#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 0.00-12.07 -2.81 0.44 2.08 -1.24 -2.06 119.36 103.70 2klb n ILE 2 Ca 0.00 2.75 -0.42 0.00 0.56 0.00 0.00 62.75 65.64 2klb n ILE 2 Cb 0.00 -5.82 -0.04 0.00 -0.75 0.00 0.00 39.64 33.04 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 -0.54 1.65 -0.33 7.39 0.00 -0.90 -1.73 107.32 112.86 2klb s GLY 3 Ca -0.04 -0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.24 2klb s GLY 3 CO 0.10 1.98 0.55 0.54 0.00 0.00 0.00 173.10 176.27 2klb s VAL 4 N 3.24 4.99 -0.38 1.40 0.11 0.16 -0.51 120.40 129.40 2klb s VAL 4 Ca 0.38 0.52 -0.18 0.00 -2.93 0.00 0.00 61.98 59.77 2klb s VAL 4 Cb -0.13 -3.97 0.01 0.00 -1.53 0.00 0.00 36.38 30.75 2klb s VAL 4 CO 0.13 -0.19 0.49 -0.36 -3.33 0.00 0.00 175.10 171.85 2klb s PHE 5 N 2.47 3.16 0.04 1.54 0.40 -0.45 -1.12 117.98 124.03 2klb s PHE 5 Ca 0.21 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.52 2klb s PHE 5 Cb -0.15 -2.95 -0.02 0.00 0.51 0.00 0.00 43.02 40.40 2klb s PHE 5 CO 0.13 -0.63 -0.09 1.52 0.70 0.00 0.00 175.22 176.85 2klb s TYR 6 N 2.34 0.75 -0.51 0.36 1.13 -1.21 -4.11 117.35 116.10 2klb s TYR 6 Ca 0.17 -0.45 -0.03 0.00 -1.41 0.00 0.00 57.07 55.35 2klb s TYR 6 Cb -0.16 -0.45 0.13 0.00 -1.10 0.00 0.00 41.96 40.39 2klb s TYR 6 CO 0.14 -0.05 0.32 0.08 -2.51 0.00 0.00 175.55 173.53 2klb s VAL 7 N -1.23 3.48 0.10 -3.49 1.01 -1.26 -3.82 120.40 115.19 2klb s VAL 7 Ca -0.07 -2.49 0.22 0.00 0.00 0.00 0.00 61.98 59.64 2klb s VAL 7 Cb -0.09 -3.33 0.22 0.00 0.00 0.00 0.00 36.38 33.18 2klb s VAL 7 CO 0.01 -0.78 1.65 0.28 0.00 0.00 0.00 175.10 176.25 2klb h SER 8 N 7.55 0.00 0.72 3.32 0.02 -1.88 -1.14 113.55 122.15 2klb h SER 8 Ca -0.08 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 2klb h SER 8 Cb 1.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 2klb h SER 8 CO 0.71 0.00 -1.38 1.21 -1.14 0.00 0.00 176.83 176.23 2klb n GLU 9 N -2.37 0.62 -4.20 3.45 2.13 -1.26 -4.82 120.64 114.19 2klb n GLU 9 Ca -0.01 0.21 -0.27 0.00 0.66 0.00 0.00 57.16 57.75 2klb n GLU 9 Cb 0.19 -1.81 -0.17 0.00 0.27 0.00 0.00 31.44 29.93 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 -2.97 1.61 0.00 4.31 5.04 -0.43 -5.10 117.35 119.80 2klb s TYR 10 Ca -0.03 -0.76 0.00 0.00 -2.44 0.00 0.00 57.07 53.85 2klb s TYR 10 Cb 0.09 -1.25 0.00 0.00 0.35 0.00 0.00 41.96 41.15 2klb s TYR 10 CO 0.81 -0.45 0.00 0.41 -1.34 0.00 0.00 175.55 174.98 2klb n GLY 11 N 4.48 0.28 0.00 8.97 0.00 -1.26 -3.62 105.19 114.05 2klb n GLY 11 Ca -0.17 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.57 0.00 0.16 1.61 4.01 -1.26 -3.38 117.16 117.74 2klb n TYR 12 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 2klb n TYR 12 Cb 0.00 -0.04 0.59 0.00 -0.31 0.00 0.00 39.34 39.58 2klb n TYR 12 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2klb h SER 13 N 0.00 0.12 -0.87 7.72 4.64 -1.82 0.18 113.55 123.52 2klb h SER 13 Ca 0.00 -0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 2klb h SER 13 Cb 0.03 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.04 2klb h SER 13 CO 0.00 0.08 0.56 -0.78 -0.87 0.00 0.00 176.83 175.82 2klb h ASP 14 N 0.13 0.82 0.27 4.97 3.58 -1.60 -2.97 116.42 121.62 2klb h ASP 14 Ca 0.07 0.01 -0.34 0.00 0.42 0.00 0.00 57.03 57.19 2klb h ASP 14 Cb 0.12 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 2klb h ASP 14 CO -0.01 0.51 -1.72 0.03 -2.88 0.00 0.00 179.24 175.17 2klb h ARG 15 N 0.92 0.33 -0.62 0.28 2.47 -1.03 -3.38 114.38 113.34 2klb h ARG 15 Ca 0.39 -0.56 0.13 0.00 -1.26 0.00 0.00 59.98 58.67 2klb h ARG 15 Cb 0.30 0.21 -0.10 0.00 -1.65 0.00 0.00 29.97 28.73 2klb h ARG 15 CO -0.15 1.22 0.08 -0.07 0.56 0.00 0.00 179.97 181.61 2klb h LEU 16 N 0.09 -0.11 -0.78 3.04 3.38 -0.72 -1.33 115.31 118.87 2klb h LEU 16 Ca -0.32 0.13 0.13 0.00 0.09 0.00 0.00 57.88 57.91 2klb h LEU 16 Cb 2.07 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 42.94 2klb h LEU 16 CO 0.16 -0.05 0.38 0.00 0.09 0.00 0.00 178.44 179.02 2klb h ALA 17 N 1.53 1.13 -0.21 1.53 0.00 -1.71 0.72 119.26 122.24 2klb h ALA 17 Ca 0.33 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2klb h ALA 17 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2klb h ALA 17 CO -0.47 -0.10 -0.02 0.37 0.00 0.00 0.00 179.25 179.03 2klb h GLN 18 N 0.58 0.31 0.13 0.00 4.15 -1.44 -1.22 115.11 117.61 2klb h GLN 18 Ca 0.41 -0.05 -0.25 0.00 0.77 0.00 0.00 58.65 59.53 2klb h GLN 18 Cb 0.55 -0.05 0.03 0.00 0.21 0.00 0.00 27.48 28.22 2klb h GLN 18 CO -0.34 0.36 -1.07 0.00 -1.93 0.00 0.00 178.83 175.85 2klb h ALA 19 N 1.68 -0.05 0.58 3.38 0.00 -1.03 -3.25 119.26 120.57 2klb h ALA 19 Ca 0.07 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 2klb h ALA 19 Cb 0.24 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2klb h ALA 19 CO 0.01 0.55 -0.30 0.82 0.00 0.00 0.00 179.25 180.32 2klb h ILE 20 N 0.02 0.38 -0.19 0.00 2.04 -0.56 -1.52 117.51 117.68 2klb h ILE 20 Ca -0.17 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.73 2klb h ILE 20 Cb 1.79 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2klb h ILE 20 CO 0.20 0.00 0.13 -0.29 0.00 0.00 0.00 178.15 178.20 2klb h ILE 21 N -0.81 0.95 0.11 -0.67 2.10 -1.40 -2.11 117.51 115.68 2klb h ILE 21 Ca -0.08 -0.03 -0.01 0.00 1.08 0.00 0.00 64.86 65.83 2klb h ILE 21 Cb 0.63 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 2klb h ILE 21 CO 0.11 0.01 -0.05 -1.13 -1.08 0.00 0.00 178.15 176.01 2klb h ASN 22 N 0.08 -0.13 -0.41 2.19 -0.73 -1.54 -3.22 115.58 111.81 2klb h ASN 22 Ca 0.09 -0.44 -0.03 0.00 1.87 0.00 0.00 56.30 57.79 2klb h ASN 22 Cb 0.25 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.86 2klb h ASN 22 CO -0.01 0.45 0.15 1.23 -0.37 0.00 0.00 177.43 178.88 2klb h GLY 23 N -0.79 0.67 0.66 1.57 0.00 -0.93 -3.05 103.07 101.19 2klb h GLY 23 Ca -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2klb h GLY 23 CO 0.03 0.36 -0.07 -2.22 0.00 0.00 0.00 176.54 174.64 2klb h ILE 24 N 0.52 1.01 -0.48 2.60 2.04 -1.55 -3.12 117.51 118.53 2klb h ILE 24 Ca 0.14 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.30 2klb h ILE 24 Cb 0.22 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2klb h ILE 24 CO -0.01 0.17 0.32 0.00 0.00 0.00 0.00 178.15 178.63 2klb h THR 25 N -0.53 1.09 -0.10 -0.27 1.03 -1.53 0.16 112.91 112.75 2klb h THR 25 Ca -0.02 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 66.18 2klb h THR 25 Cb 0.41 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 67.93 2klb h THR 25 CO 0.03 0.11 0.00 0.29 -0.01 0.00 0.00 175.52 175.94 2klb n LYS 26 N -4.47 1.35 0.00 0.00 5.02 -1.15 -4.16 118.16 114.75 2klb n LYS 26 Ca 0.05 -0.54 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 2klb n LYS 26 Cb 0.10 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2klb n LYS 26 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2klb n THR 27 N -0.20 0.00 0.00 -0.18 -1.04 -0.42 -5.04 114.28 107.40 2klb n THR 27 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2klb n THR 27 Cb 0.18 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 2klb n THR 27 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2klb n GLY 28 N 2.61 0.54 3.51 3.41 0.00 0.42 -4.82 105.19 110.86 2klb n GLY 28 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2klb n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2klb s VAL 29 N 0.00 1.16 0.69 1.61 -7.23 -1.23 -4.81 120.40 110.59 2klb s VAL 29 Ca 0.00 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 2klb s VAL 29 Cb 0.00 -2.68 0.01 0.00 0.56 0.00 0.00 36.38 34.27 2klb s VAL 29 CO 0.00 0.00 1.08 -0.83 -0.31 0.00 0.00 175.10 175.04 2klb s GLY 30 N -3.57 1.89 0.06 2.32 0.00 -1.26 -2.89 107.32 103.87 2klb s GLY 30 Ca 0.31 0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.39 2klb s GLY 30 CO 0.15 0.65 -0.01 0.14 0.00 0.00 0.00 173.10 174.03 2klb s VAL 31 N -2.70 4.02 -0.19 1.40 1.01 -1.25 -0.33 120.40 122.36 2klb s VAL 31 Ca 0.62 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 2klb s VAL 31 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2klb s VAL 31 CO 0.48 0.20 0.04 -1.81 0.00 0.00 0.00 175.10 174.01 2klb s ASP 32 N -2.07 5.34 -0.02 3.32 1.01 -0.70 -4.52 116.67 119.02 2klb s ASP 32 Ca 0.24 -0.02 -0.14 0.00 0.71 0.00 0.00 52.55 53.33 2klb s ASP 32 Cb -0.12 -1.91 -0.05 0.00 1.01 0.00 0.00 42.92 41.85 2klb s ASP 32 CO 0.16 0.14 0.39 0.68 0.21 0.00 0.00 175.17 176.75 2klb s VAL 33 N 0.58 5.08 -0.38 -1.27 -7.23 -1.26 -0.67 120.40 115.24 2klb s VAL 33 Ca 0.02 0.80 0.03 0.00 -1.81 0.00 0.00 61.98 61.02 2klb s VAL 33 Cb -0.13 -3.70 0.11 0.00 0.56 0.00 0.00 36.38 33.22 2klb s VAL 33 CO 0.02 0.56 0.12 -0.69 -0.31 0.00 0.00 175.10 174.79 2klb s VAL 34 N -0.90 1.95 -1.09 1.32 1.01 -0.28 -4.86 120.40 117.55 2klb s VAL 34 Ca 0.23 -2.36 -0.21 0.00 0.00 0.00 0.00 61.98 59.64 2klb s VAL 34 Cb -0.16 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 33.87 2klb s VAL 34 CO 0.12 -0.69 1.49 -1.81 0.00 0.00 0.00 175.10 174.21 2klb s ASP 35 N 0.76 6.64 0.08 3.32 1.11 -1.26 -3.34 116.67 123.98 2klb s ASP 35 Ca 0.13 -1.87 0.19 0.00 0.18 0.00 0.00 52.55 51.18 2klb s ASP 35 Cb -0.21 -2.54 -0.12 0.00 1.07 0.00 0.00 42.92 41.12 2klb s ASP 35 CO -0.09 -1.33 0.83 0.00 1.18 0.00 0.00 175.17 175.76 2klb n LEU 36 N 8.31 0.76 -1.92 1.23 -0.00 -1.25 -4.41 117.00 119.71 2klb n LEU 36 Ca 0.36 0.32 -0.09 0.00 -0.00 0.00 0.00 56.01 56.60 2klb n LEU 36 Cb 0.49 0.05 -0.13 0.00 -0.00 0.00 0.00 43.42 43.83 2klb n LEU 36 CO 0.67 0.05 1.44 0.61 -0.00 0.00 0.00 177.39 180.16 2klb n GLY 37 N 1.34 2.80 0.00 1.47 0.00 -1.25 -4.78 105.19 104.77 2klb n GLY 37 Ca -0.08 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 2.32 0.00 -2.30 4.61 0.00 -1.26 -4.42 120.51 119.46 2klb n ALA 38 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 2klb n ALA 38 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 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 -1.00 2.69 0.51 0.00 0.00 -1.26 -5.00 121.76 117.70 2klb s ALA 39 Ca 0.00 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.42 2klb s ALA 39 Cb 0.00 -4.14 0.05 0.00 0.00 0.00 0.00 23.12 19.03 2klb s ALA 39 CO 0.00 -3.10 0.64 0.14 0.00 0.00 0.00 175.76 173.44 2klb s VAL 40 N 6.67 2.40 0.06 0.00 -7.23 -1.26 -5.09 120.40 115.95 2klb s VAL 40 Ca 0.56 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2klb