#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 0.00-13.54 -2.71 -1.33 -0.00 -1.26 -1.92 119.36 98.61 2klb n ILE 2 Ca 0.00 3.20 -0.42 0.00 -0.00 0.00 0.00 62.75 65.53 2klb n ILE 2 Cb 0.00 -6.11 -0.03 0.00 -0.00 0.00 0.00 39.64 33.50 2klb n ILE 2 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2klb s GLY 3 N -0.60 1.47 -0.15 7.39 0.00 -0.98 -2.15 107.32 112.30 2klb s GLY 3 Ca 0.00 -2.32 -0.29 0.00 0.00 0.00 0.00 44.72 42.12 2klb s GLY 3 CO 0.00 2.39 0.98 0.14 0.00 0.00 0.00 173.10 176.61 2klb s VAL 4 N 4.17 4.77 -0.09 1.40 1.01 0.75 -0.33 120.40 132.09 2klb s VAL 4 Ca 0.38 1.96 0.03 0.00 0.00 0.00 0.00 61.98 64.35 2klb s VAL 4 Cb -0.04 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2klb s VAL 4 CO -0.06 -0.04 -0.18 -0.36 0.00 0.00 0.00 175.10 174.46 2klb s PHE 5 N 2.37 2.66 0.30 5.22 0.08 0.58 -0.25 117.98 128.94 2klb s PHE 5 Ca 0.45 -0.60 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 2klb s PHE 5 Cb -0.17 -1.71 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2klb s PHE 5 CO 0.13 -0.15 0.43 2.48 -0.10 0.00 0.00 175.22 178.02 2klb n TYR 6 N 3.09 -1.35 -3.68 0.36 4.11 -0.57 -2.05 117.16 117.07 2klb n TYR 6 Ca -0.18 -1.98 -0.28 0.00 -0.00 0.00 0.00 57.90 55.46 2klb n TYR 6 Cb 0.52 0.49 -0.12 0.00 -0.00 0.00 0.00 39.34 40.23 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 -2.73 1.59 0.54 -3.48 0.11 -1.26 -0.35 120.40 114.81 2klb s VAL 7 Ca 0.24 -3.18 0.27 0.00 -2.93 0.00 0.00 61.98 56.38 2klb s VAL 7 Cb -0.01 -2.08 0.42 0.00 -1.53 0.00 0.00 36.38 33.18 2klb s VAL 7 CO 0.17 -1.04 1.97 0.28 -3.33 0.00 0.00 175.10 173.15 2klb h SER 8 N 5.94 0.00 0.68 3.54 0.02 -1.94 -0.88 113.55 120.92 2klb h SER 8 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2klb h SER 8 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2klb h SER 8 CO 0.53 0.00 0.00 1.21 -1.14 0.00 0.00 176.83 177.43 2klb n GLU 9 N -4.31 0.16 -4.19 3.45 2.13 -1.26 -4.74 120.64 111.88 2klb n GLU 9 Ca 0.12 0.40 -0.18 0.00 0.66 0.00 0.00 57.16 58.16 2klb n GLU 9 Cb 0.69 -1.82 -0.15 0.00 0.27 0.00 0.00 31.44 30.43 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 -3.27 0.63 0.00 4.31 5.04 -0.34 -5.13 117.35 118.59 2klb s TYR 10 Ca 0.05 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.54 2klb s TYR 10 Cb 0.09 -0.49 0.00 0.00 0.35 0.00 0.00 41.96 41.91 2klb s TYR 10 CO 0.37 -0.09 0.00 0.41 -1.34 0.00 0.00 175.55 174.90 2klb n GLY 11 N 3.43 0.52 0.00 8.97 0.00 -1.26 -3.59 105.19 113.25 2klb n GLY 11 Ca -0.19 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.32 0.00 -0.32 1.61 4.02 -1.26 -4.16 117.16 116.73 2klb n TYR 12 Ca 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 57.90 58.13 2klb n TYR 12 Cb 0.00 0.00 0.54 0.00 -0.02 0.00 0.00 39.34 39.86 2klb n TYR 12 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2klb h SER 13 N 0.00 0.39 -0.42 7.72 4.64 -1.84 0.46 113.55 124.51 2klb h SER 13 Ca 0.00 0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 2klb h SER 13 Cb 0.00 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 2klb h SER 13 CO 0.00 0.08 -0.08 -2.24 -0.87 0.00 0.00 176.83 173.71 2klb h ASP 14 N 0.35 0.85 -0.36 4.97 2.03 -1.84 0.91 116.42 123.32 2klb h ASP 14 Ca 0.58 -0.25 -0.15 0.00 -0.73 0.00 0.00 57.03 56.48 2klb h ASP 14 Cb 1.57 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.83 2klb h ASP 14 CO -0.26 0.96 -0.33 0.03 -1.03 0.00 0.00 179.24 178.61 2klb h ARG 15 N 0.78 0.90 -0.58 4.15 2.47 -0.50 -0.82 114.38 120.79 2klb h ARG 15 Ca 0.13 -0.44 -0.07 0.00 -1.26 0.00 0.00 59.98 58.34 2klb h ARG 15 Cb 0.59 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 2klb h ARG 15 CO 0.04 1.09 0.09 -0.07 0.56 0.00 0.00 179.97 181.67 2klb h LEU 16 N 0.75 0.93 -0.72 3.04 3.38 -0.80 -1.77 115.31 120.13 2klb h LEU 16 Ca 0.08 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2klb h LEU 16 Cb 0.90 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2klb h LEU 16 CO 0.08 0.96 0.46 0.00 0.09 0.00 0.00 178.44 180.04 2klb h ALA 17 N 1.00 0.93 -0.42 1.53 0.00 -0.66 -1.22 119.26 120.42 2klb h ALA 17 Ca 0.18 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2klb h ALA 17 Cb 0.43 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2klb h ALA 17 CO 0.01 0.28 0.20 0.37 0.00 0.00 0.00 179.25 180.11 2klb h GLN 18 N 0.93 0.39 -0.42 0.00 4.15 -0.92 -1.24 115.11 118.00 2klb h GLN 18 Ca 0.28 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.72 2klb h GLN 18 Cb -0.04 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.51 2klb h GLN 18 CO -0.08 0.26 0.16 0.00 -1.93 0.00 0.00 178.83 177.24 2klb h ALA 19 N 1.24 0.51 -0.13 3.38 0.00 -0.79 0.45 119.26 123.91 2klb h ALA 19 Ca 0.19 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2klb h ALA 19 Cb 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2klb h ALA 19 CO -0.14 -0.22 -0.13 0.82 0.00 0.00 0.00 179.25 179.58 2klb h ILE 20 N 0.34 0.65 0.41 0.00 2.04 -0.89 0.43 117.51 120.49 2klb h ILE 20 Ca 0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2klb h ILE 20 Cb 0.16 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2klb h ILE 20 CO -0.18 0.00 -0.41 0.40 0.00 0.00 0.00 178.15 177.96 2klb h