02 0.00 0.00 177.57 176.89 2klb h THR 143 N 0.37 1.45 -0.27 2.57 1.03 -1.61 0.90 112.91 117.35 2klb h THR 143 Ca 0.14 -2.27 -0.15 0.00 -0.01 0.00 0.00 66.41 64.12 2klb h THR 143 Cb 0.04 2.21 -0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2klb h THR 143 CO -0.09 0.66 -0.40 0.03 -0.01 0.00 0.00 175.52 175.71 2klb h ARG 144 N 0.11 0.74 0.00 0.00 3.08 -1.14 0.13 114.38 117.31 2klb h ARG 144 Ca -0.02 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2klb h ARG 144 Cb 1.26 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2klb h ARG 144 CO 0.10 1.07 -0.47 -3.47 -1.07 0.00 0.00 179.97 176.13 2klb n ASP 145 N -4.17 1.62 0.03 7.04 2.03 0.58 -3.73 116.55 119.95 2klb n ASP 145 Ca -0.05 0.59 -0.09 0.00 0.52 0.00 0.00 54.79 55.76 2klb n ASP 145 Cb 0.54 -0.83 -0.07 0.00 -0.72 0.00 0.00 41.12 40.04 2klb n ASP 145 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2klb h ARG 146 N -0.90 -0.16 0.00 -0.67 3.08 -1.00 -3.27 114.38 111.46 2klb h ARG 146 Ca 0.00 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2klb h ARG 146 Cb 0.47 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2klb h ARG 146 CO 0.00 0.26 -0.23 1.25 -1.07 0.00 0.00 179.97 180.18 2klb h LEU 147 N -0.93 0.00 -1.70 3.04 6.46 -1.46 -3.47 115.31 117.25 2klb h LEU 147 Ca -0.02 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.49 2klb h LEU 147 Cb 0.50 0.00 0.13 0.00 -0.73 0.00 0.00 40.66 40.56 2klb h LEU 147 CO 0.03 0.23 -0.59 -0.62 -0.62 0.00 0.00 178.44 176.87 2klb n GLU 148 N -3.59 -5.12 0.32 1.25 1.02 -0.33 -4.89 120.64 109.30 2klb n GLU 148 Ca -0.01 0.65 0.20 0.00 -0.02 0.00 0.00 57.16 57.98 2klb n GLU 148 Cb 0.37 -5.08 1.07 0.00 -0.02 0.00 0.00 31.44 27.77 2klb n GLU 148 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2klb h HIS 149 N -1.48 0.00 0.00 -0.32 2.76 -0.94 -3.46 115.15 111.72 2klb h HIS 149 Ca -0.45 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2klb h HIS 149 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2klb h HIS 149 CO 0.34 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.55 2klb n HIS 150 N -3.23 0.00 -2.37 5.26 -0.00 -1.26 -4.80 115.22 108.82 2klb n HIS 150 Ca -0.02 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.73 2klb n HIS 150 Cb 0.16 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.00 2klb n HIS 150 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2klb s HIS 151 N 0.00 2.60 0.41 1.57 5.65 -1.26 -5.02 115.29 119.23 2klb s HIS 151 Ca 0.00 0.82 -0.23 0.00 0.25 0.00 0.00 55.06 55.90 2klb s HIS 151 Cb 0.00 -3.90 -0.09 0.00 -1.18 0.00 0.00 32.58 27.41 2klb s HIS 151 CO 0.00 -1.92 1.02 -3.38 -0.65 0.00 0.00 174.74 169.81 2klb s HIS 152 N 4.46 3.28 0.34 3.88 -3.43 -1.26 -5.08 115.29 117.48 2klb s HIS 152 Ca 0.59 1.65 0.07 0.00 -0.80 0.00 0.00 55.06 56.56 2klb s HIS 152 Cb -0.18 -3.05 -0.02 0.00 -1.43 0.00 0.00 32.58 27.90 2klb s HIS 152 CO 0.24 -0.48 0.34 -3.38 -2.00 0.00 0.00 174.74 169.46 2klb s HIS 153 N -1.79 2.93 -2.39 0.38 -3.43 -1.26 -5.27 115.29 104.47 2klb s HIS 153 Ca 0.59 -0.30 0.19 0.00 -0.80 0.00 0.00 55.06 54.74 2klb s HIS 153 Cb -0.19 -1.88 0.15 0.00 -1.43 0.00 0.00 32.58 29.24 2klb s HIS 153 CO 0.23 0.11 1.10 0.72 -2.00 0.00 0.00 174.74 174.91