#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 0.00-10.75 -2.70 0.44 2.08 -1.22 -2.64 119.36 104.57 2klb n ILE 2 Ca 0.00 2.01 -0.43 0.00 0.56 0.00 0.00 62.75 64.90 2klb n ILE 2 Cb 0.00 -6.12 -0.03 0.00 -0.75 0.00 0.00 39.64 32.74 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 -0.80 1.33 -0.53 7.39 0.00 -0.46 -0.78 107.32 113.48 2klb s GLY 3 Ca -0.16 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 43.58 2klb s GLY 3 CO 0.64 2.27 0.90 0.14 0.00 0.00 0.00 173.10 177.05 2klb s VAL 4 N 4.26 4.46 -0.25 1.40 1.01 0.12 -0.52 120.40 130.88 2klb s VAL 4 Ca 0.41 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 2klb s VAL 4 Cb -0.09 -4.49 0.01 0.00 0.00 0.00 0.00 36.38 31.81 2klb s VAL 4 CO 0.27 -1.02 -0.01 -0.36 0.00 0.00 0.00 175.10 173.97 2klb s PHE 5 N 3.76 3.05 0.27 5.22 0.08 0.05 -3.04 117.98 127.37 2klb s PHE 5 Ca 0.30 -1.14 -0.06 0.00 0.12 0.00 0.00 56.93 56.15 2klb s PHE 5 Cb -0.13 -2.13 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 2klb s PHE 5 CO 0.20 -0.61 0.38 1.52 -0.10 0.00 0.00 175.22 176.60 2klb s TYR 6 N 1.44 0.86 -0.95 0.36 1.13 -1.26 -0.88 117.35 118.04 2klb s TYR 6 Ca 0.03 -1.12 -0.12 0.00 -1.41 0.00 0.00 57.07 54.45 2klb s TYR 6 Cb -0.16 -0.13 0.24 0.00 -1.10 0.00 0.00 41.96 40.81 2klb s TYR 6 CO -0.02 -0.94 0.92 0.08 -2.51 0.00 0.00 175.55 173.08 2klb s VAL 7 N -3.71 5.74 0.64 -3.49 1.01 -1.26 -3.46 120.40 115.86 2klb s VAL 7 Ca 0.30 -2.83 0.24 0.00 0.00 0.00 0.00 61.98 59.69 2klb s VAL 7 Cb 0.02 -4.54 0.24 0.00 0.00 0.00 0.00 36.38 32.10 2klb s VAL 7 CO 0.14 -1.11 1.74 0.28 0.00 0.00 0.00 175.10 176.16 2klb h SER 8 N 7.35 0.00 0.00 3.32 0.02 -1.90 -2.60 113.55 119.74 2klb h SER 8 Ca 0.14 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.77 2klb h SER 8 Cb 0.97 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.46 2klb h SER 8 CO 0.87 0.00 -1.83 1.21 -1.14 0.00 0.00 176.83 175.94 2klb n GLU 9 N -2.79 0.57 -2.24 3.45 2.13 -1.26 -4.62 120.64 115.88 2klb n GLU 9 Ca -0.02 0.41 -0.43 0.00 0.66 0.00 0.00 57.16 57.78 2klb n GLU 9 Cb 0.48 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.56 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 -2.45 2.32 0.00 4.31 5.04 -0.98 -4.91 117.35 120.68 2klb s TYR 10 Ca -0.33 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2klb s TYR 10 Cb 0.10 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.40 2klb s TYR 10 CO 0.52 -2.40 0.00 0.41 -1.34 0.00 0.00 175.55 172.74 2klb n GLY 11 N 4.64 0.84 0.00 8.97 0.00 -1.26 -2.89 105.19 115.49 2klb n GLY 11 Ca 0.17 -0.83 0.01 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 0.00 0.00 -0.30 1.61 4.01 -1.26 -4.05 117.16 117.17 2klb n TYR 12 Ca 0.00 0.00 0.22 0.00 -0.16 0.00 0.00 57.90 57.96 2klb n TYR 12 Cb 0.00 0.00 0.50 0.00 -0.31 0.00 0.00 39.34 39.53 2klb n TYR 12 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2klb h SER 13 N 0.00 0.44 -0.35 7.72 0.87 -1.76 0.34 113.55 120.81 2klb h SER 13 Ca 0.00 0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.48 2klb h SER 13 Cb 0.00 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2klb h SER 13 CO 0.00 0.12 -0.37 -2.24 -0.53 0.00 0.00 176.83 173.81 2klb h ASP 14 N 0.41 0.94 -0.67 6.23 2.03 -1.76 -1.93 116.42 121.66 2klb h ASP 14 Ca 0.56 -0.47 -0.02 0.00 -0.73 0.00 0.00 57.03 56.37 2klb h ASP 14 Cb 1.41 -0.26 -0.03 0.00 -0.83 0.00 0.00 39.33 39.61 2klb h ASP 14 CO -0.26 1.22 0.34 0.03 -1.03 0.00 0.00 179.24 179.53 2klb h ARG 15 N 0.67 0.96 -0.10 4.15 2.47 -0.74 -0.57 114.38 121.23 2klb h ARG 15 Ca 0.05 -0.13 0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2klb h ARG 15 Cb 0.96 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 2klb h ARG 15 CO 0.09 0.75 0.04 -0.07 0.56 0.00 0.00 179.97 181.35 2klb h LEU 16 N 0.93 0.06 -0.69 3.04 3.38 -0.88 -1.85 115.31 119.30 2klb h LEU 16 Ca 0.23 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.28 2klb h LEU 16 Cb 0.10 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2klb h LEU 16 CO -0.03 0.05 0.38 0.00 0.09 0.00 0.00 178.44 178.92 2klb h ALA 17 N 1.05 0.93 -0.83 1.53 0.00 -1.06 -1.67 119.26 119.21 2klb h ALA 17 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2klb h ALA 17 Cb 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2klb h ALA 17 CO -0.03 0.04 0.54 0.37 0.00 0.00 0.00 179.25 180.16 2klb h GLN 18 N 0.68 1.09 -0.52 0.00 4.15 -0.84 0.82 115.11 120.49 2klb h GLN 18 Ca 0.31 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.59 2klb h GLN 18 Cb 0.23 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2klb h GLN 18 CO -0.20 0.73 0.02 0.00 -1.93 0.00 0.00 178.83 177.45 2klb h ALA 19 N 1.47 1.05 0.22 3.38 0.00 -0.49 -0.41 119.26 124.49 2klb h ALA 19 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2klb h ALA 19 Cb -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2klb h ALA 19 CO -0.06 0.60 -0.11 0.82 0.00 0.00 0.00 179.25 180.50 2klb h ILE 20 N 0.81 0.79 -0.67 0.00 2.04 -0.72 -3.28 117.51 116.48 2klb h ILE 20 Ca 0.16 -0.89 0.08 0.00 1.00 0.00 0.00 64.86 65.20 2klb h ILE 20 Cb 0.45 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2klb h ILE 20 CO 0.02 0.17 0.45 