ILE 21 N -0.15 0.18 -0.11 -0.67 2.04 -0.79 -0.69 117.51 117.31 2klb h ILE 21 Ca 0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 2klb h ILE 21 Cb 0.28 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2klb h ILE 21 CO -0.22 0.00 0.08 -1.13 0.00 0.00 0.00 178.15 176.88 2klb h ASN 22 N -0.84 0.00 0.10 1.72 -0.00 -0.77 0.11 115.58 115.90 2klb h ASN 22 Ca -0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 56.01 2klb h ASN 22 Cb 0.74 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.08 2klb h ASN 22 CO -0.06 0.00 -1.03 1.23 -0.00 0.00 0.00 177.43 177.57 2klb h GLY 23 N 0.00 0.69 1.38 1.57 0.00 -0.52 -3.35 103.07 102.84 2klb h GLY 23 Ca 0.05 -1.23 -0.12 0.00 0.00 0.00 0.00 47.33 46.03 2klb h GLY 23 CO -0.00 1.09 -1.00 -2.22 0.00 0.00 0.00 176.54 174.41 2klb h ILE 24 N 0.35 0.56 -0.23 2.60 2.04 -0.28 -3.32 117.51 119.23 2klb h ILE 24 Ca -0.12 -1.94 0.07 0.00 1.00 0.00 0.00 64.86 63.87 2klb h ILE 24 Cb 1.68 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 2klb h ILE 24 CO 0.20 0.32 0.17 0.71 0.00 0.00 0.00 178.15 179.55 2klb h THR 25 N 0.00 0.82 0.00 -0.27 1.35 -0.95 0.15 112.91 114.01 2klb h THR 25 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2klb h THR 25 Cb 1.43 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2klb h THR 25 CO 0.05 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.43 2klb h LYS 26 N 0.00 0.00 -0.00 4.72 1.79 -1.73 0.16 116.57 121.51 2klb h LYS 26 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2klb h LYS 26 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2klb h LYS 26 CO -0.00 0.00 -0.40 2.41 -1.08 0.00 0.00 179.45 180.38 2klb n THR 27 N -2.71 0.00 -2.84 -0.16 -1.04 0.51 -4.97 114.28 103.07 2klb n THR 27 Ca -0.01 -0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 2klb n THR 27 Cb 0.15 0.12 0.03 0.00 -1.82 0.00 0.00 70.33 68.81 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 1.49 0.14 3.13 3.41 0.00 0.04 -5.05 105.19 108.36 2klb n GLY 28 Ca 0.06 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 2klb n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2klb s VAL 29 N -3.00 1.17 -0.37 1.61 1.01 -1.26 -5.09 120.40 114.48 2klb s VAL 29 Ca 0.22 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 2klb s VAL 29 Cb -0.10 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.29 2klb s VAL 29 CO 0.28 0.25 0.51 -0.83 0.00 0.00 0.00 175.10 175.30 2klb s GLY 30 N -0.57 1.82 0.13 4.51 0.00 -1.26 -4.56 107.32 107.39 2klb s GLY 30 Ca 0.05 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.61 2klb s GLY 30 CO -0.00 1.27 0.39 -1.34 0.00 0.00 0.00 173.10 173.42 2klb s VAL 31 N 2.39 5.13 -0.20 1.40 -7.23 -1.26 -1.28 120.40 119.36 2klb s VAL 31 Ca 0.18 0.19 -0.17 0.00 -1.81 0.00 0.00 61.98 60.37 2klb s VAL 31 Cb -0.16 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 2klb s VAL 31 CO 0.14 0.11 0.44 -1.81 -0.31 0.00 0.00 175.10 173.67 2klb s ASP 32 N -2.21 6.49 -0.16 4.85 1.01 -0.81 -4.82 116.67 121.02 2klb s ASP 32 Ca 0.39 0.58 -0.05 0.00 0.71 0.00 0.00 52.55 54.17 2klb s ASP 32 Cb -0.13 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 2klb s ASP 32 CO 0.22 -0.11 0.03 0.68 0.21 0.00 0.00 175.17 176.20 2klb s VAL 33 N 1.39 4.48 0.01 -1.27 -7.23 -1.26 -0.18 120.40 116.34 2klb s VAL 33 Ca 0.21 -0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 60.20 2klb s VAL 33 Cb -0.15 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 2klb s VAL 33 CO 0.09 0.50 0.03 -0.69 -0.31 0.00 0.00 175.10 174.71 2klb s VAL 34 N 0.12 0.07 -0.28 1.32 1.01 0.65 -4.97 120.40 118.32 2klb s VAL 34 Ca 0.03 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 2klb s VAL 34 Cb -0.13 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.01 2klb s VAL 34 CO 0.01 -0.33 0.94 -1.81 0.00 0.00 0.00 175.10 173.91 2klb s ASP 35 N -1.03 6.88 0.30 3.32 1.11 -1.26 -1.52 116.67 124.48 2klb s ASP 35 Ca -0.11 1.01 0.16 0.00 0.18 0.00 0.00 52.55 53.79 2klb s ASP 35 Cb -0.07 -2.49 0.25 0.00 1.07 0.00 0.00 42.92 41.69 2klb s ASP 35 CO -0.00 -0.70 1.53 0.17 1.18 0.00 0.00 175.17 177.35 2klb h LEU 36 N 9.61 0.00 0.00 1.23 8.10 -1.02 -3.26 115.31 129.97 2klb h LEU 36 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.77 2klb h LEU 36 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 2klb h LEU 36 CO 0.95 0.48 -0.48 0.61 -4.11 0.00 0.00 178.44 175.89 2klb n GLY 37 N 0.93 -1.40 3.90 0.17 0.00 -1.25 -4.42 105.19 103.12 2klb n GLY 37 Ca 0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.10 2.92 -1.19 4.61 0.00 -1.23 -4.92 121.76 118.84 2klb s ALA 38 Ca 0.09 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 2klb s ALA 38 Cb 0.15 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 2klb s ALA 38 CO 0.69 -1.25 1.91 0.00 0.00 0.00 0.00 175.76 177.11 2klb n ALA 39 N -3.02 3.20 -1.97 0.00 0.00 -1.26 -4.94 120.51 112.52 2klb n ALA 39 Ca 0.07 -3.48 -0.29 0.00 0.00 0.00 0.00 53.44 49.75 2klb n ALA 39 Cb 0.59 -3.56 0.04 0.00 0.00 0.00 0.00 19.45 16.51 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 6.57 3.65 0.00 0.00 -7.23 -1.26 -5.11 120.40 117.02 2klb s VAL 40 Ca 0.59 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.05 