#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 -9.27 -2.77 0.44 2.08 -1.26 -3.36 119.36 105.23 2klb n ILE 2 Ca 0.00 2.01 -0.43 0.00 0.56 0.00 0.00 62.75 64.89 2klb n ILE 2 Cb 0.00 -4.97 -0.04 0.00 -0.75 0.00 0.00 39.64 33.88 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 -0.38 1.42 -0.40 7.39 0.00 -0.32 -1.99 107.32 113.05 2klb s GLY 3 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 44.72 43.80 2klb s GLY 3 CO 0.00 2.13 0.38 0.14 0.00 0.00 0.00 173.10 175.76 2klb s VAL 4 N 3.96 5.15 -0.08 1.40 1.01 0.06 -1.18 120.40 130.73 2klb s VAL 4 Ca 0.39 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2klb s VAL 4 Cb -0.09 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2klb s VAL 4 CO 0.27 -0.30 0.25 -0.36 0.00 0.00 0.00 175.10 174.96 2klb s PHE 5 N 2.00 3.64 0.11 5.22 0.08 -1.04 -0.70 117.98 127.28 2klb s PHE 5 Ca 0.10 0.71 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 2klb s PHE 5 Cb -0.17 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.16 2klb s PHE 5 CO 0.12 0.68 0.09 1.52 -0.10 0.00 0.00 175.22 177.53 2klb s TYR 6 N -0.97 0.58 -0.30 0.36 1.13 -0.54 -4.24 117.35 113.37 2klb s TYR 6 Ca 0.18 -1.01 -0.08 0.00 -1.41 0.00 0.00 57.07 54.75 2klb s TYR 6 Cb -0.14 -0.32 -0.00 0.00 -1.10 0.00 0.00 41.96 40.40 2klb s TYR 6 CO 0.07 -0.51 0.11 0.08 -2.51 0.00 0.00 175.55 172.79 2klb s VAL 7 N -3.97 4.29 0.66 -3.49 1.01 -1.25 -1.72 120.40 115.93 2klb s VAL 7 Ca 0.15 -0.52 0.44 0.00 0.00 0.00 0.00 61.98 62.05 2klb s VAL 7 Cb 0.07 -3.18 0.44 0.00 0.00 0.00 0.00 36.38 33.71 2klb s VAL 7 CO -0.04 0.10 2.37 0.28 0.00 0.00 0.00 175.10 177.81 2klb h SER 8 N 8.29 0.00 0.02 3.32 0.02 -1.85 -2.97 113.55 120.38 2klb h SER 8 Ca -0.32 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2klb h SER 8 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2klb h SER 8 CO 0.61 0.00 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.21 2klb h GLU 9 N 0.00 -0.03 0.00 3.45 4.81 -1.93 -3.47 114.58 117.41 2klb h GLU 9 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2klb h GLU 9 Cb 0.01 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2klb h GLU 9 CO 0.00 -0.02 -0.13 0.98 -0.73 0.00 0.00 179.01 179.11 2klb n TYR 10 N -2.16 0.00 -0.61 0.92 9.36 -1.21 -5.08 117.16 118.39 2klb n TYR 10 Ca -0.00 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.01 2klb n TYR 10 Cb 0.01 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.66 2klb n TYR 10 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2klb n GLY 11 N 1.31 -0.16 0.00 2.98 0.00 -1.13 -4.75 105.19 103.44 2klb n GLY 11 Ca 0.00 0.49 0.05 0.00 0.00 0.00 0.00 46.02 46.56 2klb n GLY 11 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2klb n TYR 12 N 4.06 0.00 0.33 1.61 9.36 -1.26 -3.82 117.16 127.44 2klb n TYR 12 Ca 0.27 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.68 2klb n TYR 12 Cb 0.00 0.00 1.06 0.00 -0.63 0.00 0.00 39.34 39.77 2klb n TYR 12 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 2klb h SER 13 N 0.00 0.00 -0.39 2.98 0.02 -1.90 -1.92 113.55 112.35 2klb h SER 13 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2klb