0.40 0.00 0.00 0.00 178.15 179.19 2klb h ILE 21 N -0.80 0.96 -0.58 -0.67 2.04 -0.85 -2.38 117.51 115.24 2klb h ILE 21 Ca -0.03 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 65.73 2klb h ILE 21 Cb 0.51 0.30 -0.11 0.00 -0.74 0.00 0.00 36.82 36.78 2klb h ILE 21 CO 0.05 0.11 -0.23 -1.13 0.00 0.00 0.00 178.15 176.95 2klb h ASN 22 N 0.61 -0.80 -0.00 1.72 -0.73 -1.12 0.70 115.58 115.96 2klb h ASN 22 Ca 0.30 0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.67 2klb h ASN 22 Cb 0.38 0.45 -0.00 0.00 0.27 0.00 0.00 38.32 39.42 2klb h ASN 22 CO -0.10 -0.25 -0.00 1.23 -0.37 0.00 0.00 177.43 177.94 2klb h GLY 23 N -0.08 0.00 0.99 1.57 0.00 -1.53 -3.12 103.07 100.91 2klb h GLY 23 Ca 0.26 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 2klb h GLY 23 CO -0.63 0.00 0.27 -2.22 0.00 0.00 0.00 176.54 173.96 2klb h ILE 24 N -0.35 1.22 -0.27 2.60 2.04 -1.31 0.22 117.51 121.65 2klb h ILE 24 Ca 0.00 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 2klb h ILE 24 Cb 0.35 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2klb h ILE 24 CO 0.00 0.25 -0.27 0.00 0.00 0.00 0.00 178.15 178.13 2klb h THR 25 N 0.82 1.27 0.03 -0.27 1.03 -0.97 -2.01 112.91 112.82 2klb h THR 25 Ca 0.20 -1.33 -0.26 0.00 -0.01 0.00 0.00 66.41 65.01 2klb h THR 25 Cb 0.14 1.36 -0.03 0.00 -1.07 0.00 0.00 68.15 68.55 2klb h THR 25 CO -0.02 0.43 -1.39 0.11 -0.01 0.00 0.00 175.52 174.63 2klb h LYS 26 N 0.47 0.07 -0.02 0.00 1.79 -1.45 -3.24 116.57 114.19 2klb h LYS 26 Ca 0.06 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 2klb h LYS 26 Cb 0.72 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2klb h LYS 26 CO 0.06 0.86 -0.25 1.15 -1.08 0.00 0.00 179.45 180.19 2klb h THR 27 N 0.02 1.19 -0.39 -0.16 2.02 -0.90 -3.47 112.91 111.21 2klb h THR 27 Ca -0.17 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2klb h THR 27 Cb 1.92 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 2klb h THR 27 CO 0.12 0.26 0.00 0.61 0.37 0.00 0.00 175.52 176.88 2klb n GLY 28 N -0.79 0.87 0.02 2.16 0.00 -0.78 -5.07 105.19 101.60 2klb n GLY 28 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.69 0.00 0.00 1.61 0.31 -1.04 -5.08 118.33 113.44 2klb n VAL 29 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2klb n VAL 29 Cb 0.16 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 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 2.24 3.44 2.73 2.92 0.00 -1.26 -4.89 105.19 110.38 2klb n GLY 30 Ca 0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 -0.12 -0.40 1.61 -7.23 -1.08 -4.50 120.40 106.69 2klb s VAL 31 Ca 0.00 0.36 -0.06 0.00 -1.81 0.00 0.00 61.98 60.46 2klb s VAL 31 Cb 0.00 -0.16 0.08 0.00 0.56 0.00 0.00 36.38 36.87 2klb s VAL 31 CO 0.00 0.15 0.21 -1.81 -0.31 0.00 0.00 175.10 173.33 2klb s ASP 32 N 1.87 5.42 -0.24 4.85 1.01 0.04 -4.71 116.67 124.91 2klb s ASP 32 Ca 0.01 -1.61 -0.12 0.00 0.71 0.00 0.00 52.55 51.53 2klb s ASP 32 Cb -0.12 -1.90 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 2klb s ASP 32 CO -0.04 -0.50 0.23 -0.69 0.21 0.00 0.00 175.17 174.38 2klb s VAL 33 N 1.32 5.31 -0.11 -1.27 1.01 -1.26 0.12 120.40 125.52 2klb s VAL 33 Ca 0.03 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2klb s VAL 33 Cb -0.22 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2klb s VAL 33 CO -0.00 0.30 -0.12 -0.69 0.00 0.00 0.00 175.10 174.59 2klb s VAL 34 N 1.26 1.32 -1.25 2.92 1.01 -1.17 -4.99 120.40 119.49 2klb s VAL 34 Ca 0.10 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 2klb s VAL 34 Cb -0.14 -1.24 0.08 0.00 0.00 0.00 0.00 36.38 35.07 2klb s VAL 34 CO 0.06 0.41 1.67 -1.81 0.00 0.00 0.00 175.10 175.43 2klb s ASP 35 N 1.23 6.81 0.57 3.32 1.11 -1.26 -4.09 116.67 124.36 2klb s ASP 35 Ca -0.02 -2.36 0.37 0.00 0.18 0.00 0.00 52.55 50.72 2klb s ASP 35 Cb -0.14 -2.56 1.70 0.00 1.07 0.00 0.00 42.92 42.99 2klb s ASP 35 CO -0.04 -1.18 2.10 0.17 1.18 0.00 0.00 175.17 177.39 2klb h LEU 36 N 12.34 0.00 -2.13 1.23 8.10 -1.95 -1.79 115.31 131.10 2klb h LEU 36 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.39 2klb h LEU 36 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.11 2klb h LEU 36 CO 1.43 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 176.37 2klb n GLY 37 N -0.36 1.96 0.00 0.17 0.00 -1.23 -4.89 105.19 100.84 2klb n GLY 37 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.39 0.00 -3.32 4.61 0.00 -0.67 -4.56 120.51 116.96 2klb n ALA 38 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.12 2klb n ALA 38 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.05 2klb n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klb s ALA 39 N -2.00 3.65 0.35 0.00 0.00 -1.26 -5.06 121.76 117.44 2klb s ALA 39 Ca 0.00 -2.56 0.07 0.00 0.00 0.00 0.00 51.96 49.47 2klb s ALA 39 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2klb s ALA 39 CO 0.00 -2.02 0.31 0.14 0.00 0.00 0.00 175.76 174.18 2klb s VAL 40 N 1.56 3.42 0.05 0.00 -7.23 -1.26 -5.05 120.40 111.88 2klb s VAL 40 Ca 0.03 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 2klb s VAL 40 Cb -0.29 -3.16 -0.00 0.00 0.56 0.00 0.00 36.38 33.48 2klb s VAL 40 CO 0.03 -0.15 0.04 -0.67 -0.31 0.00 