2klb s VAL 40 Cb 0.06 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.50 2klb s VAL 40 CO 0.08 -0.59 0.00 -0.90 -0.31 0.00 0.00 175.10 173.38 2klb n ASP 41 N -2.80 0.75 0.29 4.85 5.68 -1.26 -5.04 116.55 119.01 2klb n ASP 41 Ca 0.06 -0.32 0.15 0.00 -0.50 0.00 0.00 54.79 54.18 2klb n ASP 41 Cb 0.57 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.43 2klb n ASP 41 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2klb h LEU 42 N 0.00 0.00 0.22 -2.12 -0.00 -1.99 -2.52 115.31 108.90 2klb h LEU 42 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2klb h LEU 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2klb h LEU 42 CO 0.00 0.05 -0.11 -0.61 -0.00 0.00 0.00 178.44 177.77 2klb h GLN 43 N 0.00 -0.29 -0.66 1.13 4.15 -1.99 0.65 115.11 118.11 2klb h GLN 43 Ca -0.00 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2klb h GLN 43 Cb 0.15 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 2klb h GLN 43 CO 0.01 -0.08 0.34 0.93 -1.93 0.00 0.00 178.83 178.09 2klb h GLU 44 N -0.44 0.94 0.67 1.69 3.07 -1.90 -0.85 114.58 117.75 2klb h GLU 44 Ca -0.03 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 2klb h GLU 44 Cb 0.33 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2klb h GLU 44 CO 0.05 0.73 -0.42 1.25 -1.40 0.00 0.00 179.01 179.22 2klb h LEU 45 N 0.91 -1.06 -1.02 1.33 7.12 -1.32 -0.08 115.31 121.19 2klb h LEU 45 Ca 0.23 0.06 -0.06 0.00 0.13 0.00 0.00 57.88 58.24 2klb h LEU 45 Cb 0.09 0.31 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 2klb h LEU 45 CO -0.03 -0.64 0.04 -0.09 -0.13 0.00 0.00 178.44 177.58 2klb h ARG 46 N -1.03 0.74 -0.63 1.25 2.43 -0.87 -1.84 114.38 114.43 2klb h ARG 46 Ca -0.08 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 2klb h ARG 46 Cb 0.83 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 2klb h ARG 46 CO 0.08 0.72 0.19 1.49 -1.51 0.00 0.00 179.97 180.94 2klb h GLU 47 N 0.70 0.97 -0.59 0.20 4.81 -1.03 -1.24 114.58 118.39 2klb h GLU 47 Ca 0.14 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2klb h GLU 47 Cb 0.38 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2klb h GLU 47 CO 0.01 0.84 0.38 1.25 -0.73 0.00 0.00 179.01 180.76 2klb h LEU 48 N 0.93 0.65 -1.68 1.64 5.85 -0.50 -1.68 115.31 120.53 2klb h LEU 48 Ca 0.21 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.00 2klb h LEU 48 Cb 0.28 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2klb h LEU 48 CO -0.01 0.46 0.36 0.58 -0.34 0.00 0.00 178.44 179.50 2klb h VAL 49 N 0.77 0.92 -0.58 1.05 2.07 -0.54 0.33 116.25 120.28 2klb h VAL 49 Ca 0.22 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 2klb h VAL 49 Cb -0.05 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2klb h VAL 49 CO -0.07 0.07 -0.03 1.23 0.02 0.00 0.00 177.57 178.80 2klb h GLY 50 N 0.38 1.12 -0.63 2.17 0.00 -0.39 -2.85 103.07 102.87 2klb h GLY 50 Ca 0.24 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2klb h GLY 50 CO -0.06 0.78 0.00 0.54 0.00 0.00 0.00 176.54 177.80 2klb n ARG 51 N -4.20 1.56 -0.19 4.80 3.00 -0.13 -4.60 116.66 116.90 2klb n ARG 51 Ca 0.02 -0.85 0.30 0.00 -0.01 0.00 0.00 57.85 57.31 2klb n ARG 51 Cb 0.36 -1.31 0.63 0.00 0.00 0.00 0.00 32.46 32.14 2klb n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klb h THR 53 N 0.00 0.78 -1.96 0.00 2.02 -1.85 -3.43 112.91 108.47 2klb h THR 53 Ca 0.46 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.54 2klb h THR 53 Cb 2.34 0.51 -0.22 0.00 -1.74 0.00 0.00 68.15 69.05 2klb h THR 53 CO -0.00 0.05 0.14 -0.83 0.37 0.00 0.00 175.52 175.24 2klb s GLY 54 N -3.88 -0.52 0.06 2.16 0.00 0.21 -1.43 107.32 103.91 2klb s GLY 54 Ca -0.07 2.19 -0.07 0.00 0.00 0.00 0.00 44.72 46.77 2klb s GLY 54 CO 0.75 1.92 0.14 0.48 0.00 0.00 0.00 173.10 176.39 2klb s LEU 55 N 0.66 1.64 -0.24 0.66 2.34 -0.80 -2.31 118.68 120.63 2klb s LEU 55 Ca -0.02 -0.60 -0.02 0.00 0.06 0.00 0.00 54.13 53.54 2klb s LEU 55 Cb -0.05 0.80 0.02 0.00 -0.56 0.00 0.00 46.19 46.40 2klb s LEU 55 CO -0.04 -0.62 -0.06 -0.69 -1.06 0.00 0.00 176.35 173.87 2klb s VAL 56 N -3.27 2.96 -0.34 1.48 1.01 0.55 -0.44 120.40 122.36 2klb s VAL 56 Ca 0.01 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2klb s VAL 56 Cb 0.02 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 2klb s VAL 56 CO -0.08 0.27 0.30 -0.63 0.00 0.00 0.00 175.10 174.96 2klb s ILE 57 N 1.36 5.23 -0.19 2.22 1.09 0.77 -0.31 121.20 131.37 2klb s ILE 57 Ca 0.02 -0.11 0.17 0.00 -1.10 0.00 0.00 60.65 59.63 2klb s ILE 57 Cb -0.16 -3.77 0.12 0.00 -1.06 0.00 0.00 42.46 37.59 2klb s ILE 57 CO -0.05 -0.06 1.49 1.23 -0.10 0.00 0.00 174.94 177.46 2klb h GLY 58 N 8.61 0.00 -2.14 6.18 0.00 -1.64 0.53 103.07 114.61 2klb h GLY 58 Ca -0.30 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.11 2klb h GLY 58 CO 0.66 0.00 -0.64 -0.13 0.00 0.00 0.00 176.54 176.43 2klb n MET 59 N -3.21 -2.24 -3.57 4.80 1.56 -1.26 -2.99 117.12 110.20 2klb n MET 59 Ca 0.02 1.77 -0.14 0.00 -0.27 0.00 0.00 57.70 59.08 2klb n MET 59 Cb 0.69 -2.33 -0.06 0.00 2.15 0.00 0.00 33.22 33.66 2klb n MET 59 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2klb s SER 60 N -5.00 -0.59 0.94 6.12 0.15 -1.26 -4.40 113.70 109.66 2klb