h SER 13 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2klb h SER 13 CO 0.00 0.00 0.19 -2.24 -1.14 0.00 0.00 176.83 173.64 2klb h ASP 14 N 0.00 0.55 -0.21 3.07 2.03 -1.89 0.19 116.42 120.16 2klb h ASP 14 Ca 0.00 -0.05 -0.14 0.00 -0.73 0.00 0.00 57.03 56.11 2klb h ASP 14 Cb 0.23 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 2klb h ASP 14 CO 0.00 0.49 -0.38 0.03 -1.03 0.00 0.00 179.24 178.35 2klb h ARG 15 N 0.61 0.74 -0.36 4.15 2.47 -1.68 -2.52 114.38 117.80 2klb h ARG 15 Ca 0.15 -0.38 -0.17 0.00 -1.26 0.00 0.00 59.98 58.33 2klb h ARG 15 Cb 0.10 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2klb h ARG 15 CO -0.02 1.00 -0.44 -0.07 0.56 0.00 0.00 179.97 181.00 2klb h LEU 16 N 0.61 1.00 -1.10 3.04 3.38 -1.49 -3.15 115.31 117.60 2klb h LEU 16 Ca 0.05 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.60 2klb h LEU 16 Cb 0.92 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2klb h LEU 16 CO 0.08 1.29 0.61 0.00 0.09 0.00 0.00 178.44 180.51 2klb h ALA 17 N 0.74 1.48 -0.81 1.53 0.00 -0.55 -0.86 119.26 120.80 2klb h ALA 17 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2klb h ALA 17 Cb 1.04 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2klb h ALA 17 CO 0.11 0.37 0.43 0.37 0.00 0.00 0.00 179.25 180.53 2klb h GLN 18 N 1.07 1.13 -0.57 0.00 4.15 -1.41 0.25 115.11 119.73 2klb h GLN 18 Ca 0.41 -0.14 -0.11 0.00 0.77 0.00 0.00 58.65 59.58 2klb h GLN 18 Cb 0.20 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2klb h GLN 18 CO -0.16 0.84 -0.07 0.00 -1.93 0.00 0.00 178.83 177.52 2klb h ALA 19 N 1.23 0.78 0.60 3.38 0.00 -1.33 -2.59 119.26 121.32 2klb h ALA 19 Ca 0.28 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2klb h ALA 19 Cb 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2klb h ALA 19 CO -0.04 0.67 -0.29 0.82 0.00 0.00 0.00 179.25 180.41 2klb h ILE 20 N 0.95 0.35 -0.89 0.00 2.04 -0.74 -3.02 117.51 116.21 2klb h ILE 20 Ca 0.15 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 65.92 2klb h ILE 20 Cb 0.64 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 2klb h ILE 20 CO 0.04 0.03 0.53 -0.29 0.00 0.00 0.00 178.15 178.46 2klb h ILE 21 N -0.94 0.90 -0.41 -0.67 2.10 -1.02 -0.59 117.51 116.88 2klb h ILE 21 Ca -0.08 -0.29 0.08 0.00 1.08 0.00 0.00 64.86 65.65 2klb h ILE 21 Cb 0.66 -0.03 -0.08 0.00 -1.09 0.00 0.00 36.82 36.28 2klb h ILE 21 CO 0.13 0.16 -0.13 -1.13 -1.08 0.00 0.00 178.15 176.10 2klb h ASN 22 N 0.85 -0.46 0.10 2.19 -0.73 -1.44 0.75 115.58 116.84 2klb h ASN 22 Ca 0.44 0.13 -0.26 0.00 1.87 0.00 0.00 56.30 58.47 2klb h ASN 22 Cb 0.43 0.29 0.02 0.00 0.27 0.00 0.00 38.32 39.32 2klb h ASN 22 CO -0.26 -0.16 -1.06 1.23 -0.37 0.00 0.00 177.43 176.80 2klb h GLY 23 N -0.04 0.71 1.03 1.57 0.00 -1.26 -2.48 103.07 102.59 2klb h GLY 23 Ca 0.20 -1.