0.00 175.10 174.04 2klb n ASP 41 N -1.40 -0.10 0.23 4.85 2.03 -1.26 -5.04 116.55 115.85 2klb n ASP 41 Ca -0.01 -1.30 0.12 0.00 0.52 0.00 0.00 54.79 54.12 2klb n ASP 41 Cb 0.60 0.24 0.73 0.00 -0.72 0.00 0.00 41.12 41.96 2klb n ASP 41 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2klb h LEU 42 N 0.00 0.00 -0.40 -2.67 7.12 -2.01 -2.91 115.31 114.44 2klb h LEU 42 Ca -0.03 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.05 2klb h LEU 42 Cb 0.16 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.23 2klb h LEU 42 CO 0.05 0.00 0.04 1.56 -0.13 0.00 0.00 178.44 179.95 2klb h GLN 43 N 0.00 0.15 -0.40 1.25 7.50 -2.00 0.30 115.11 121.91 2klb h GLN 43 Ca 0.04 -0.01 -0.12 0.00 0.50 0.00 0.00 58.65 59.07 2klb h GLN 43 Cb 0.19 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 2klb h GLN 43 CO -0.00 0.10 -0.21 0.93 -1.50 0.00 0.00 178.83 178.15 2klb h GLU 44 N 0.15 0.85 -0.87 1.46 3.07 -1.94 -3.08 114.58 114.23 2klb h GLU 44 Ca 0.20 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2klb h GLU 44 Cb 0.26 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 2klb h GLU 44 CO -0.30 1.02 0.52 1.25 -1.40 0.00 0.00 179.01 180.10 2klb h LEU 45 N 0.66 1.04 -0.32 1.33 7.12 -1.37 -2.43 115.31 121.35 2klb h LEU 45 Ca 0.09 -0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.07 2klb h LEU 45 Cb 0.77 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 40.60 2klb h LEU 45 CO 0.06 0.80 0.09 -0.09 -0.13 0.00 0.00 178.44 179.17 2klb h ARG 46 N 1.20 0.21 0.00 1.25 2.43 -0.34 -1.72 114.38 117.40 2klb h ARG 46 Ca 0.31 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.38 2klb h ARG 46 Cb -0.04 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2klb h ARG 46 CO -0.06 0.14 -0.41 0.93 -1.51 0.00 0.00 179.97 179.06 2klb h GLU 47 N 0.21 0.00 -0.20 0.20 5.08 -1.51 -3.06 114.58 115.31 2klb h GLU 47 Ca 0.14 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2klb h GLU 47 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2klb h GLU 47 CO -0.17 0.41 0.17 1.25 -1.00 0.00 0.00 179.01 179.68 2klb h LEU 48 N 0.00 0.00 -1.12 1.33 5.85 -0.81 0.18 115.31 120.74 2klb h LEU 48 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2klb h LEU 48 Cb 0.83 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 2klb h LEU 48 CO 0.05 0.00 0.43 0.58 -0.34 0.00 0.00 178.44 179.16 2klb h VAL 49 N 0.00 1.22 0.01 1.05 2.07 -1.48 -1.51 116.25 117.61 2klb h VAL 49 Ca 0.09 -0.52 -0.29 0.00 0.82 0.00 0.00 66.70 66.81 2klb h VAL 49 Cb 0.43 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 2klb h VAL 49 CO -0.00 0.24 -1.63 1.23 0.02 0.00 0.00 177.57 177.43 2klb h GLY 50 N 1.08 0.02 0.94 2.17 0.00 -1.19 -3.33 103.07 102.77 2klb h GLY 50 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2klb h GLY 50 CO -0.05 0.05 0.00 0.54 0.00 0.00 0.00 176.54 177.09 2klb n ARG 51 N -3.11 0.78 0.00 4.80 1.74 0.44 -4.00 116.66 117.30 2klb n ARG 51 Ca -0.15 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 56.95 2klb n ARG 51 Cb 1.04 -1.47 0.13 0.00 -1.02 0.00 0.00 32.46 31.14 2klb n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klb h THR 53 N 0.00 1.47 -1.80 0.00 1.35 -1.89 -3.40 112.91 108.64 2klb h THR 53 Ca 0.00 -3.12 0.02 0.00 -0.55 0.00 0.00 66.41 62.76 2klb h THR 53 Cb 0.00 2.72 -0.24 0.00 -1.73 0.00 0.00 68.15 68.91 2klb h THR 53 CO 0.00 0.84 0.26 -0.83 -0.25 0.00 0.00 175.52 175.54 2klb s GLY 54 N -4.69 -0.35 0.18 5.82 0.00 -1.11 -1.60 107.32 105.57 2klb s GLY 54 Ca 0.01 2.45 -0.24 0.00 0.00 0.00 0.00 44.72 46.95 2klb s GLY 54 CO 0.81 1.97 0.83 0.48 0.00 0.00 0.00 173.10 177.19 2klb s LEU 55 N 0.62 -0.27 -0.12 0.66 0.05 -0.21 -1.35 118.68 118.05 2klb s LEU 55 Ca -0.01 -0.38 -0.05 0.00 0.05 0.00 0.00 54.13 53.74 2klb s LEU 55 Cb -0.05 2.38 0.06 0.00 -2.05 0.00 0.00 46.19 46.53 2klb s LEU 55 CO -0.07 -1.02 0.25 0.54 -0.55 0.00 0.00 176.35 175.51 2klb s VAL 56 N -3.52 -0.36 -0.01 1.48 0.11 0.32 -0.18 120.40 118.24 2klb s VAL 56 Ca 0.10 0.27 0.01 0.00 -2.93 0.00 0.00 61.98 59.43 2klb s VAL 56 Cb -0.03 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 2klb s VAL 56 CO 0.01 0.11 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.24 2klb s ILE 57 N 2.27 4.06 0.00 7.04 1.09 -0.00 -0.77 121.20 134.88 2klb s ILE 57 Ca 0.00 -0.58 0.00 0.00 -1.10 0.00 0.00 60.65 58.97 2klb s ILE 57 Cb -0.12 -2.78 0.00 0.00 -1.06 0.00 0.00 42.46 38.50 2klb s ILE 57 CO -0.08 0.42 0.00 0.61 -0.10 0.00 0.00 174.94 175.79 2klb n GLY 58 N 1.57 0.82 3.44 6.18 0.00 -0.06 -1.36 105.19 115.78 2klb n GLY 58 Ca -0.15 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 1.18 3.57 -0.49 1.61 1.75 -1.23 -4.42 119.30 121.28 2klb s MET 59 Ca 0.00 -0.56 -0.17 0.00 -1.25 0.00 0.00 55.69 53.71 2klb s MET 59 Cb 0.00 -2.93 0.06 0.00 2.84 0.00 0.00 34.83 34.81 2klb s MET 59 CO 0.00 0.12 0.50 -1.54 -0.65 0.00 0.00 175.02 173.45 2klb s SER 60 N 0.67 6.18 0.67 1.11 1.04 -1.26 -4.75 113.70 117.37 2klb s SER 60 Ca -0.02 -1.12 -0.15 0.00 0.48 0.00 0.00 55.95 55.14 2klb s SER 60 Cb -0.15 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.75 2klb s SER 60 CO 0.02 -0.75 1.12 -2.16 0.98 0.00 0.00 173.24 172.44 2klb s PRO 61 N 2.10 2.70 0.42 4.02 0.04 -1.26 -4.61 135.00 138.41 2klb s PRO 61 Ca 0.09 1.40 0.20 0.00 0.04 0.00 0.00 61.00 62.73 2klb s PRO 61 Cb -0.22 -1.94 1.15 0.00 0.04 0.00 0.00 34.50 33.54 2klb s PRO 61 CO 0.09 -1.33 1.81 0.00 0.04 0.00 0.00 177.00 177.61 2klb h ALA 62 N -0.10 2.33 -0.84 8.56 0.00 -1.96 0.18 119.26 127.43 2klb h ALA 62 Ca -0.47 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.57 2klb h ALA 62 Cb 1.25 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2klb h ALA 62 CO 0.53 -0.68 0.49 0.00 0.00 0.00 0.00 179.25 179.60 2klb h ALA 63 N 1.59 1.20 0.13 0.00 0.00 -1.98 -1.19 119.26 119.02 2klb h ALA 63 Ca 0.54 0.02 -0.36 0.00 0.00 0.00 0.00 54.91 55.11 2klb h ALA 63 Cb 1.