s SER 60 Ca 0.00 0.83 -0.11 0.00 0.70 0.00 0.00 55.95 57.37 2klb s SER 60 Cb 0.00 0.74 0.11 0.00 -1.71 0.00 0.00 66.02 65.16 2klb s SER 60 CO 0.00 -0.41 0.84 -0.81 1.20 0.00 0.00 173.24 174.06 2klb n PRO 61 N 1.44 -0.50 -0.41 5.44 -0.04 -1.22 -4.08 135.00 135.63 2klb n PRO 61 Ca -0.15 -0.09 0.35 0.00 -0.04 0.00 0.00 63.50 63.57 2klb n PRO 61 Cb 0.57 -2.16 0.63 0.00 -0.04 0.00 0.00 33.50 32.49 2klb n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klb h ALA 62 N -1.81 2.55 -0.66 0.55 0.00 -1.49 0.17 119.26 118.57 2klb h ALA 62 Ca -0.44 0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.77 2klb h ALA 62 Cb 1.28 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 19.20 2klb h ALA 62 CO 0.39 -1.23 0.07 0.00 0.00 0.00 0.00 179.25 178.47 2klb h ALA 63 N 1.72 0.73 0.00 0.00 0.00 -1.89 -1.74 119.26 118.08 2klb h ALA 63 Ca 0.83 0.18 -0.25 0.00 0.00 0.00 0.00 54.91 55.67 2klb h ALA 63 Cb 2.47 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 20.51 2klb h ALA 63 CO -0.53 -0.37 -2.15 0.43 0.00 0.00 0.00 179.25 176.63 2klb n SER 64 N -5.24 0.14 -0.06 0.00 7.64 -0.05 -4.38 113.62 111.67 2klb n SER 64 Ca 0.11 0.06 0.15 0.00 1.01 0.00 0.00 58.87 60.20 2klb n SER 64 Cb 0.39 1.10 0.56 0.00 -1.01 0.00 0.00 64.21 65.25 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 1.29 2.16 -0.42 -0.43 0.00 -0.43 -0.06 119.26 121.38 2klb h ALA 65 Ca -0.36 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2klb h ALA 65 Cb 1.86 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 2klb h ALA 65 CO 0.03 -0.31 0.25 0.00 0.00 0.00 0.00 179.25 179.22 2klb h ALA 66 N 1.71 0.53 -0.31 0.00 0.00 -1.53 0.47 119.26 120.13 2klb h ALA 66 Ca 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2klb h ALA 66 Cb 0.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2klb h ALA 66 CO -0.06 -0.07 0.07 1.03 0.00 0.00 0.00 179.25 180.21 2klb h SER 67 N 0.51 0.41 -0.05 0.00 0.87 -1.27 -2.55 113.55 111.46 2klb h SER 67 Ca 0.17 -0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.42 2klb h SER 67 Cb 0.00 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2klb h SER 67 CO -0.07 0.42 -0.95 0.40 -0.53 0.00 0.00 176.83 176.10 2klb h ILE 68 N 0.44 1.28 -0.70 2.23 2.04 -0.87 -3.36 117.51 118.57 2klb h ILE 68 Ca 0.10 -2.14 0.11 0.00 1.00 0.00 0.00 64.86 63.93 2klb h ILE 68 Cb 0.19 2.24 -0.08 0.00 -0.74 0.00 0.00 36.82 38.43 2klb h ILE 68 CO -0.00 0.67 0.29 -0.61 0.00 0.00 0.00 178.15 178.49 2klb h GLN 69 N 0.44 0.46 -0.73 2.37 4.15 0.36 0.43 115.11 122.59 2klb h GLN 69 Ca -0.10 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.38 2klb h GLN 69 Cb 1.59 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 29.11 2klb h GLN 69 CO 0.19 0.30 0.38 0.78 -1.93 0.00 0.00 178.83 178.55 2klb h GLY 70 N 0.47 1.10 1.63 2.39 0.00 -1.70 -1.04 103.07 105.92 2klb h GLY 70 Ca 0.36 -0.24 -0.23 0.00 0.00 0.00 0.00 47.33 47.22 2klb h GLY 70 CO -0.34 0.07 -1.03 0.00 0.00 0.00 0.00 176.54 175.25 2klb h ALA 71 N 1.43 0.31 -0.77 3.60 0.00 -1.38 -3.32 119.26 119.13 2klb h ALA 71 Ca 0.36 -0.77 0.07 0.00 0.00 0.00 0.00 54.91 54.57 2klb h ALA 71 Cb 0.37 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2klb h ALA 71 CO -0.26 0.89 0.45 1.25 0.00 0.00 0.00 179.25 181.58 2klb h LEU 72 N 0.15 0.68 -1.61 0.00 6.46 0.62 0.13 115.31 121.73 2klb h LEU 72 Ca -0.09 0.03 0.18 0.00 -0.12 0.00 0.00 57.88 57.88 2klb h LEU 72 Cb 1.69 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 41.46 2klb h LEU 72 CO 0.17 0.42 0.55 -1.28 -0.62 0.00 0.00 178.44 177.68 2klb h SER 73 N 0.81 0.34 0.19 1.25 0.87 -1.32 -1.09 113.55 114.59 2klb h SER 73 Ca 0.35 0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 60.64 2klb h SER 73 Cb 0.23 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2klb h SER 73 CO -0.20 0.15 -1.42 0.74 -0.53 0.00 0.00 176.83 175.58 2klb h THR 74 N 0.35 1.17 -0.71 2.23 2.02 -1.09 -3.37 112.91 113.50 2klb h THR 74 Ca 0.41 -2.55 0.05 0.00 0.77 0.00 0.00 66.41 65.09 2klb h THR 74 Cb 1.07 2.92 -0.05 0.00 -1.74 0.00 0.00 68.15 70.35 2klb h THR 74 CO -0.13 0.78 0.42 0.40 0.37 0.00 0.00 175.52 177.37 2klb h ILE 75 N -0.06 1.03 0.00 3.11 2.04 0.06 -1.57 117.51 122.13 2klb h ILE 75 Ca -0.27 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2klb h ILE 75 Cb 1.96 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2klb h ILE 75 CO 0.18 0.15 0.00 -0.07 0.00 0.00 0.00 178.15 178.40 2klb h LEU 76 N 0.80 0.00 0.00 1.44 3.38 -1.40 0.13 115.31 119.67 2klb h LEU 76 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2klb h LEU 76 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2klb h LEU 76 CO -0.15 0.00 -0.44 1.23 0.09 0.00 0.00 178.44 179.17 2klb h GLY 77 N 0.34 0.00 0.12 0.83 0.00 -1.44 -3.37 103.07 99.55 2klb h GLY 77 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 2klb h GLY 77 CO 0.00 0.00 -2.36 1.44 0.00 0.00 0.00 176.54 175.62 2klb n SER 78 N -2.27 1.42 -4.49 0.19 7.64 0.30 -4.92 113.62 111.48 2klb n SER 78 Ca 0.04 -0.04 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2klb n SER 78 Cb 0.45 -0.07 -0.12 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.52 4.34 0.10 0.44 -7.23 -0.19 -5.06 120.40 