s VAL 40 Cb -0.12 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2klb s VAL 40 CO 0.24 0.00 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.41 2klb s ASP 41 N -4.48 0.45 0.39 4.85 2.15 -1.26 -5.05 116.67 113.72 2klb s ASP 41 Ca 0.55 -1.00 0.11 0.00 0.43 0.00 0.00 52.55 52.65 2klb s ASP 41 Cb -0.06 0.22 0.91 0.00 -0.30 0.00 0.00 42.92 43.69 2klb s ASP 41 CO 0.34 -0.62 1.92 0.25 -0.17 0.00 0.00 175.17 176.89 2klb h LEU 42 N 3.10 0.53 -0.82 -1.34 7.12 -2.01 -1.79 115.31 120.10 2klb h LEU 42 Ca -0.34 0.02 0.16 0.00 0.13 0.00 0.00 57.88 57.85 2klb h LEU 42 Cb 1.15 -0.09 -0.10 0.00 -0.53 0.00 0.00 40.66 41.09 2klb h LEU 42 CO 0.65 0.29 0.37 1.56 -0.13 0.00 0.00 178.44 181.17 2klb h GLN 43 N 0.57 0.47 0.00 1.25 4.20 -2.01 0.74 115.11 120.34 2klb h GLN 43 Ca 0.37 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.01 2klb h GLN 43 Cb 0.65 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2klb h GLN 43 CO -0.14 0.31 -0.20 0.93 -0.67 0.00 0.00 178.83 179.07 2klb h GLU 44 N 0.49 0.00 0.06 1.46 5.08 -1.75 -2.80 114.58 117.12 2klb h GLU 44 Ca 0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2klb h GLU 44 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2klb h GLU 44 CO -0.42 0.20 -0.03 1.25 -1.00 0.00 0.00 179.01 179.01 2klb h LEU 45 N 0.00 -0.07 -1.59 1.33 7.12 -0.89 -2.39 115.31 118.82 2klb h LEU 45 Ca -0.00 -0.44 -0.02 0.00 0.13 0.00 0.00 57.88 57.55 2klb h LEU 45 Cb 0.61 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.75 2klb h LEU 45 CO 0.03 0.42 0.07 0.08 -0.13 0.00 0.00 178.44 178.91 2klb h ARG 46 N -0.58 0.33 -0.11 1.25 0.11 -1.38 -1.40 114.38 112.61 2klb h ARG 46 Ca -0.01 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 2klb h ARG 46 Cb 0.50 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 2klb h ARG 46 CO 0.01 0.31 0.07 0.93 0.10 0.00 0.00 179.97 181.39 2klb h GLU 47 N 0.33 0.15 -0.97 0.08 4.39 -1.50 -2.98 114.58 114.09 2klb h GLU 47 Ca 0.08 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.86 2klb h GLU 47 Cb 0.12 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.66 2klb h GLU 47 CO -0.01 0.13 0.62 1.25 -1.16 0.00 0.00 179.01 179.84 2klb h LEU 48 N 0.12 0.93 -1.49 1.33 5.85 -0.73 -0.35 115.31 120.96 2klb h LEU 48 Ca 0.04 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2klb h LEU 48 Cb 0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2klb h LEU 48 CO -0.01 0.55 0.44 0.58 -0.34 0.00 0.00 178.44 179.66 2klb h VAL 49 N 1.03 0.95 0.00 1.05 2.07 -1.24 0.11 116.25 120.22 2klb h VAL 49 Ca 0.45 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2klb h VAL 49 Cb 0.35 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2klb h VAL 49 CO -0.20 0.11 -0.29 0.61 0.02 0.00 0.00 177.57 177.81 2klb n GLY 50 N -1.48 -1.39 1.07 2.17 0.00 -0.23 -3.53 105.19 101.80 2klb n GLY 50 Ca 0.11 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2klb n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klb n ARG 51 N -1.61 2.39 0.00 1.61 5.12 0.24 -4.62 116.66 119.79 2klb n ARG 51 Ca 0.06 -2.18 0.06 0.00 -1.93 0.00 0.00 57.85 53.86 2klb n ARG 51 Cb 0.35 -1.48 0.37 0.00 -1.16 0.00 0.00 32.46 30.55 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 1.24 -2.53 0.00 1.35 -1.87 -3.42 112.91 107.68 2klb h THR 53 Ca 0.00 -0.84 -0.09 0.00 -0.55 0.00 0.00 66.41 64.93 2klb h THR 53 Cb 0.00 0.67 -0.24 0.00 -1.73 0.00 0.00 68.15 66.85 2klb h THR 53 CO 0.00 0.32 -0.17 -0.83 -0.25 0.00 0.00 175.52 174.59 2klb s GLY 54 N -3.26 -0.38 -0.09 5.82 0.00 -1.16 -2.06 107.32 106.19 2klb s GLY 54 Ca -0.13 1.51 -0.30 0.00 0.00 0.00 0.00 44.72 45.80 2klb s GLY 54 CO 0.81 1.42 0.72 0.48 0.00 0.00 0.00 173.10 176.52 2klb s LEU 55 N 0.67 -0.65 -0.18 0.66 2.34 -0.51 -2.12 118.68 118.89 2klb s LEU 55 Ca -0.03 0.80 -0.02 0.00 0.06 0.00 0.00 54.13 54.93 2klb s LEU 55 Cb -0.05 2.47 -0.01 0.00 -0.56 0.00 0.00 46.19 48.04 2klb s LEU 55 CO -0.05 -0.53 -0.07 0.54 -1.06 0.00 0.00 176.35 175.18 2klb s VAL 56 N -0.94 3.34 -0.03 1.48 0.11 0.33 0.08 120.40 124.77 2klb s VAL 56 Ca -0.08 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 2klb s VAL 56 Cb -0.01 -2.47 -0.00 0.00 -1.53 0.00 0.00 36.38 32.37 2klb s VAL 56 CO 0.08 0.47 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.56 2klb s ILE 57 N 0.87 1.13 0.00 7.04 1.01 -0.11 -1.34 121.20 129.81 2klb s ILE 57 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2klb s ILE 57 Cb -0.15 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.35 2klb s ILE 57 CO 0.01 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2klb n GLY 58 N 3.13 1.31 3.80 6.18 0.00 -1.26 -2.60 105.19 115.76 2klb n GLY 58 Ca -0.17 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 2klb n GLY 58 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2klb s MET 59 N 0.58 3.88 0.45 1.61 1.00 -0.81 -4.87 119.30 121.15 2klb s MET 59 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 55.69 55.46 2klb s MET 59 Cb 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 34.83 31.42 2klb s MET 59 CO 0.00 0.52 0.96 -1.54 0.00 0.00 0.00 175.02 174.97 2klb s SER 60 N -0.35 6.84 0.37 3.03 1.04 -1.26 -4.73 113.70 