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2klb h ALA 63 CO -0.22 0.14 -1.97 0.66 0.00 0.00 0.00 179.25 177.86 2klb h SER 64 N 0.84 0.43 -1.00 0.00 4.64 -1.35 -3.37 113.55 113.73 2klb h SER 64 Ca 0.40 -0.95 0.22 0.00 -0.47 0.00 0.00 61.79 60.99 2klb h SER 64 Cb 0.33 -0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 62.17 2klb h SER 64 CO -0.23 1.85 0.61 0.00 -0.87 0.00 0.00 176.83 178.19 2klb h ALA 65 N 0.07 1.79 -0.57 5.18 0.00 -0.62 0.07 119.26 125.17 2klb h ALA 65 Ca -0.42 0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.67 2klb h ALA 65 Cb 2.03 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 2klb h ALA 65 CO 0.09 -0.21 0.21 0.00 0.00 0.00 0.00 179.25 179.35 2klb h ALA 66 N 1.68 0.73 0.01 0.00 0.00 -1.38 0.84 119.26 121.13 2klb h ALA 66 Ca 0.60 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 55.40 2klb h ALA 66 Cb 1.09 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2klb h ALA 66 CO -0.40 -0.20 -0.89 0.66 0.00 0.00 0.00 179.25 178.42 2klb h SER 67 N 0.39 0.17 0.16 0.00 4.64 -1.35 -3.11 113.55 114.45 2klb h SER 67 Ca 0.28 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 2klb h SER 67 Cb 0.34 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2klb h SER 67 CO -0.29 0.97 -0.14 0.40 -0.87 0.00 0.00 176.83 176.90 2klb h ILE 68 N 0.07 1.06 -0.50 0.95 2.04 -0.28 -2.65 117.51 118.19 2klb h ILE 68 Ca -0.04 -0.50 0.15 0.00 1.00 0.00 0.00 64.86 65.47 2klb h ILE 68 Cb 1.53 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 2klb h ILE 68 CO 0.13 0.14 0.48 1.56 0.00 0.00 0.00 178.15 180.46 2klb h GLN 69 N 0.00 0.00 0.00 2.37 1.08 -0.79 0.21 115.11 117.98 2klb h GLN 69 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2klb h GLN 69 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2klb h GLN 69 CO 0.02 0.00 -0.59 0.78 -0.95 0.00 0.00 178.83 178.09 2klb h GLY 70 N 0.00 0.00 1.99 3.46 0.00 -1.66 -3.40 103.07 103.46 2klb h GLY 70 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 2klb h GLY 70 CO -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.36 2klb h ALA 71 N -0.64 1.68 -0.55 3.60 0.00 -1.46 -3.15 119.26 118.75 2klb h ALA 71 Ca -0.12 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.72 2klb h ALA 71 Cb 0.79 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 2klb h ALA 71 CO -0.07 0.24 0.07 1.25 0.00 0.00 0.00 179.25 180.74 2klb h LEU 72 N 0.01 -0.08 -0.25 0.00 7.12 -0.81 -0.24 115.31 121.06 2klb h LEU 72 Ca 0.00 0.11 0.03 0.00 0.13 0.00 0.00 57.88 58.15 2klb h LEU 72 Cb 0.33 0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.60 2klb h LEU 72 CO 0.02 -0.02 0.08 0.28 -0.13 0.00 0.00 178.44 178.67 2klb h SER 73 N 0.20 0.08 -0.59 1.25 0.02 -1.78 0.13 113.55 112.86 2klb h SER 73 Ca 0.28 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 2klb h SER 73 Cb 0.42 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2klb h SER 73 CO -0.40 0.08 0.34 0.74 -1.14 0.00 0.00 176.83 176.45 2klb h THR 74 N 0.19 1.02 0.44 -2.27 2.02 -1.45 -1.57 112.91 111.29 2klb h THR 74 Ca 0.11 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2klb h THR 74 Cb 0.08 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2klb h THR 74 CO -0.12 0.12 -0.21 0.40 0.37 0.00 0.00 175.52 176.08 2klb h ILE 75 N 0.66 0.55 -0.74 3.11 2.04 -0.68 -2.66 117.51 119.78 2klb h ILE 75 Ca 0.25 -0.25 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2klb h ILE 75 Cb 0.09 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 2klb h ILE 75 CO -0.13 0.05 0.49 0.25 0.00 0.00 0.00 178.15 178.80 2klb h LEU 76 N -0.74 0.48 -0.29 1.44 5.85 -0.60 0.95 115.31 122.40 2klb h LEU 76 Ca -0.06 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2klb h LEU 76 Cb 0.53 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2klb h LEU 76 CO 0.10 0.27 -0.11 1.23 -0.34 0.00 0.00 178.44 179.59 2klb h GLY 77 N 0.52 0.00 0.12 3.75 0.00 -1.26 -3.33 103.07 102.87 2klb h GLY 77 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 2klb h GLY 77 CO -0.12 0.00 -1.93 1.44 0.00 0.00 0.00 176.54 175.93 2klb n SER 78 N -3.14 0.11 -4.63 0.19 7.64 0.15 -5.00 113.62 108.94 2klb n SER 78 Ca 0.03 0.04 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 2klb n SER 78 Cb 0.53 1.70 0.19 0.00 -1.01 0.00 0.00 64.21 65.61 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 -3.38 2.24 0.66 0.44 -7.23 -0.17 -4.89 120.40 108.07 2klb s VAL 79 Ca -0.07 