110.28 2klb s VAL 79 Ca -0.25 -0.17 -0.04 0.00 -1.81 0.00 0.00 61.98 59.70 2klb s VAL 79 Cb 0.08 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 34.04 2klb s VAL 79 CO 0.69 0.39 0.21 -0.46 -0.31 0.00 0.00 175.10 175.62 2klb n ASN 80 N 4.44 -0.58 0.00 4.85 6.94 -1.26 -4.70 115.26 124.94 2klb n ASN 80 Ca -0.16 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.00 2klb n ASN 80 Cb 0.52 0.97 0.00 0.00 -2.36 0.00 0.00 39.78 38.90 2klb n ASN 80 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2klb n GLU 81 N -0.14 0.00 0.00 -3.83 2.13 -1.26 -3.33 120.64 114.21 2klb n GLU 81 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2klb n GLU 81 Cb 0.15 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.86 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 -0.70 5.31 2.85 -1.26 -4.10 118.16 120.26 2klb n LYS 82 Ca 0.00 -0.07 -0.30 0.00 -1.05 0.00 0.00 58.31 56.88 2klb n LYS 82 Cb 0.00 -0.11 0.27 0.00 -0.65 0.00 0.00 35.03 34.53 2klb n LYS 82 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2klb s GLN 83 N 0.00 -2.13 -0.18 -1.58 -2.07 -1.21 -3.03 119.66 109.46 2klb s GLN 83 Ca 0.00 0.06 -0.20 0.00 -1.82 0.00 0.00 55.36 53.40 2klb s GLN 83 Cb 0.00 -1.48 -0.03 0.00 -1.09 0.00 0.00 33.01 30.41 2klb s GLN 83 CO 0.00 -4.34 0.59 0.00 -1.32 0.00 0.00 175.29 170.23 2klb s ALA 84 N -2.61 3.53 -0.29 2.60 0.00 -0.52 -0.96 121.76 123.51 2klb s ALA 84 Ca 0.70 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 2klb s ALA 84 Cb -0.12 -2.90 0.09 0.00 0.00 0.00 0.00 23.12 20.19 2klb s ALA 84 CO 0.57 -0.46 0.07 0.14 0.00 0.00 0.00 175.76 176.09 2klb s VAL 85 N 1.67 0.96 -0.73 0.00 -7.23 0.33 -1.91 120.40 113.49 2klb s VAL 85 Ca 0.28 -1.30 -0.17 0.00 -1.81 0.00 0.00 61.98 58.98 2klb s VAL 85 Cb -0.16 -1.64 0.15 0.00 0.56 0.00 0.00 36.38 35.30 2klb s VAL 85 CO 0.11 -0.54 0.78 -0.83 -0.31 0.00 0.00 175.10 174.30 2klb s GLY 86 N 1.60 2.16 -0.11 2.32 0.00 0.42 -2.43 107.32 111.27 2klb s GLY 86 Ca 0.07 -2.76 -0.08 0.00 0.00 0.00 0.00 44.72 41.94 2klb s GLY 86 CO -0.20 1.50 0.17 -1.50 0.00 0.00 0.00 173.10 173.07 2klb s ILE 87 N 1.65 5.45 0.35 0.90 2.07 -1.26 -0.17 121.20 130.18 2klb s ILE 87 Ca 0.17 0.28 0.06 0.00 -1.41 0.00 0.00 60.65 59.75 2klb s ILE 87 Cb -0.16 -3.44 -0.02 0.00 0.13 0.00 0.00 42.46 38.96 2klb s ILE 87 CO -0.03 0.60 0.23 2.22 -1.91 0.00 0.00 174.94 176.05 2klb n PHE 88 N 2.11 -0.46 -4.74 3.50 -1.74 0.18 -4.19 117.46 112.11 2klb n PHE 88 Ca -0.19 -2.66 -0.33 0.00 -0.56 0.00 0.00 57.45 53.71 2klb n PHE 88 Cb 0.54 0.18 -0.13 0.00 1.52 0.00 0.00 39.48 41.60 2klb n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 2klb s GLU 89 N -3.38 3.07 -0.21 3.97 2.02 -1.26 -4.09 118.70 118.82 2klb s GLU 89 Ca 0.32 -0.64 -0.12 0.00 0.02 0.00 0.00 54.97 54.55 2klb s GLU 89 Cb 0.02 -2.59 0.06 0.00 0.10 0.00 0.00 34.13 31.72 2klb s GLU 89 CO 0.23 0.41 0.51 -0.08 0.02 0.00 0.00 175.26 176.34 2klb s THR 90 N -0.14 -0.02 0.00 3.63 -1.32 -1.16 -4.81 115.64 111.82 2klb s THR 90 Ca -0.00 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 2klb s THR 90 Cb -0.13 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 2klb s THR 90 CO 0.03 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 2klb n GLY 91 N 4.18 1.93 6.70 6.08 0.00 -0.73 -4.31 105.19 119.05 2klb n GLY 91 Ca -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.44 7.00 -0.02 0.00 -1.26 -3.99 105.19 107.36 2klb n GLY 92 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2klb n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 93 N 0.00 2.61 3.21 -0.02 0.00 -1.06 -3.38 105.19 106.55 2klb n GLY 93 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 2klb n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2klb s ASP 94 N -4.00 2.60 -0.21 1.61 1.01 -1.26 -5.04 116.67 111.37 2klb s ASP 94 Ca 0.00 -0.43 -0.28 0.00 0.71 0.00 0.00 52.55 52.56 2klb s ASP 94 Cb 0.00 -0.65 0.13 0.00 1.01 0.00 0.00 42.92 43.40 2klb s ASP 94 CO 0.00 0.21 1.02 -0.62 0.21 0.00 0.00 175.17 175.98 2klb s ASP 95 N -0.13 -0.40 -0.22 0.27 2.15 -1.26 -1.38 116.67 115.70 2klb s ASP 95 Ca -0.02 0.60 -0.04 0.00 0.43 0.00 0.00 52.55 53.52 2klb s ASP 95 Cb -0.12 0.55 -0.12 0.00 -0.30 0.00 0.00 42.92 42.93 2klb s ASP 95 CO 0.02 -0.26 -0.23 -0.62 -0.17 0.00 0.00 175.17 173.91 2klb n GLU 96 N 1.38 0.51 0.13 4.34 4.71 -1.26 -4.43 120.64 126.02 2klb n GLU 96 Ca -0.11 0.16 0.05 0.00 -0.01 0.00 0.00 57.16 57.24 2klb n GLU 96 Cb 0.57 -1.38 0.24 0.00 -1.01 0.00 0.00 31.44 29.87 2klb n GLU 96 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2klb n PRO 97 N -3.51 0.06 -0.31 3.49 -0.02 -1.26 -2.03 135.00 131.43 2klb n PRO 97 Ca -0.41 0.49 0.15 0.00 -2.02 0.00 0.00 63.50 61.71 2klb n PRO 97 Cb 0.87 -2.03 0.40 0.00 -0.02 0.00 0.00 33.50 32.72 2klb n PRO 97 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2klb h ILE 98 N 0.00 0.71 0.53 4.25 6.09 -1.99 -0.92 117.51 126.18 2klb h ILE 98 Ca 0.00 -0.21 -0.03 0.00 -1.37 0.00 0.00 64.86 63.25 2klb h ILE 98 Cb 0.65 0.03 0.01 0.00 0.47 0.00 0.00 36.82 37.98 2klb h ILE 98 CO 0.00 0.11 -0.26 0.44 -3.07 0.00 0.00 178.15 175.38 2klb h ASP 99 N 0.62 -0.61 -0.85 2.19 5.19 -1.74 -0.11 116.42 121.11 2klb h ASP 