118.63 2klb s SER 60 Ca 0.15 1.69 -0.04 0.00 0.48 0.00 0.00 55.95 58.22 2klb s SER 60 Cb -0.13 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2klb s SER 60 CO 0.04 -0.43 0.64 -2.16 0.98 0.00 0.00 173.24 172.30 2klb s PRO 61 N -3.34 3.58 0.50 4.02 0.04 -1.26 -4.50 135.00 134.04 2klb s PRO 61 Ca 0.62 0.01 0.26 0.00 0.04 0.00 0.00 61.00 61.93 2klb s PRO 61 Cb -0.10 -2.55 1.34 0.00 0.04 0.00 0.00 34.50 33.23 2klb s PRO 61 CO 0.17 0.06 1.90 0.00 0.04 0.00 0.00 177.00 179.16 2klb h ALA 62 N 0.98 2.59 -0.27 8.56 0.00 -1.89 0.29 119.26 129.52 2klb h ALA 62 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2klb h ALA 62 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2klb h ALA 62 CO 0.63 -0.83 0.08 0.00 0.00 0.00 0.00 179.25 179.13 2klb h ALA 63 N 1.60 1.64 0.00 0.00 0.00 -2.02 -2.54 119.26 117.95 2klb h ALA 63 Ca 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2klb h ALA 63 Cb 1.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2klb h ALA 63 CO -0.06 0.28 -1.04 0.43 0.00 0.00 0.00 179.25 178.86 2klb n SER 64 N -4.40 0.65 -0.31 0.00 7.64 0.87 -4.51 113.62 113.56 2klb n SER 64 Ca 0.01 -0.42 0.13 0.00 1.01 0.00 0.00 58.87 59.60 2klb n SER 64 Cb 0.15 0.89 0.30 0.00 -1.01 0.00 0.00 64.21 64.55 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 2.68 1.44 -0.44 -0.43 0.00 -0.69 -1.00 119.26 120.82 2klb h ALA 65 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2klb h ALA 65 Cb 0.66 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2klb h ALA 65 CO 0.00 -0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.11 2klb h ALA 66 N 1.69 0.52 -0.23 0.00 0.00 -1.79 -0.57 119.26 118.87 2klb h ALA 66 Ca 0.55 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.47 2klb h ALA 66 Cb 1.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2klb h ALA 66 CO -0.50 -0.24 -0.04 0.77 0.00 0.00 0.00 179.25 179.24 2klb h SER 67 N 0.32 0.44 -0.33 0.00 0.02 -1.54 -3.20 113.55 109.26 2klb h SER 67 Ca 0.20 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2klb h SER 67 Cb 0.20 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2klb h SER 67 CO -0.21 0.69 0.19 0.40 -1.14 0.00 0.00 176.83 176.76 2klb h ILE 68 N 0.18 1.04 -0.66 3.27 1.08 -0.98 -1.64 117.51 119.81 2klb h ILE 68 Ca 0.06 -0.14 0.06 0.00 -0.39 0.00 0.00 64.86 64.45 2klb h ILE 68 Cb 0.49 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 2klb h ILE 68 CO 0.02 0.07 0.43 1.56 -0.69 0.00 0.00 178.15 179.55 2klb h GLN 69 N 0.40 0.66 -0.05 2.37 4.20 -1.17 0.42 115.11 121.94 2klb h GLN 69 Ca 0.13 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.64 2klb h GLN 69 Cb 0.00 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.64 2klb h GLN 69 CO -0.06 0.44 -0.62 0.78 -0.67 0.00 0.00 178.83 178.70 2klb h GLY 70 N 0.68 0.55 2.00 3.46 0.00 -1.44 -3.32 103.07 105.00 2klb h GLY 70 Ca 0.28 -0.88 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 2klb h GLY 70 CO -0.09 0.78 -0.53 0.00 0.00 0.00 0.00 176.54 176.71 2klb h ALA 71 N 0.40 0.74 -0.93 3.60 0.00 -0.92 -3.32 119.26 118.82 2klb h ALA 71 Ca -0.06 -0.48 0.17 0.00 0.00 0.00 0.00 54.91 54.54 2klb h ALA 71 Cb 1.29 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2klb h ALA 71 CO 0.12 0.66 0.60 1.25 0.00 0.00 0.00 179.25 181.88 2klb h LEU 72 N 0.00 0.63 -0.63 0.00 5.85 -0.26 -0.19 115.31 120.72 2klb h LEU 72 Ca -0.01 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2klb h LEU 72 Cb 1.27 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2klb h LEU 72 CO 0.07 0.28 0.40 -1.28 -0.34 0.00 0.00 178.44 177.56 2klb h SER 73 N 0.65 0.66 -0.11 1.25 0.87 -1.73 0.82 113.55 115.95 2klb h SER 73 Ca 0.49 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.92 2klb h SER 73 Cb 0.88 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2klb h SER 73 CO -0.24 0.47 -0.33 0.74 -0.53 0.00 0.00 176.83 176.94 2klb h THR 74 N 0.79 1.29 0.85 2.23 2.02 -1.31 -2.48 112.91 116.31 2klb h THR 74 Ca 0.24 -1.45 -0.04 0.00 0.77 0.00 0.00 66.41 65.93 2klb h THR 74 Cb -0.02 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2klb h THR 74 CO -0.08 0.46 -0.41 0.40 0.37 0.00 0.00 175.52 176.26 2klb h ILE 75 N 0.51 0.08 -0.26 3.11 2.04 -0.59 -2.22 117.51 120.19 2klb h ILE 75 Ca 0.06 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2klb h ILE 75 Cb 0.82 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2klb h ILE 75 CO 0.07 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 178.34 2klb h LEU 76 N -1.24 0.02 -0.37 1.44 3.38 -0.89 0.14 115.31 117.78 2klb h LEU 76 Ca -0.12 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2klb h LEU 76 Cb 0.88 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2klb h LEU 76 CO 0.19 0.01 -0.35 1.23 0.09 0.00 0.00 178.44 179.62 2klb h GLY 77 N 0.02 0.00 0.02 0.83 0.00 -1.38 -3.38 103.07 99.18 2klb h GLY 77 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 47.03 2klb h GLY 77 CO -0.00 0.00 -2.31 -1.14 0.00 0.00 0.00 176.54 173.08 2klb n SER 78 N -3.27 1.95 -4.57 0.19 3.41 -0.14 -4.75 113.62 106.45 2klb n SER 78 Ca 0.02 0.29 -0.39 0.00 -0.26 0.00 0.00 58.87 58.52 2klb n SER 78 Cb 0.61 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 2klb n SER 78 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2klb s VAL 79 N -2.49 3.89 0.33 -3.33 -7.23 0.32 -4.92 120.40 106.97 2klb s VAL 79 Ca -0.36 -1.