0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 2klb s VAL 79 Cb 0.13 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 2klb s VAL 79 CO 0.89 -0.10 1.06 0.21 -0.31 0.00 0.00 175.10 176.84 2klb s ASN 80 N -2.80 5.83 0.24 4.85 3.84 -1.26 -4.98 114.94 120.66 2klb s ASN 80 Ca 0.66 1.32 -0.05 0.00 0.21 0.00 0.00 52.86 55.01 2klb s ASN 80 Cb -0.22 -2.26 0.42 0.00 -0.55 0.00 0.00 41.25 38.64 2klb s ASN 80 CO 0.60 -1.11 1.74 -0.08 -2.79 0.00 0.00 177.10 175.46 2klb h GLU 81 N -0.49 0.47 -3.54 0.43 4.81 -1.95 -3.43 114.58 110.88 2klb h GLU 81 Ca -0.44 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 58.57 2klb h GLU 81 Cb 1.22 -0.11 -0.25 0.00 0.63 0.00 0.00 28.75 30.24 2klb h GLU 81 CO 0.62 0.31 -0.58 -1.59 -0.73 0.00 0.00 179.01 177.05 2klb s LYS 82 N -6.03 0.24 0.36 1.92 -2.85 -1.26 -4.97 119.74 107.16 2klb s LYS 82 Ca -0.12 -0.08 -0.15 0.00 -1.00 0.00 0.00 55.97 54.62 2klb s LYS 82 Cb 0.20 0.10 0.04 0.00 -2.06 0.00 0.00 37.83 36.11 2klb s LYS 82 CO 0.76 -0.04 0.73 1.14 0.10 0.00 0.00 175.35 178.04 2klb s GLN 83 N -0.49 2.12 -0.40 1.78 0.00 -1.26 -4.91 119.66 116.49 2klb s GLN 83 Ca -0.06 -1.41 -0.19 0.00 -0.00 0.00 0.00 55.36 53.70 2klb s GLN 83 Cb -0.04 0.60 0.01 0.00 0.00 0.00 0.00 33.01 33.58 2klb s GLN 83 CO 0.00 -0.97 0.55 0.00 0.00 0.00 0.00 175.29 174.87 2klb s ALA 84 N -2.67 3.42 -0.14 2.60 0.00 -0.63 -1.61 121.76 122.74 2klb s ALA 84 Ca 0.17 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 2klb s ALA 84 Cb -0.04 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 2klb s ALA 84 CO 0.12 -1.50 -0.13 0.14 0.00 0.00 0.00 175.76 174.39 2klb s VAL 85 N 2.50 3.01 0.16 0.00 -7.23 -0.23 -1.05 120.40 117.56 2klb s VAL 85 Ca 0.19 -0.67 0.10 0.00 -1.81 0.00 0.00 61.98 59.79 2klb s VAL 85 Cb -0.15 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2klb s VAL 85 CO 0.15 0.52 -0.18 -0.83 -0.31 0.00 0.00 175.10 174.45 2klb s GLY 86 N 0.48 1.70 -0.12 2.32 0.00 0.75 -3.91 107.32 108.54 2klb s GLY 86 Ca -0.09 -1.49 -0.10 0.00 0.00 0.00 0.00 44.72 43.05 2klb s GLY 86 CO 0.04 -1.49 0.31 -1.50 0.00 0.00 0.00 173.10 170.46 2klb s ILE 87 N -1.48 -0.01 -0.15 0.90 1.10 -1.26 -0.82 121.20 119.49 2klb s ILE 87 Ca 0.21 0.03 -0.04 0.00 -0.51 0.00 0.00 60.65 60.34 2klb s ILE 87 Cb -0.09 -0.44 0.07 0.00 0.15 0.00 0.00 42.46 42.15 2klb s ILE 87 CO 0.11 0.01 0.18 0.72 -2.11 0.00 0.00 174.94 173.86 2klb s PHE 88 N 0.41 -0.18 -0.69 3.50 -0.71 -0.46 -4.87 117.98 114.98 2klb s PHE 88 Ca -0.02 0.34 -0.26 0.00 -1.04 0.00 0.00 56.93 55.95 2klb s PHE 88 Cb -0.04 -0.35 -0.12 0.00 -1.21 0.00 0.00 43.02 41.31 2klb s PHE 88 CO -0.02 -0.44 2.42 -1.21 -1.34 0.00 0.00 175.22 174.63 2klb s GLU 89 N 2.29 1.74 -1.20 1.99 2.02 -1.26 -3.49 118.70 120.80 2klb s GLU 89 Ca 0.04 0.81 -0.20 0.00 0.02 0.00 0.00 54.97 55.64 2klb s GLU 89 Cb -0.14 -4.72 -0.03 0.00 0.10 0.00 0.00 34.13 29.35 2klb s GLU 89 CO -0.09 -4.09 1.90 2.41 0.02 0.00 0.00 175.26 175.41 2klb n THR 90 N 8.55 2.81 -3.36 3.63 -1.04 -1.26 -4.86 114.28 118.75 2klb n THR 90 Ca 0.44 -2.82 0.00 0.00 -2.04 0.00 0.00 64.05 59.63 2klb n THR 90 Cb 0.47 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 2klb n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2klb n GLY 91 N 5.27 -2.00 3.23 3.41 0.00 -1.26 -4.61 105.19 109.22 2klb n GLY 91 Ca 0.48 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 44.54 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 4.45 2.59 -0.02 0.00 -0.66 -4.83 105.19 106.73 2klb n GLY 92 Ca 0.00 -2.61 -0.17 0.00 0.00 0.00 0.00 46.02 43.24 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 2.29 0.14 3.96 -0.02 0.00 -1.26 -4.82 105.19 105.47 2klb n GLY 93 Ca 0.24 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 2klb n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2klb s ASP 94 N -3.86 5.83 -0.18 1.61 2.15 -1.26 -5.02 116.67 115.94 2klb s ASP 94 Ca 0.46 0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.63 2klb s ASP 94 Cb -0.02 -1.45 0.04 0.00 -0.30 0.00 0.00 42.92 41.19 2klb s ASP 94 CO 0.31 -0.67 -0.09 1.51 -0.17 0.00 0.00 175.17 176.06 2klb s ASP 95 N -4.22 3.08 -0.14 -0.34 -4.77 -1.26 -4.37 116.67 104.65 2klb s ASP 95 Ca 0.48 -0.75 -0.15 0.00 -3.30 0.00 0.00 52.55 48.84 2klb s ASP 95 Cb -0.10 -1.10 -0.05 0.00 -1.09 0.00 0.00 42.92 40.57 2klb s ASP 95 CO 0.37 -0.15 -0.29 -0.62 0.70 0.00 0.00 175.17 175.18 2klb n GLU 96 N 4.77 0.44 -1.04 2.11 1.02 -1.26 -4.76 120.64 121.92 2klb n GLU 96 Ca -0.14 0.18 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 2klb n GLU 96 Cb 0.47 -1.28 0.22 0.00 -0.02 0.00 0.00 31.44 30.84 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 -4.28 2.85 0.11 3.49 -0.04 -1.26 -4.69 135.00 131.19 2klb n PRO 97 Ca -0.15 -2.79 -0.13 0.00 -0.04 0.00 0.00 63.50 60.39 2klb n PRO 97 Cb 0.47 -2.12 -0.08 0.00 -0.04 0.00 0.00 33.50 31.73 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 1.71 0.89 0.53 0.52 2.10 -1.98 -2.63 117.51 118.65 2klb h ILE 98 Ca 0.42 -0.16 -0.03 0.00 1.08 0.00 0.00 64.86 66.17 2klb h ILE 98 Cb 2.47 0.99 0.01 0.00 -1.09 0.00 0.00 36.82 39.20 2klb h ILE 98 CO 0.85 0.04 -0.25 0.44 -1.08 0.00 0.00 178.15 178.15 2klb h ASP 