99 Ca 0.53 -0.04 0.12 0.00 -0.62 0.00 0.00 57.03 57.01 2klb h ASP 99 Cb 1.00 0.16 -0.06 0.00 0.18 0.00 0.00 39.33 40.61 2klb h ASP 99 CO -0.28 -0.31 0.55 -0.65 -3.12 0.00 0.00 179.24 175.43 2klb h PRO 100 N -0.90 0.69 0.84 3.56 0.11 -1.75 -1.17 132.00 133.39 2klb h PRO 100 Ca -0.07 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 2klb h PRO 100 Cb 0.61 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.58 2klb h PRO 100 CO 0.12 0.46 -0.41 1.25 -0.21 0.00 0.00 178.00 179.21 2klb h LEU 101 N 0.71 -0.96 -0.94 2.35 5.85 -0.89 0.11 115.31 121.54 2klb h LEU 101 Ca 0.41 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.21 2klb h LEU 101 Cb 0.59 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 2klb h LEU 101 CO -0.17 -0.69 0.60 -0.07 -0.34 0.00 0.00 178.44 177.77 2klb h LEU 102 N -1.14 0.99 -0.58 2.25 3.38 -0.92 -1.95 115.31 117.34 2klb h LEU 102 Ca -0.12 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.91 2klb h LEU 102 Cb 0.87 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2klb h LEU 102 CO 0.19 0.65 0.29 -1.28 0.09 0.00 0.00 178.44 178.39 2klb h SER 103 N 1.14 0.41 -0.29 -0.43 0.87 -1.03 -1.62 113.55 112.60 2klb h SER 103 Ca 0.39 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 61.04 2klb h SER 103 Cb 0.08 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 2klb h SER 103 CO -0.15 0.27 -0.00 0.50 -0.53 0.00 0.00 176.83 176.93 2klb h LYS 104 N 0.55 0.08 -0.41 2.24 1.63 0.01 0.40 116.57 121.08 2klb h LYS 104 Ca 0.26 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 2klb h LYS 104 Cb 0.19 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2klb h LYS 104 CO -0.19 0.05 0.02 0.74 -3.45 0.00 0.00 179.45 176.63 2klb h PHE 105 N 0.08 0.67 0.31 1.91 0.04 -1.25 -2.59 116.94 116.11 2klb h PHE 105 Ca 0.14 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2klb h PHE 105 Cb 0.18 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.14 2klb h PHE 105 CO -0.22 0.62 -0.15 0.00 -0.60 0.00 0.00 178.31 177.97 2klb h ARG 106 N 0.61 -0.40 -0.59 1.51 2.47 -0.54 -0.60 114.38 116.84 2klb h ARG 106 Ca 0.13 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.87 2klb h ARG 106 Cb 0.35 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 2klb h ARG 106 CO 0.01 -0.06 0.34 -0.91 0.56 0.00 0.00 179.97 179.91 2klb h ASN 107 N -0.86 0.71 0.09 7.04 -0.26 -0.97 -2.73 115.58 118.60 2klb h ASN 107 Ca -0.04 -0.07 -0.21 0.00 -0.56 0.00 0.00 56.30 55.42 2klb h ASN 107 Cb 0.52 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2klb h ASN 107 CO 0.07 0.57 -0.80 -0.07 -1.06 0.00 0.00 177.43 176.14 2klb h LEU 108 N 0.79 0.71 -2.00 1.61 4.07 -1.58 -3.49 115.31 115.41 2klb h LEU 108 Ca 0.21 -0.48 -0.23 0.00 0.08 0.00 0.00 57.88 57.46 2klb h LEU 108 Cb -0.00 -0.21 0.13 0.00 1.08 0.00 0.00 40.66 41.66 2klb h LEU 108 CO -0.04 1.26 -0.59 0.61 -1.08 0.00 0.00 178.44 178.60 2klb n GLY 109 N 0.71 -0.31 3.84 0.83 0.00 -0.23 -4.61 105.19 105.42 2klb n GLY 109 Ca -0.06 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2klb n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klb s LEU 110 N -5.10 2.20 -0.76 0.99 1.02 -1.25 -4.66 118.68 111.12 2klb s LEU 110 Ca 0.11 0.66 -0.26 0.00 0.02 0.00 0.00 54.13 54.66 2klb s LEU 110 Cb -0.01 -2.87 -0.07 0.00 0.02 0.00 0.00 46.19 43.26 2klb s LEU 110 CO 0.55 -2.63 2.12 -0.89 0.02 0.00 0.00 176.35 175.51 2klb s THR 111 N -3.51 3.25 -0.17 5.49 2.01 -0.14 -4.91 115.64 117.66 2klb s THR 111 Ca 0.67 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.49 2klb s THR 111 Cb -0.10 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2klb s THR 111 CO 0.52 -0.56 0.11 -0.89 -0.69 0.00 0.00 174.62 173.11 2klb s THR 112 N 11.45 5.21 0.02 -0.82 2.01 -1.26 -0.52 115.64 131.73 2klb s THR 112 Ca 0.79 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.71 2klb s THR 112 Cb -0.11 -3.34 -0.11 0.00 0.01 0.00 0.00 72.50 68.96 2klb s THR 112 CO 0.10 0.49 1.16 0.00 -0.69 0.00 0.00 174.62 175.68 2klb h ALA 113 N 6.22 -1.05 -2.34 7.40 0.00 -1.79 -3.45 119.26 124.25 2klb h ALA 113 Ca -0.44 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 2klb h ALA 113 Cb 1.17 0.27 -0.33 0.00 0.00 0.00 0.00 17.79 18.91 2klb h ALA 113 CO 0.69 -1.00 -0.55 0.12 0.00 0.00 0.00 179.25 178.51 2klb s PHE 114 N -4.29 -0.52 -2.16 0.00 5.36 -1.26 -5.02 117.98 110.08 2klb s PHE 114 Ca -0.10 0.62 0.17 0.00 -0.96 0.00 0.00 56.93 56.65 2klb s PHE 114 Cb 0.01 -0.14 0.58 0.00 -0.34 0.00 0.00 43.02 43.13 2klb s PHE 114 CO 0.30 -0.60 1.43 -0.35 -1.46 0.00 0.00 175.22 174.55 2klb n PRO 115 N 5.34 1.73 -4.77 10.12 -0.04 -1.26 -4.81 135.00 141.31 2klb n PRO 115 Ca -0.05 -1.11 -0.31 0.00 -0.04 0.00 0.00 63.50 61.99 2klb n PRO 115 Cb 0.50 -1.34 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 2klb n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klb s ALA 116 N -1.70 2.45 0.30 0.55 0.00 -1.26 -5.13 121.76 116.98 2klb s ALA 116 Ca 0.28 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 2klb s ALA 116 Cb 0.15 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2klb s ALA 116 CO 0.22 0.56 0.52 0.96 0.00 0.00 0.00 175.76 178.01 2klb s ILE 117 N -0.87 5.10 0.00 0.00 -4.36 -1.26 -4.99 121.20 114.82 2klb s ILE 117 Ca 0.13 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.25 2klb s ILE 117 Cb -0.10 -3.80 0.00 0.00 1.25 0.00 0.00 42.46 39.81 2klb s ILE 117 CO 0.04 -0.41 0.00 0.54 0.24 0.00 0.00 174.94 175.35 2klb n ARG 118 N -1.29 0.00 -2.25 0.37 5.12 -1.26 -5.10 116.66 112.26 2klb n ARG 118 Ca -0.04 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.45 2klb n ARG 118 Cb 0.55 -0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.82 2klb n ARG 118 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2klb s ILE 119 N -1.98 3.83 -0.25 0.55 1.09 -1.26 -4.88 121.20 118.30 2klb s ILE 119 Ca 0.00 0.89 0.19 0.00 -1.10 0.00 0.00 60.65 60.62 2klb s ILE 119 Cb 0.00 -3.98 0.11 0.00 -1.06 0.00 0.00 42.46 37.53 2klb s ILE 119 CO 0.00 -0.53 1.35 0.50 -0.10 0.00 0.00 174.94 176.16 2klb h LYS 120 N 10.81 0.00 0.00 2.79 3.64 -1.99 -3.43 116.57 128.39 2klb h LYS 120 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2klb h LYS 120 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2klb h LYS 120 CO 1.05 0.25 0.00 0.94 -2.27 0.00 0.00 179.45 179.41 2klb n GLN 121 N -3.06 0.00 -3.30 1.90 7.27 -1.26 -2.55 117.38 116.38 2klb n GLN 121 Ca 0.01 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.70 2klb n GLN 121 Cb 0.66 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.25 2klb n GLN 121 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2klb s THR 122 N -1.27 5.18 0.70 1.69 -4.23 -1.26 -1.77 115.64 114.68 2klb s THR 122 Ca 0.00 0.96 -0.16 0.00 -1.18 0.00 0.00 61.69 61.30 2klb s THR 122 Cb 0.00 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 70.04 2klb s THR 122 CO 0.00 0.31 1.23 -2.84 -0.54 0.00 0.00 174.62 172.78 2klb s PRO 123 N 0.74 2.29 0.36 3.99 0.02 -1.26 -4.92 135.00 136.21 2klb s PRO 123 Ca 0.26 1.86 0.08 0.00 0.02 0.00 0.00 61.00 63.22 2klb s PRO 123 Cb -0.15 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2klb s PRO 123 CO 0.10 -1.75 0.18 0.95 -0.33 0.00 0.00 177.00 176.15 2klb s THR 124 N -1.79 2.93 0.41 0.99 -4.23 -1.26 -4.99 115.64 107.70 2klb s THR 124 Ca 0.77 -1.64 0.13 0.00 -1.18 0.00 0.00 61.69 59.76 2klb s THR 124 Cb -0.32 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 70.86 2klb s THR 124 CO 0.43 -0.14 1.94 -0.08 -0.54 0.00 0.00 174.62 176.23 2klb h GLU 125 N 1.47 0.49 -0.02 3.99 4.81 -2.03 -0.70 114.58 122.59 2klb h GLU 125 Ca -0.43 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 58.61 2klb h GLU 125 Cb 1.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2klb h GLU 125 CO 0.63 0.33 -0.69 -0.91 -0.73 0.00 0.00 179.01 177.64 2klb h ASN 126 N 0.51 0.12 -0.92 1.04 2.35 -2.02 -3.20 115.58 113.45 2klb h ASN 126 Ca 0.34 -0.08 0.10 0.00 -0.55 0.00 0.00 56.30 56.11 2klb h ASN 126 Cb 0.63 -0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.90 2klb h ASN 126 CO -0.11 0.77 0.59 0.74 -1.65 0.00 0.00 177.43 177.77 2klb h THR 127 N 0.07 0.97 -0.94 2.81 2.02 -1.51 -1.26 112.91 115.07 2klb h THR 127 Ca -0.01 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 66.91 2klb h THR 127 Cb 1.22 -0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 2klb h THR 127 CO 0.10 0.17 0.60 1.88 0.37 0.00 0.00 175.52 178.64 2klb h TYR 128 N 0.93 1.12 0.00 3.16 -1.99 -1.54 -1.49 116.97 117.16 2klb h TYR 128 Ca 0.43 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 61.18 2klb h TYR 128 Cb 0.41 -0.36 -0.00 0.00 2.00 0.00 0.00 36.73 38.78 2klb h TYR 128 CO -0.00 0.58 -0.04 0.87 -0.00 0.00 0.00 178.16 179.57 2klb h LYS 129 N 1.10 0.00 -0.06 4.88 1.57 -1.37 0.12 116.57 122.81 2klb h LYS 129 Ca 0.41 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 2klb h LYS 129 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2klb h LYS 129 CO -0.17 0.04 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.59 2klb h LEU 130 N 0.00 0.19 -1.63 2.94 3.38 -1.23 0.10 115.31 119.06 2klb h LEU 130 Ca -0.00 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 2klb h LEU 130 Cb 0.07 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2klb h LEU 130 CO 0.01 0.68 0.18 0.00 0.09 0.00 0.00 178.44 179.40 2klb n GLU 132 N -4.46 0.00 0.20 0.00 1.02 0.34 -3.56 120.64 114.18 2klb n GLU 132 Ca 0.02 0.20 -0.15 0.00 -0.02 0.00 0.00 57.16 57.21 2klb n GLU 132 Cb 0.09 -0.66 -0.08 0.00 -0.02 0.00 0.00 31.44 30.77 2klb n GLU 132 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2klb h GLU 133 N 0.00 -0.44 -0.62 3.49 4.81 -0.92 -1.03 114.58 119.88 2klb h GLU 133 Ca 0.00 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 2klb h GLU 133 Cb 0.00 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2klb h GLU 133 CO 0.00 -0.24 0.04 0.00 -0.73 0.00 0.00 179.01 178.09 2klb h ALA 134 N 0.08 0.83 0.00 2.92 0.00 -1.48 -2.42 119.26 119.19 2klb h ALA 134 Ca -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2klb h ALA 134 Cb 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2klb h ALA 134 CO 0.08 0.64 -0.06 0.78 0.00 0.00 0.00 179.25 180.69 2klb h GLY 135 N 0.97 0.00 0.99 0.00 0.00 -1.19 -3.02 103.07 100.82 2klb h GLY 135 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2klb h GLY 135 CO 0.02 0.00 -0.01 -0.84 0.00 0.00 0.00 176.54 