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.76 2klb s VAL 79 Cb 0.12 -4.93 -0.02 0.00 0.56 0.00 0.00 36.38 32.11 2klb s VAL 79 CO 0.53 -1.77 0.16 -0.46 -0.31 0.00 0.00 175.10 173.25 2klb n ASN 80 N 9.82 0.69 0.00 4.85 2.04 -1.26 -4.83 115.26 126.57 2klb n ASN 80 Ca 0.40 -2.85 0.00 0.00 -0.44 0.00 0.00 54.58 51.69 2klb n ASN 80 Cb 0.49 1.03 0.00 0.00 -2.53 0.00 0.00 39.78 38.76 2klb n ASN 80 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2klb n GLU 81 N -0.71 0.00 -0.76 -3.83 2.13 -1.26 -2.69 120.64 113.51 2klb n GLU 81 Ca -0.02 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.76 2klb n GLU 81 Cb 0.52 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.19 2klb n GLU 81 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2klb n LYS 82 N 0.00 0.00 -0.81 5.31 2.85 -1.26 -4.97 118.16 119.28 2klb n LYS 82 Ca 0.00 -0.54 -0.31 0.00 -1.05 0.00 0.00 58.31 56.41 2klb n LYS 82 Cb 0.00 0.47 0.16 0.00 -0.65 0.00 0.00 35.03 35.01 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 1.09 -0.77 -1.58 1.11 -1.10 -4.35 119.66 114.06 2klb s GLN 83 Ca 0.00 1.39 -0.21 0.00 0.01 0.00 0.00 55.36 56.56 2klb s GLN 83 Cb 0.00 -1.75 0.10 0.00 -1.01 0.00 0.00 33.01 30.35 2klb s GLN 83 CO 0.00 -2.53 1.02 0.00 0.01 0.00 0.00 175.29 173.78 2klb s ALA 84 N -2.69 3.24 -0.71 6.09 0.00 -0.88 -3.88 121.76 122.93 2klb s ALA 84 Ca 0.66 -2.28 -0.12 0.00 0.00 0.00 0.00 51.96 50.22 2klb s ALA 84 Cb -0.22 -3.92 0.18 0.00 0.00 0.00 0.00 23.12 19.17 2klb s ALA 84 CO 0.58 -2.84 0.62 0.14 0.00 0.00 0.00 175.76 174.27 2klb s VAL 85 N 3.37 5.10 -1.39 0.00 -7.23 -1.25 -1.42 120.40 117.57 2klb s VAL 85 Ca 0.26 -2.30 -0.15 0.00 -1.81 0.00 0.00 61.98 57.97 2klb s VAL 85 Cb -0.12 -4.21 0.04 0.00 0.56 0.00 0.00 36.38 32.65 2klb s VAL 85 CO 0.01 -0.95 2.09 0.61 -0.31 0.00 0.00 175.10 176.55 2klb n GLY 86 N 4.22 3.84 3.77 2.32 0.00 0.11 -4.73 105.19 114.73 2klb n GLY 86 Ca 0.06 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 2klb n GLY 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2klb s ILE 87 N 3.62 5.30 0.27 -0.61 2.07 -1.26 -0.94 121.20 129.66 2klb s ILE 87 Ca 0.49 0.52 -0.05 0.00 -1.41 0.00 0.00 60.65 60.21 2klb s ILE 87 Cb 0.11 -3.60 -0.01 0.00 0.13 0.00 0.00 42.46 39.09 2klb s ILE 87 CO -0.04 0.47 0.38 0.72 -1.91 0.00 0.00 174.94 174.56 2klb s PHE 88 N -0.09 0.89 -0.64 3.50 -0.71 -1.07 -4.47 117.98 115.39 2klb s PHE 88 Ca 0.17 -1.14 -0.26 0.00 -1.04 0.00 0.00 56.93 54.66 2klb s PHE 88 Cb -0.13 -0.15 -0.07 0.00 -1.21 0.00 0.00 43.02 41.46 2klb s PHE 88 CO 0.05 -0.94 2.20 -1.21 -1.34 0.00 0.00 175.22 173.98 2klb s GLU 89 N -3.69 2.19 -0.38 1.99 2.02 -0.86 -4.28 118.70 115.69 2klb s GLU 89 Ca 0.31 0.77 0.01 0.00 0.02 0.00 0.00 54.97 56.08 2klb s GLU 89 Cb 0.02 -4.64 0.12 0.00 0.10 0.00 0.00 34.13 29.73 2klb s GLU 89 CO 0.15 -3.39 0.18 0.99 0.02 0.00 0.00 175.26 173.20 2klb s THR 90 N 11.63 1.08 0.00 3.63 2.01 -1.26 -4.87 115.64 127.86 2klb s THR 90 Ca 0.85 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.83 2klb s THR 90 Cb -0.14 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.59 2klb s THR 90 CO 0.17 -0.81 0.00 0.61 -0.69 0.00 0.00 174.62 173.90 2klb n GLY 91 N 4.12 3.33 0.00 4.40 0.00 -1.26 -1.92 105.19 113.86 2klb n GLY 91 Ca 0.05 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.93 3.00 3.29 -0.02 0.00 -1.13 -4.55 105.19 103.84 2klb n GLY 92 Ca 0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 5.00 3.74 3.45 -0.02 0.00 -1.26 -4.92 105.19 111.18 2klb n GLY 93 Ca 0.00 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.87 2klb n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2klb n ASP 94 N 5.29 -1.37 -0.71 1.61 -0.08 -1.26 -5.13 116.55 114.89 2klb n ASP 94 Ca 0.39 -2.96 0.04 0.00 -1.51 0.00 0.00 54.79 50.75 2klb n ASP 94 Cb 0.41 2.58 -0.02 0.00 2.34 0.00 0.00 41.12 46.43 2klb n ASP 94 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2klb n ASP 95 N -1.61 -3.84 -0.07 1.67 2.03 -1.26 -4.81 116.55 108.66 2klb n ASP 95 Ca 0.01 0.79 -0.11 0.00 0.52 0.00 0.00 54.79 56.00 2klb n ASP 95 Cb 0.60 -2.09 -0.04 0.00 -0.72 0.00 0.00 41.12 38.87 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 -2.54 0.42 0.00 -0.67 1.02 -1.26 -4.63 120.64 112.97 2klb n GLU 96 Ca -0.02 0.17 0.07 0.00 -0.02 0.00 0.00 57.16 57.36 2klb n GLU 96 Cb 0.27 -1.23 0.38 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 -4.16 0.34 -0.24 3.49 -0.04 -1.26 -3.74 135.00 129.38 2klb n PRO 97 Ca -0.19 0.06 0.05 0.00 -0.04 0.00 0.00 63.50 63.37 2klb n PRO 97 Cb 0.51 -1.50 0.17 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 0.00 0.62 0.44 0.52 6.09 -1.90 -2.40 117.51 120.89 2klb h ILE 98 Ca 0.00 -0.13 -0.01 0.00 -1.37 0.00 0.00 64.86 63.35 2klb h ILE 98 Cb 0.04 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 37.54 2klb h ILE 98 CO 0.00 0.07 -0.30 0.44 -3.07 0.00 0.00 178.15 175.29 2klb h ASP 99 N 0.37 -0.75 -0.54 2.19 5.19 -1.92 -1.15 116.42 