99 N -0.28 -0.60 -0.85 2.19 5.19 -1.97 -2.33 116.42 117.77 2klb h ASP 99 Ca -0.02 -0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 2klb h ASP 99 Cb 0.22 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 2klb h ASP 99 CO 0.03 -0.29 0.56 1.55 -3.12 0.00 0.00 179.24 177.97 2klb h PRO 100 N -0.92 1.10 0.70 3.56 0.13 -1.92 -0.56 132.00 134.08 2klb h PRO 100 Ca -0.07 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 2klb h PRO 100 Cb 0.62 -0.25 0.01 0.00 0.13 0.00 0.00 31.00 31.51 2klb h PRO 100 CO 0.12 0.73 -0.34 1.25 -0.23 0.00 0.00 178.00 179.53 2klb h LEU 101 N 1.13 -0.79 -1.21 1.56 6.46 -1.52 -2.77 115.31 118.17 2klb h LEU 101 Ca 0.32 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 58.04 2klb h LEU 101 Cb -0.11 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2klb h LEU 101 CO -0.08 -0.42 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.25 2klb h LEU 102 N -1.22 0.50 0.00 2.25 3.38 -1.41 -2.15 115.31 116.66 2klb h LEU 102 Ca -0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2klb h LEU 102 Cb 0.73 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2klb h LEU 102 CO 0.16 0.57 -0.00 -1.28 0.09 0.00 0.00 178.44 177.98 2klb h SER 103 N 0.51 -0.01 -0.46 -0.43 0.87 -1.14 0.12 113.55 113.01 2klb h SER 103 Ca 0.11 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2klb h SER 103 Cb 0.34 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2klb h SER 103 CO 0.01 0.02 0.09 0.50 -0.53 0.00 0.00 176.83 176.92 2klb h LYS 104 N -0.03 0.76 -0.93 2.24 3.64 -1.30 -2.39 116.57 118.55 2klb h LYS 104 Ca -0.00 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2klb h LYS 104 Cb 0.03 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 2klb h LYS 104 CO 0.00 0.77 0.61 0.74 -2.27 0.00 0.00 179.45 179.30 2klb h PHE 105 N 0.63 1.15 -0.87 1.91 -1.00 -1.28 -1.56 116.94 115.91 2klb h PHE 105 Ca 0.14 0.03 0.10 0.00 2.81 0.00 0.00 57.97 61.05 2klb h PHE 105 Cb 0.37 -0.39 -0.07 0.00 3.61 0.00 0.00 35.95 39.47 2klb h PHE 105 CO 0.03 0.69 0.51 -0.09 -1.61 0.00 0.00 178.31 177.84 2klb h ARG 106 N 1.21 0.83 0.00 1.51 1.12 -0.44 -0.05 114.38 118.56 2klb h ARG 106 Ca 0.36 -0.05 -0.10 0.00 -1.11 0.00 0.00 59.98 59.07 2klb h ARG 106 Cb -0.06 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 29.69 2klb h ARG 106 CO -0.10 0.55 -0.50 -0.97 -3.11 0.00 0.00 179.97 175.84 2klb h ASN 107 N 0.85 0.00 1.64 -3.80 -1.24 -0.86 -3.03 115.58 109.14 2klb h ASN 107 Ca 0.42 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.38 2klb h ASN 107 Cb 0.37 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2klb h ASN 107 CO -0.24 0.50 -0.36 -0.07 -1.29 0.00 0.00 177.43 175.96 2klb h LEU 108 N 0.00 0.00 0.00 0.34 3.38 -0.31 -3.48 115.31 115.23 2klb h LEU 108 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2klb h LEU 108 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2klb h LEU 108 CO 0.06 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2klb n GLY 109 N 1.17 2.22 1.88 0.83 0.00 -0.14 -4.97 105.19 106.19 2klb n GLY 109 Ca 0.02 0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.00 -4.40 0.99 4.77 -1.26 -4.58 117.00 112.53 2klb n LEU 110 Ca 0.00 1.43 -0.44 0.00 -0.03 0.00 0.00 56.01 56.96 2klb n LEU 110 Cb 0.00 -4.01 -0.06 0.00 -2.33 0.00 0.00 43.42 37.01 2klb n LEU 110 CO 0.00 -2.74 0.21 -0.89 -1.33 0.00 0.00 177.39 172.64 2klb s THR 111 N -2.04 5.04 -0.37 -5.08 2.01 -0.63 -5.01 115.64 109.56 2klb s THR 111 Ca 0.00 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 2klb s THR 111 Cb 0.00 -4.26 0.09 0.00 0.01 0.00 0.00 72.50 68.34 2klb s THR 111 CO 0.00 -0.77 0.14 0.42 -0.69 0.00 0.00 174.62 173.72 2klb s THR 112 N 2.14 3.14 0.13 -0.82 -4.23 -1.26 -1.07 115.64 113.68 2klb s THR 112 Ca 0.09 -1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 58.52 2klb s THR 112 Cb -0.23 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 2klb s THR 112 CO 0.08 -0.53 1.77 0.00 -0.54 0.00 0.00 174.62 175.41 2klb h ALA 113 N 8.00 0.32 -2.59 3.99 0.00 -1.91 -3.44 119.26 123.63 2klb h ALA 113 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2klb h ALA 113 Cb 1.05 -0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.53 2klb h ALA 113 CO 0.64 -0.25 -0.25 0.12 0.00 0.00 0.00 179.25 179.52 2klb s PHE 114 N -6.17 -0.62 -0.00 0.00 5.36 -1.26 -4.98 117.98 110.31 2klb s PHE 114 Ca -0.13 1.34 -0.01 0.00 -0.96 0.00 0.00 56.93 57.17 2klb s PHE 114 Cb 0.10 0.27 -0.01 0.00 -0.34 0.00 0.00 43.02 43.04 2klb s PHE 114 CO 0.70 -0.33 0.48 -1.00 -1.46 0.00 0.00 175.22 173.61 2klb h PRO 115 N 6.70 -0.03 -3.12 10.12 0.13 -1.90 -3.40 132.00 140.49 2klb h PRO 115 Ca -0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 2klb h PRO 115 Cb 1.19 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2klb h PRO 115 CO 0.27 -0.02 0.13 0.00 -0.23 0.00 0.00 178.00 178.14 2klb s ALA 116 N -3.06 -1.35 0.00 -0.56 0.00 -1.26 -4.90 121.76 110.63 2klb s ALA 116 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2klb s ALA 116 Cb 0.00 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2klb s ALA 116 CO 0.02 -0.76 0.00 1.51 0.00 0.00 0.00 175.76 176.52 2klb n ILE 117 N -0.35 0.00 -3.53 0.00 3.06 -1.26 -5.11 119.36 112.17 2klb n ILE 117 Ca -0.15 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 59.95 2klb n ILE 117 Cb 0.64 0.00 -0.12 0.00 0.54 0.00 0.00 39.64 40.70 2klb n ILE 117 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2klb s ARG 118 N 1.95 0.21 -0.00 9.51 3.03 -1.26 -5.08 118.95 127.30 2klb s ARG 118 Ca 0.00 0.49 0.00 0.00 2.03 0.00 0.00 55.73 58.25 2klb s ARG 118 Cb 0.00 -0.60 0.00 0.00 -1.03 0.00 0.00 34.95 33.33 2klb s ARG 118 CO 0.00 -0.50 -0.01 0.42 -1.13 0.00 0.00 175.30 174.08 2klb s ILE 119 N 2.41 0.09 -0.09 4.99 1.01 -1.26 -4.94 121.20 123.40 2klb s ILE 119 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 2klb s ILE 119 Cb -0.14 -0.10 -0.00 0.00 0.01 0.00 0.00 42.46 42.23 2klb s ILE 119 CO -0.11 0.03 -0.02 0.50 0.00 0.00 0.00 174.94 175.34 2klb h LYS 120 N 6.21 0.00 0.00 2.79 1.63 -1.98 -3.40 116.57 121.82 2klb h LYS 120 Ca -0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2klb h LYS 120 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2klb h LYS 120 CO 0.51 0.00 0.00 0.94 -3.45 0.00 0.00 179.45 177.45 2klb n GLN 121 N -4.42 0.00 -3.34 1.90 -0.06 -1.26 -3.47 117.38 106.73 2klb n GLN 121 Ca -0.01 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.61 2klb n GLN 121 Cb 0.03 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.15 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 -2.00 5.20 0.09 1.69 -4.23 -1.26 -1.65 115.64 113.48 2klb s THR 122 Ca 0.00 0.91 -0.34 0.00 -1.18 0.00 0.00 61.69 61.08 2klb s THR 122 Cb 0.00 -3.80 -0.13 0.00 1.34 0.00 0.00 72.50 69.91 2klb s THR 122 CO 0.00 0.33 1.66 -0.81 -0.54 0.00 0.00 174.62 175.26 2klb n PRO 123 N 3.67 2.14 -2.08 3.99 -0.04 -1.26 -4.82 135.00 136.60 2klb n PRO 123 Ca -0.08 0.78 -0.33 0.00 -0.04 0.00 0.00 63.50 63.83 2klb n PRO 123 Cb 0.52 -2.56 0.01 0.00 -0.04 0.00 0.00 33.50 31.42 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 1.79 3.83 0.43 0.52 -4.23 -1.26 -4.95 115.64 111.78 2klb s THR 124 Ca 0.83 0.88 0.25 0.00 -1.18 0.00 0.00 61.69 62.47 2klb s THR 124 Cb -0.69 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.03 2klb s THR 124 CO 0.42 -0.50 2.07 -0.33 -0.54 0.00 0.00 174.62 175.73 2klb h GLU 125 N 0.50 0.00 -0.87 3.99 5.08 -2.02 -0.72 114.58 120.55 2klb h GLU 125 Ca -0.47 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2klb h GLU 125 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2klb h GLU 125 CO 0.58 0.13 0.57 -0.97 -1.00 0.00 0.00 179.01 178.31 2klb h ASN 126 N 0.00 0.87 -0.92 1.42 -0.00 -2.01 -2.64 115.58 112.30 2klb h ASN 126 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 56.30 56.41 2klb h ASN 126 Cb 0.32 -0.19 -0.07 0.00 -0.00 0.00 0.00 38.32 38.38 2klb h ASN 126 CO 0.02 0.57 0.59 0.74 -0.00 0.00 0.00 177.43 179.35 2klb h THR 127 N 1.00 0.93 0.83 -3.57 2.02 -1.49 -1.06 112.91 111.56 2klb h THR 127 Ca 0.36 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 2klb h THR 127 Cb 0.16 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2klb h THR 127 CO -0.13 0.16 -0.48 1.88 0.37 0.00 0.00 175.52 177.32 2klb h TYR 128 N 0.87 -1.28 -0.16 3.16 -1.99 -1.57 0.95 116.97 116.95 2klb h TYR 128 Ca 0.44 -0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.21 2klb h TYR 128 Cb 0.50 0.45 -0.01 0.00 2.00 0.00 0.00 36.73 39.67 2klb h TYR 128 CO -0.00 -0.73 0.12 0.87 -0.00 0.00 0.00 178.16 178.42 2klb h LYS 129 N -1.22 0.00 0.01 4.88 1.57 -1.53 0.77 116.57 121.05 2klb h LYS 129 Ca -0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2klb h LYS 129 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2klb h LYS 129 CO 0.13 0.00 -0.00 1.25 -0.57 0.00 0.00 179.45 180.26 2klb h LEU 130 N 0.00 -0.01 -1.47 2.94 7.12 -0.98 -3.25 115.31 119.67 2klb h LEU 130 Ca 0.08 -0.51 -0.03 0.00 0.13 0.00 0.00 57.88 57.55 2klb h LEU 130 Cb 0.32 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 2klb h LEU 130 CO -0.00 0.51 -0.13 0.00 -0.13 0.00 0.00 178.44 178.69 2klb h GLU 132 N 0.00 -0.39 0.29 0.00 5.08 -0.92 0.33 114.58 118.96 2klb h GLU 132 Ca -0.00 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2klb h GLU 132 Cb 0.56 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2klb h GLU 132 CO 0.02 -0.26 -0.14 0.93 -1.00 0.00 0.00 179.01 178.56 2klb h GLU 133 N -0.41 -0.37 0.53 2.33 4.39 -1.56 -3.15 114.58 116.33 2klb h GLU 133 Ca -0.04 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2klb h GLU 133 Cb 0.32 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2klb h GLU 133 CO 0.07 -0.03 -0.39 0.00 -1.16 0.00 0.00 179.01 177.50 2klb h ALA 134 N -0.47 -0.93 -0.41 3.43 0.00 -1.23 -1.67 119.26 117.99 2klb h ALA 134 Ca -0.04 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2klb h ALA 134 Cb 0.51 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2klb h ALA 134 CO 0.07 -1.05 0.14 0.78 0.00 0.00 0.00 179.25 179.19 2klb h GLY 135 N -0.89 0.52 1.67 0.00 0.00 -0.51 -2.03 103.07 101.83 2klb h GLY 135 Ca -0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2klb h GLY 135 CO 0.02 0.03 -0.11 -0.84 0.00 0.00 0.00 176.54 175.64 2klb h THR 136 N 0.31 1.21 -0.83 4.70 2.02 -1.52 -3.03 112.91 