175.72 2klb h THR 136 N 0.00 1.00 -0.11 4.70 2.02 -0.66 -1.40 112.91 118.47 2klb h THR 136 Ca -0.00 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.18 2klb h THR 136 Cb 0.15 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2klb h THR 136 CO 0.01 0.01 -0.07 -0.78 0.37 0.00 0.00 175.52 175.06 2klb h ASP 137 N -0.03 -0.21 -0.33 4.18 3.58 -1.60 0.62 116.42 122.63 2klb h ASP 137 Ca -0.00 0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.56 2klb h ASP 137 Cb 0.03 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.13 2klb h ASP 137 CO 0.00 -0.09 -0.09 0.25 -2.88 0.00 0.00 179.24 176.43 2klb h LEU 138 N -0.06 -0.34 -0.45 2.28 7.12 -1.54 -1.46 115.31 120.86 2klb h LEU 138 Ca 0.07 0.10 -0.05 0.00 0.13 0.00 0.00 57.88 58.13 2klb h LEU 138 Cb 0.16 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 2klb h LEU 138 CO -0.15 -0.12 0.09 1.23 -0.13 0.00 0.00 178.44 179.35 2klb h GLY 139 N -0.02 0.79 0.84 3.75 0.00 -1.03 -3.18 103.07 104.22 2klb h GLY 139 Ca 0.16 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.98 2klb h GLY 139 CO -0.34 0.48 -0.09 1.46 0.00 0.00 0.00 176.54 178.05 2klb h GLN 140 N 0.60 -0.17 0.04 4.80 4.20 -0.38 -2.61 115.11 121.59 2klb h GLN 140 Ca 0.14 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.88 2klb h GLN 140 Cb 0.36 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2klb h GLN 140 CO 0.01 -0.11 -0.18 2.35 -0.67 0.00 0.00 178.83 180.23 2klb h TRP 141 N -0.17 -0.47 0.05 2.96 7.01 -1.33 0.16 115.95 124.15 2klb h TRP 141 Ca 0.02 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.04 2klb h TRP 141 Cb 0.19 0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 2klb h TRP 141 CO -0.13 -0.26 -0.11 0.28 -2.79 0.00 0.00 178.44 175.43 2klb h VAL 142 N -0.31 0.74 -0.09 2.65 2.07 -1.53 0.36 116.25 120.15 2klb h VAL 142 Ca 0.04 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.35 2klb h VAL 142 Cb 0.37 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2klb h VAL 142 CO -0.14 0.00 -0.81 0.00 0.02 0.00 0.00 177.57 176.64 2klb h THR 143 N -0.21 1.34 0.00 2.57 1.03 -1.39 -3.08 112.91 113.18 2klb h THR 143 Ca 0.02 -2.14 0.00 0.00 -0.01 0.00 0.00 66.41 64.28 2klb h THR 143 Cb 0.23 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 2klb h THR 143 CO -0.07 0.66 0.00 0.54 -0.01 0.00 0.00 175.52 176.63 2klb n ARG 144 N -3.86 0.17 0.04 0.00 1.74 0.54 -1.38 116.66 113.92 2klb n ARG 144 Ca -0.06 0.23 -0.13 0.00 -0.77 0.00 0.00 57.85 57.11 2klb n ARG 144 Cb 0.76 -1.73 -0.09 0.00 -1.02 0.00 0.00 32.46 30.38 2klb n ARG 144 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2klb h ASP 145 N 0.00 -0.09 -0.28 0.55 3.58 -0.83 0.57 116.42 119.92 2klb h ASP 145 Ca 0.00 -0.33 -0.03 0.00 0.42 0.00 0.00 57.03 57.09 2klb h ASP 145 Cb 0.56 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2klb h ASP 145 CO 0.00 0.29 0.09 0.03 -2.88 0.00 0.00 179.24 176.77 2klb h ARG 146 N -0.49 0.52 0.11 0.28 3.08 -1.43 -2.62 114.38 113.83 2klb h ARG 146 Ca -0.01 -0.08 -0.28 0.00 0.07 0.00 0.00 59.98 59.68 2klb h ARG 146 Cb 0.41 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 30.39 2klb h ARG 146 CO 0.02 0.47 -1.21 1.25 -1.07 0.00 0.00 179.97 179.43 2klb h LEU 147 N 0.51 0.70 0.00 3.04 7.12 -1.25 -3.47 115.31 121.96 2klb h LEU 147 Ca 0.12 -0.66 0.00 0.00 0.13 0.00 0.00 57.88 57.47 2klb h LEU 147 Cb 0.19 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.10 2klb h LEU 147 CO -0.00 1.49 0.00 1.21 -0.13 0.00 0.00 178.44 181.00 2klb n GLU 148 N -3.71 0.00 0.00 1.25 0.00 0.16 -5.06 120.64 113.27 2klb n GLU 148 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 2klb n GLU 148 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.42 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2klb n HIS 149 N -0.92 0.00 -1.35 4.31 -0.00 0.11 -4.77 115.22 112.60 2klb n HIS 149 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2klb n HIS 149 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2klb n HIS 149 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2klb n HIS 150 N 0.00 -3.69 -2.99 1.57 -0.00 -1.26 -3.66 115.22 105.19 2klb n HIS 150 Ca 0.00 1.99 -0.20 0.00 0.46 0.00 0.00 57.72 59.98 2klb n HIS 150 Cb 0.00 -3.16 0.06 0.00 -0.12 0.00 0.00 29.99 26.76 2klb n HIS 150 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2klb s HIS 151 N -5.10 1.61 0.28 1.57 3.76 -1.26 -4.93 115.29 111.22 2klb s HIS 151 Ca 0.00 -0.64 -0.29 0.00 -0.15 0.00 0.00 55.06 53.97 2klb s HIS 151 Cb 0.00 -2.30 -0.10 0.00 1.11 0.00 0.00 32.58 31.30 2klb s HIS 151 CO 0.00 -1.10 1.08 -1.01 -0.85 0.00 0.00 174.74 172.86 2klb s HIS 152 N -2.66 3.61 0.17 1.40 3.76 -1.26 -4.90 115.29 115.41 2klb s HIS 152 Ca 0.61 1.72 -0.12 0.00 -0.15 0.00 0.00 55.06 57.12 2klb s HIS 152 Cb -0.06 -3.25 0.07 0.00 1.11 0.00 0.00 32.58 30.44 2klb s HIS 152 CO 0.39 -0.46 1.73 1.25 -0.85 0.00 0.00 174.74 176.80 2klb h HIS 153 N 3.82 0.89 0.00 1.40 2.76 -1.98 -3.54 115.15 118.50 2klb h HIS 153 Ca -0.47 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 2klb h HIS 153 Cb 1.21 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.90 2klb h HIS 153 CO 0.59 0.72 0.00 0.72 -1.30 0.00 0.00 177.93 178.66