119.80 2klb h ASP 99 Ca 0.40 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.97 2klb h ASP 99 Cb 0.62 0.23 -0.09 0.00 0.18 0.00 0.00 39.33 40.27 2klb h ASP 99 CO -0.43 -0.46 -0.05 -0.65 -3.12 0.00 0.00 179.24 174.54 2klb h PRO 100 N -0.72 0.07 0.01 3.56 0.11 -1.80 -2.54 132.00 130.69 2klb h PRO 100 Ca -0.05 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.08 2klb h PRO 100 Cb 0.60 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 2klb h PRO 100 CO 0.03 0.05 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.67 2klb h LEU 101 N 0.07 -0.38 -0.19 2.35 4.07 -1.18 0.15 115.31 120.20 2klb h LEU 101 Ca 0.27 0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.34 2klb h LEU 101 Cb 0.42 0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.27 2klb h LEU 101 CO -0.49 -0.19 -0.17 -0.07 -1.08 0.00 0.00 178.44 176.44 2klb h LEU 102 N -0.23 -0.55 -0.98 1.67 3.38 -1.02 -1.34 115.31 116.25 2klb h LEU 102 Ca 0.04 0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2klb h LEU 102 Cb 0.28 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2klb h LEU 102 CO -0.13 -0.22 -0.23 -1.28 0.09 0.00 0.00 178.44 176.68 2klb h SER 103 N -0.19 0.47 0.92 -0.43 0.87 -1.31 -1.64 113.55 112.25 2klb h SER 103 Ca 0.12 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2klb h SER 103 Cb 0.36 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2klb h SER 103 CO -0.30 0.70 -0.45 0.50 -0.53 0.00 0.00 176.83 176.75 2klb h LYS 104 N 0.42 -1.20 -0.07 2.24 1.63 -0.03 -1.56 116.57 118.01 2klb h LYS 104 Ca 0.07 0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 2klb h LYS 104 Cb 0.63 0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 2klb h LYS 104 CO 0.04 -0.80 -0.14 0.74 -3.45 0.00 0.00 179.45 175.85 2klb h PHE 105 N -1.24 0.10 -0.44 1.91 0.04 -1.30 -1.33 116.94 114.69 2klb h PHE 105 Ca -0.13 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.65 2klb h PHE 105 Cb 0.96 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 2klb h PHE 105 CO 0.01 0.24 0.27 -0.09 -0.60 0.00 0.00 178.31 178.15 2klb h ARG 106 N 0.10 0.54 -0.08 1.51 1.12 -1.17 0.89 114.38 117.29 2klb h ARG 106 Ca 0.02 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.83 2klb h ARG 106 Cb 0.31 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.15 2klb h ARG 106 CO 0.02 0.36 -0.07 -0.97 -3.11 0.00 0.00 179.97 176.19 2klb h ASN 107 N 0.56 0.21 -0.27 -3.80 -0.00 -0.75 -3.28 115.58 108.24 2klb h ASN 107 Ca 0.17 -0.47 0.04 0.00 -0.00 0.00 0.00 56.30 56.03 2klb h ASN 107 Cb -0.03 -0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 38.19 2klb h ASN 107 CO -0.06 0.64 0.05 -0.07 -0.00 0.00 0.00 177.43 177.99 2klb h LEU 108 N -0.22 0.00 -2.39 0.34 3.38 -1.15 -3.48 115.31 111.80 2klb h LEU 108 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2klb h LEU 108 Cb 0.57 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2klb h LEU 108 CO 0.02 0.03 -0.12 0.61 0.09 0.00 0.00 178.44 179.08 2klb n GLY 109 N -1.20 -1.25 2.92 0.83 0.00 0.30 -5.05 105.19 101.74 2klb n GLY 109 Ca -0.01 0.62 -0.18 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.52 0.00 -4.56 0.99 4.32 -1.26 -4.98 117.00 109.99 2klb n LEU 110 Ca 0.01 -1.53 -0.38 0.00 -0.02 0.00 0.00 56.01 54.09 2klb n LEU 110 Cb 0.50 -0.52 -0.03 0.00 -1.62 0.00 0.00 43.42 41.75 2klb n LEU 110 CO 0.52 -0.91 1.83 -0.89 -1.22 0.00 0.00 177.39 176.73 2klb s THR 111 N -2.38 3.16 -0.11 -5.08 2.01 -1.25 -4.95 115.64 107.03 2klb s THR 111 Ca 0.51 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 62.58 2klb s THR 111 Cb -0.03 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2klb s THR 111 CO 0.34 -0.33 0.03 0.42 -0.69 0.00 0.00 174.62 174.39 2klb s THR 112 N 10.40 4.52 -0.12 -0.82 -4.23 -1.26 -3.94 115.64 120.18 2klb s THR 112 Ca 0.87 -0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 2klb s THR 112 Cb -0.18 -2.94 -0.06 0.00 1.34 0.00 0.00 72.50 70.67 2klb s THR 112 CO 0.26 0.57 0.07 0.00 -0.54 0.00 0.00 174.62 174.98 2klb h ALA 113 N 5.53 0.02 -0.61 3.99 0.00 -1.93 -3.47 119.26 122.79 2klb h ALA 113 Ca -0.47 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.18 2klb h ALA 113 Cb 1.19 0.19 -0.18 0.00 0.00 0.00 0.00 17.79 18.99 2klb h ALA 113 CO 0.58 0.19 -0.28 0.12 0.00 0.00 0.00 179.25 179.85 2klb s PHE 114 N -1.88 -1.06 0.04 0.00 5.36 -1.26 -5.06 117.98 114.12 2klb s PHE 114 Ca -0.08 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.04 2klb s PHE 114 Cb 0.01 0.20 -0.26 0.00 -0.34 0.00 0.00 43.02 42.62 2klb s PHE 114 CO 0.19 -0.72 1.00 -1.00 -1.46 0.00 0.00 175.22 173.22 2klb h PRO 115 N 6.19 0.17 -5.55 10.12 0.13 -1.92 -3.46 132.00 137.68 2klb h PRO 115 Ca 0.01 -0.28 -0.61 0.00 -0.87 0.00 0.00 66.00 64.24 2klb h PRO 115 Cb 1.21 0.11 -0.12 0.00 0.13 0.00 0.00 31.00 32.33 2klb h PRO 115 CO 0.01 1.04 0.20 0.00 -0.23 0.00 0.00 178.00 179.02 2klb s ALA 116 N -2.65 3.55 0.00 -0.56 0.00 -1.26 -2.03 121.76 118.82 2klb s ALA 116 Ca -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2klb s ALA 116 Cb 0.08 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2klb s ALA 116 CO 0.85 -1.02 0.45 1.51 0.00 0.00 0.00 175.76 