115.76 2klb h THR 136 Ca 0.19 -0.90 0.12 0.00 0.77 0.00 0.00 66.41 66.59 2klb h THR 136 Cb 0.17 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 2klb h THR 136 CO -0.19 0.29 0.54 -0.78 0.37 0.00 0.00 175.52 175.75 2klb h ASP 137 N 0.38 0.62 -0.54 4.18 3.58 -0.53 -0.54 116.42 123.56 2klb h ASP 137 Ca 0.07 0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.61 2klb h ASP 137 Cb 0.42 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.32 2klb h ASP 137 CO 0.02 0.34 0.25 -0.07 -2.88 0.00 0.00 179.24 176.91 2klb h LEU 138 N 0.67 0.34 -0.54 2.28 -0.00 -1.52 -1.86 115.31 114.68 2klb h LEU 138 Ca 0.40 0.04 -0.14 0.00 -0.00 0.00 0.00 57.88 58.19 2klb h LEU 138 Cb 0.62 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 2klb h LEU 138 CO -0.16 0.23 -0.29 1.23 -0.00 0.00 0.00 178.44 179.45 2klb h GLY 139 N 0.49 0.95 0.76 0.83 0.00 -1.28 -3.19 103.07 101.63 2klb h GLY 139 Ca 0.25 -0.89 0.02 0.00 0.00 0.00 0.00 47.33 46.72 2klb h GLY 139 CO -0.20 0.80 -0.03 1.46 0.00 0.00 0.00 176.54 178.57 2klb h GLN 140 N 0.74 -0.01 -0.21 4.80 1.08 -0.87 -1.82 115.11 118.82 2klb h GLN 140 Ca 0.08 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.33 2klb h GLN 140 Cb 0.85 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.23 2klb h GLN 140 CO 0.07 -0.00 -0.11 2.35 -0.95 0.00 0.00 178.83 180.19 2klb h TRP 141 N -0.01 -0.26 0.17 2.96 7.01 -1.39 -0.51 115.95 123.93 2klb h TRP 141 Ca 0.06 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 2klb h TRP 141 Cb 0.09 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 2klb h TRP 141 CO -0.16 -0.17 -0.08 0.28 -2.79 0.00 0.00 178.44 175.52 2klb h VAL 142 N -0.09 0.88 -0.27 2.65 2.07 -1.51 -2.52 116.25 117.46 2klb h VAL 142 Ca 0.12 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 2klb h VAL 142 Cb 0.26 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2klb h VAL 142 CO -0.27 0.05 -0.24 0.00 0.02 0.00 0.00 177.57 177.14 2klb h THR 143 N -0.34 1.31 -0.33 2.57 1.03 -1.23 -2.94 112.91 112.97 2klb h THR 143 Ca -0.02 -1.39 -0.09 0.00 -0.01 0.00 0.00 66.41 64.89 2klb h THR 143 Cb 0.27 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.93 2klb h THR 143 CO 0.04 0.44 -0.16 0.03 -0.01 0.00 0.00 175.52 175.86 2klb h ARG 144 N 0.38 0.69 -0.05 0.00 3.08 -1.15 -2.67 114.38 114.66 2klb h ARG 144 Ca 0.05 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 2klb h ARG 144 Cb 0.79 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2klb h ARG 144 CO 0.06 0.90 -0.16 0.22 -1.07 0.00 0.00 179.97 179.92 2klb h ASP 145 N 0.46 0.06 1.41 7.04 3.58 -1.52 0.75 116.42 128.21 2klb h ASP 145 Ca 0.07 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2klb h ASP 145 Cb 0.69 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 2klb h ASP 145 CO 0.05 0.24 -0.12 -0.09 -2.88 0.00 0.00 179.24 176.44 2klb h ARG 146 N 0.07 0.00 0.00 0.28 2.43 -1.32 -3.39 114.38 112.45 2klb h ARG 146 Ca 0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2klb h ARG 146 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2klb h ARG 146 CO 0.02 0.12 -0.74 1.28 -1.51 0.00 0.00 179.97 179.14 2klb n LEU 147 N -3.18 1.10 -1.69 3.80 4.77 -0.80 -5.11 117.00 115.89 2klb n LEU 147 Ca 0.02 0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 56.16 2klb n LEU 147 Cb 0.47 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2klb n LEU 147 CO 0.33 -0.32 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.21 2klb n GLU 148 N -3.65 -2.25 0.12 3.23 -0.58 0.25 -5.09 120.64 112.68 2klb n GLU 148 Ca -0.09 1.92 0.00 0.00 -0.42 0.00 0.00 57.16 58.57 2klb n GLU 148 Cb 0.33 -2.49 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 2klb n GLU 148 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2klb n HIS 149 N 0.80 -2.37 -3.79 -0.32 8.25 -1.26 -5.11 115.22 111.42 2klb n HIS 149 Ca -0.05 0.51 -0.25 0.00 -0.26 0.00 0.00 57.72 57.68 2klb n HIS 149 Cb 0.07 1.07 -0.17 0.00 1.12 0.00 0.00 29.99 32.08 2klb n HIS 149 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2klb s HIS 150 N -1.73 0.91 0.01 4.41 3.76 -1.26 -5.13 115.29 116.26 2klb s HIS 150 Ca 0.00 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.42 2klb s HIS 150 Cb 0.00 -0.93 -0.05 0.00 1.11 0.00 0.00 32.58 32.71 2klb s HIS 150 CO 0.00 -0.42 0.28 -1.01 -0.85 0.00 0.00 174.74 172.74 2klb s HIS 151 N 1.90 3.58 -0.15 1.40 3.76 -1.26 -4.76 115.29 119.76 2klb s HIS 151 Ca 0.04 0.59 -0.10 0.00 -0.15 0.00 0.00 55.06 55.44 2klb s HIS 151 Cb -0.13 -2.00 0.04 0.00 1.11 0.00 0.00 32.58 31.59 2klb s HIS 151 CO -0.06 0.61 0.20 1.58 -0.85 0.00 0.00 174.74 176.22 2klb n HIS 152 N 1.12 -3.61 -4.59 1.40 -0.00 -1.26 -5.09 115.22 103.18 2klb n HIS 152 Ca -0.11 2.10 -0.28 0.00 -0.00 0.00 0.00 57.72 59.43 2klb n HIS 152 Cb 0.53 -3.45 -0.08 0.00 -0.00 0.00 0.00 29.99 26.99 2klb n HIS 152 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2klb s HIS 153 N -0.53 1.79 -2.82 1.57 -0.00 -1.26 -5.26 115.29 108.78 2klb s HIS 153 Ca -0.24 -1.23 0.25 0.00 -0.00 0.00 0.00 55.06 53.85 2klb s HIS 153 Cb 0.02 -1.28 0.51 0.00 -0.00 0.00 0.00 32.58 31.82 2klb s HIS 153 CO 0.64 -0.18 1.44 0.72 -0.00 0.00 0.00 174.74 177.36