177.54 2klb n ILE 117 N 5.37 0.09 -2.51 0.00 3.06 -1.26 -5.04 119.36 119.06 2klb n ILE 117 Ca -0.00 -0.10 -0.04 0.00 -2.50 0.00 0.00 62.75 60.11 2klb n ILE 117 Cb 0.49 1.15 0.02 0.00 0.54 0.00 0.00 39.64 41.83 2klb n ILE 117 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2klb n ARG 118 N -0.04 -1.06 -3.62 9.51 1.74 -1.26 -5.02 116.66 116.90 2klb n ARG 118 Ca 0.00 0.86 -0.40 0.00 -0.77 0.00 0.00 57.85 57.54 2klb n ARG 118 Cb 0.42 -4.14 -0.11 0.00 -1.02 0.00 0.00 32.46 27.61 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 -3.11 4.55 -0.14 0.55 -1.09 -1.26 -4.94 121.20 115.76 2klb s ILE 119 Ca 0.13 -0.75 0.20 0.00 -2.23 0.00 0.00 60.65 57.99 2klb s ILE 119 Cb -0.02 -3.48 -0.16 0.00 -1.58 0.00 0.00 42.46 37.23 2klb s ILE 119 CO 0.46 -0.15 0.73 2.29 -1.23 0.00 0.00 174.94 177.03 2klb n LYS 120 N 4.99 0.63 0.12 2.79 2.85 -1.26 -4.92 118.16 123.35 2klb n LYS 120 Ca -0.12 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 2klb n LYS 120 Cb 0.47 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 2klb n LYS 120 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2klb n GLN 121 N -2.66 0.00 -3.89 -1.58 -0.06 -1.26 -4.45 117.38 103.48 2klb n GLN 121 Ca -0.08 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.57 2klb n GLN 121 Cb 0.72 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.80 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 -1.50 4.70 0.63 1.69 -4.23 -1.26 -2.86 115.64 112.81 2klb s THR 122 Ca 0.00 -0.05 -0.18 0.00 -1.18 0.00 0.00 61.69 60.28 2klb s THR 122 Cb 0.00 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.65 2klb s THR 122 CO 0.00 0.40 1.01 -2.65 -0.54 0.00 0.00 174.62 172.83 2klb n PRO 123 N 4.15 0.86 -3.63 3.99 -0.02 -1.26 -4.97 135.00 134.13 2klb n PRO 123 Ca -0.16 0.34 -0.20 0.00 -2.02 0.00 0.00 63.50 61.46 2klb n PRO 123 Cb 0.52 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 2klb n PRO 123 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2klb n THR 124 N -1.88 0.00 -0.25 3.45 -2.24 -1.26 -4.98 114.28 107.12 2klb n THR 124 Ca 0.14 -1.51 0.03 0.00 -2.27 0.00 0.00 64.05 60.44 2klb n THR 124 Cb 0.48 0.25 0.13 0.00 -2.10 0.00 0.00 70.33 69.09 2klb n THR 124 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2klb h GLU 125 N 0.00 0.07 -0.00 -0.78 5.08 -2.02 0.30 114.58 117.23 2klb h GLU 125 Ca -0.26 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2klb h GLU 125 Cb 0.81 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2klb h GLU 125 CO 0.44 0.05 0.00 -0.91 -1.00 0.00 0.00 179.01 177.59 2klb h ASN 126 N 0.07 0.00 -0.48 1.42 2.35 -2.00 -1.35 115.58 115.61 2klb h ASN 126 Ca 0.38 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.08 2klb h ASN 126 Cb 0.64 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 2klb h ASN 126 CO -0.67 0.00 0.12 0.74 -1.65 0.00 0.00 177.43 175.97 2klb h THR 127 N 0.00 1.23 -0.18 2.81 2.02 -1.31 0.24 112.91 117.72 2klb h THR 127 Ca 0.00 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 2klb h THR 127 Cb 0.01 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2klb h THR 127 CO -0.00 0.31 -0.01 1.88 0.37 0.00 0.00 175.52 178.07 2klb h TYR 128 N 0.79 0.34 -0.82 3.16 -1.99 -1.28 -1.52 116.97 115.66 2klb h TYR 128 Ca 0.17 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 2klb h TYR 128 Cb 0.31 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 38.91 2klb h TYR 128 CO 0.02 0.53 0.51 -0.22 -0.00 0.00 0.00 178.16 178.99 2klb h LYS 129 N 0.06 1.11 0.33 4.88 3.64 -1.43 -2.05 116.57 123.11 2klb h LYS 129 Ca 0.05 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2klb h LYS 129 Cb 0.40 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2klb h LYS 129 CO 0.01 0.77 -0.23 1.25 -2.27 0.00 0.00 179.45 178.98 2klb h LEU 130 N 1.13 -0.59 -0.42 5.20 6.46 -0.87 0.77 115.31 126.99 2klb h LEU 130 Ca 0.30 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 58.19 2klb h LEU 130 Cb -0.06 0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 39.97 2klb h LEU 130 CO -0.06 -0.36 -0.19 0.00 -0.62 0.00 0.00 178.44 177.21 2klb h GLU 132 N -0.11 -0.43 0.38 0.00 4.81 -1.29 -1.97 114.58 115.98 2klb h GLU 132 Ca 0.20 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2klb h GLU 132 Cb 0.42 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2klb h GLU 132 CO -0.49 -0.10 -0.25 1.49 -0.73 0.00 0.00 179.01 178.93 2klb h GLU 133 N -0.80 -0.59 -0.04 1.92 4.81 -0.68 0.18 114.58 119.38 2klb h GLU 133 Ca -0.05 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2klb h GLU 133 Cb 0.52 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2klb h GLU 133 CO 0.07 -0.40 0.02 0.00 -0.73 0.00 0.00 179.01 177.98 2klb h ALA 134 N -0.04 0.05 -0.29 2.92 0.00 -0.84 -1.04 119.26 120.01 2klb h ALA 134 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2klb h ALA 134 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2klb h ALA 134 CO 0.03 -0.42 0.17 0.78 0.00 0.00 0.00 179.25 179.81 2klb h GLY 135 N -0.01 0.43 0.83 0.00 0.00 -1.31 -0.89 103.07 102.12 2klb h GLY 135 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2klb h GLY 135 CO -0.00 0.18 -0.05 -0.84 0.00 0.00 0.00 176.54 175.83 2klb h THR 136 N 0.37 1.00 -0.69 4.70 2.02 -0.92 0.94 112.91 120.32 2klb h THR 136 Ca 0.11 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2klb h THR 136 Cb 0.03 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2klb h THR 136 CO -0.02 0.09 0.41 -0.78 0.37 0.00 0.00 175.52 175.59 2klb h ASP 137 N -0.30 0.84 -0.62 4.18 3.58 -1.17 0.27 116.42 123.20 2klb h ASP 137 Ca -0.01 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 2klb h ASP 137 Cb 0.25 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 2klb h ASP 137 CO 0.02 0.67 0.14 0.25 -2.88 0.00 0.00 179.24 177.44 2klb h LEU 138 N 0.95 0.95 -0.72 2.28 5.85 -1.14 -2.52 115.31 120.96 2klb h LEU 138 Ca 0.25 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2klb h LEU 138 Cb -0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2klb h LEU 138 CO -0.04 0.95 0.47 1.23 -0.34 0.00 0.00 178.44 180.70 2klb h GLY 139 N 0.92 1.03 1.09 3.75 0.00 -0.11 -1.76 103.07 107.99 2klb h GLY 139 Ca 0.19 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2klb h GLY 139 CO 0.00 0.39 0.60 1.46 0.00 0.00 0.00 176.54 178.99 2klb h GLN 140 N 0.98 1.22 -0.06 4.80 4.20 -0.83 -1.92 115.11 123.50 2klb h GLN 140 Ca 0.26 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2klb h GLN 140 Cb -0.09 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.41 2klb h GLN 140 CO -0.06 0.81 0.03 2.35 -0.67 0.00 0.00 178.83 181.30 2klb h TRP 141 N 1.25 0.06 -0.27 2.96 7.01 -0.98 -0.41 115.95 125.57 2klb h TRP 141 Ca 0.34 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.36 2klb h TRP 141 Cb -0.13 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2klb h TRP 141 CO 0.00 0.04 0.12 0.28 -2.79 0.00 0.00 178.44 176.09 2klb h VAL 142 N 0.07 0.97 -0.22 2.65 2.07 -0.95 -1.33 116.25 119.50 2klb h VAL 142 Ca 0.02 -0.09 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 2klb h VAL 142 Cb -0.00 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2klb h VAL 142 CO -0.01 0.05 -0.52 0.00 0.02 0.00 0.00 177.57 177.11 2klb h THR 143 N 0.26 1.30 -0.24 2.57 1.03 -1.33 -3.18 112.91 113.33 2klb h THR 143 Ca 0.12 -1.73 -0.05 0.00 -0.01 0.00 0.00 66.41 64.74 2klb h THR 143 Cb 0.05 1.82 -0.01 0.00 -1.07 0.00 0.00 68.15 68.94 2klb h THR 143 CO -0.09 0.55 -0.07 -0.09 -0.01 0.00 0.00 175.52 175.81 2klb h ARG 144 N 0.46 0.37 -0.51 0.00 2.43 -0.98 -1.63 114.38 114.52 2klb h ARG 144 Ca -0.00 -0.08 0.15 0.00 -0.81 0.00 0.00 59.98 59.23 2klb h ARG 144 Cb 1.13 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2klb h ARG 144 CO 0.11 0.45 0.48 0.22 -1.51 0.00 0.00 179.97 179.73 2klb h ASP 145 N 0.35 0.00 0.00 -3.80 3.58 -1.22 -3.20 116.42 112.14 2klb h ASP 145 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2klb h ASP 145 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2klb h ASP 145 CO 0.02 0.00 -0.56 0.54 -2.88 0.00 0.00 179.24 176.36 2klb n ARG 146 N -3.86 0.32 0.00 0.28 1.74 -0.68 -5.06 116.66 109.41 2klb n ARG 146 Ca 0.10 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2klb n ARG 146 Cb 0.69 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 2klb n ARG 146 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2klb n LEU 147 N -3.74 0.00 -0.43 0.55 0.00 -0.82 -5.16 117.00 107.41 2klb n LEU 147 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.93 2klb n LEU 147 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.71 2klb n LEU 147 CO 0.12 0.00 -0.13 -0.62 0.00 0.00 0.00 177.39 176.76 2klb n GLU 148 N -0.70 -1.15 -0.01 1.96 1.02 -1.15 -4.86 120.64 115.75 2klb n GLU 148 Ca 0.00 0.88 0.07 0.00 -0.02 0.00 0.00 57.16 58.09 2klb n GLU 148 Cb 0.00 -1.07 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2klb n HIS 149 N -1.54 0.00 -4.37 -0.32 -0.00 -1.26 -4.96 115.22 102.77 2klb n HIS 149 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 2klb n HIS 149 Cb 0.09 -0.27 -0.12 0.00 -0.00 0.00 0.00 29.99 29.69 2klb n HIS 149 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2klb s HIS 150 N -2.89 3.05 -0.31 1.57 3.76 -1.26 -5.08 115.29 114.13 2klb s HIS 150 Ca -0.03 -0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 54.63 2klb s HIS 150 Cb 0.10 -1.95 0.10 0.00 1.11 0.00 0.00 32.58 31.93 2klb s HIS 150 CO 0.60 0.02 0.12 -1.01 -0.85 0.00 0.00 174.74 173.62 2klb s HIS 151 N 0.27 1.21 0.25 1.40 0.09 -1.26 -5.06 115.29 112.19 2klb s HIS 151 Ca -0.02 -1.46 0.00 0.00 -0.00 0.00 0.00 55.06 53.58 2klb s HIS 151 Cb -0.14 -1.42 0.00 0.00 -0.00 0.00 0.00 32.58 31.02 2klb s HIS 151 CO 0.03 -0.86 0.00 0.72 -0.00 0.00 0.00 174.74 174.63 2klb n HIS 152 N 4.93 -2.38 -3.73 1.40 8.25 -1.26 -4.95 115.22 117.47 2klb n HIS 152 Ca -0.03 1.21 -0.27 0.00 -0.26 0.00 0.00 57.72 58.37 2klb n HIS 152 Cb 0.42 -2.16 -0.03 0.00 1.12 0.00 0.00 29.99 29.33 2klb n HIS 152 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2klb s HIS 153 N -2.18 3.48 0.00 4.41 3.76 -1.26 -5.11 115.29 118.40 2klb s HIS 153 Ca 0.00 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.21 2klb s HIS 153 Cb 0.00 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.87 2klb s HIS 153 CO 0.00 0.40 0.00 -2.39 -0.85 0.00 0.00 174.74 171.90