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.15 2klb h GLY 23 CO -0.44 1.13 -0.11 -2.22 0.00 0.00 0.00 176.54 174.90 2klb h ILE 24 N 0.34 1.27 -0.03 2.60 1.08 -0.88 -0.47 117.51 121.42 2klb h ILE 24 Ca -0.13 -1.23 -0.14 0.00 -0.39 0.00 0.00 64.86 62.97 2klb h ILE 24 Cb 1.71 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 36.59 2klb h ILE 24 CO 0.20 0.42 -0.61 0.00 -0.69 0.00 0.00 178.15 177.48 2klb h THR 25 N 0.71 1.42 -0.74 -0.27 1.03 -0.96 -0.88 112.91 113.22 2klb h THR 25 Ca 0.11 -2.05 0.02 0.00 -0.01 0.00 0.00 66.41 64.49 2klb h THR 25 Cb 0.66 2.08 -0.04 0.00 -1.07 0.00 0.00 68.15 69.77 2klb h THR 25 CO 0.05 0.59 0.47 0.50 -0.01 0.00 0.00 175.52 177.12 2klb h LYS 26 N 0.07 0.91 0.00 0.00 3.11 -1.18 -1.10 116.57 118.39 2klb h LYS 26 Ca -0.01 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.72 2klb h LYS 26 Cb 1.09 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 2klb h LYS 26 CO 0.09 0.60 -0.27 1.15 -2.81 0.00 0.00 179.45 178.21 2klb h THR 27 N 0.93 0.94 0.00 1.00 2.02 -0.81 -3.47 112.91 113.52 2klb h THR 27 Ca 0.29 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2klb h THR 27 Cb -0.02 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2klb h THR 27 CO -0.10 0.26 0.00 0.61 0.37 0.00 0.00 175.52 176.66 2klb n GLY 28 N -0.46 0.97 0.11 2.16 0.00 -0.42 -5.02 105.19 102.53 2klb n GLY 28 Ca -0.02 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.05 1.51 0.00 1.61 0.31 -0.43 -4.99 118.33 114.29 2klb n VAL 29 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2klb n VAL 29 Cb 0.00 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 30.86 2klb n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2klb n GLY 30 N 1.39 -1.22 3.86 2.92 0.00 -1.20 -4.45 105.19 106.48 2klb n GLY 30 Ca -0.35 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.10 2.39 -0.25 1.61 -7.23 -1.24 -0.30 120.40 114.28 2klb s VAL 31 Ca 0.00 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2klb s VAL 31 Cb 0.00 -2.83 0.07 0.00 0.56 0.00 0.00 36.38 34.18 2klb s VAL 31 CO 0.00 0.00 -0.00 -1.81 -0.31 0.00 0.00 175.10 172.98 2klb s ASP 32 N -4.12 3.80 -0.18 4.85 1.01 -0.84 -4.43 116.67 116.76 2klb s ASP 32 Ca 0.44 -1.29 -0.18 0.00 0.71 0.00 0.00 52.55 52.24 2klb s ASP 32 Cb -0.02 -1.06 -0.04 0.00 1.01 0.00 0.00 42.92 42.82 2klb s ASP 32 CO 0.26 -0.29 0.48 0.68 0.21 0.00 0.00 175.17 176.51 2klb s VAL 33 N 1.47 5.15 -0.12 -1.27 -7.23 -1.26 -0.76 120.40 116.38 2klb s VAL 33 Ca -0.01 0.90 0.02 0.00 -1.81 0.00 0.00 61.98 61.09 2klb s VAL 33 Cb -0.18 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 32.96 2klb s VAL 33 CO -0.10 0.23 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.04 2klb s VAL 34 N 1.30 1.77 -0.94 1.32 1.01 0.12 -4.95 120.40 120.04 2klb s VAL 34 Ca 0.23 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 2klb s VAL 34 Cb -0.15 -1.58 0.18 0.00 0.00 0.00 0.00 36.38 34.83 2klb s VAL 34 CO 0.09 0.50 1.02 1.51 0.00 0.00 0.00 175.10 178.21 2klb s ASP 35 N 0.81 6.80 0.00 3.32 -4.77 -1.26 -1.47 116.67 120.10 2klb s ASP 35 Ca -0.09 -2.55 0.15 0.00 -3.30 0.00 0.00 52.55 46.76 2klb s ASP 35 Cb -0.16 -2.31 0.81 0.00 -1.09 0.00 0.00 42.92 40.18 2klb s ASP 35 CO 0.00 -0.76 1.38 0.00 0.70 0.00 0.00 175.17 176.49 2klb n LEU 36 N 5.07 0.00 -0.08 2.11 -0.00 -0.70 -1.93 117.00 121.47 2klb n LEU 36 Ca 0.21 0.18 0.14 0.00 -0.00 0.00 0.00 56.01 56.54 2klb n LEU 36 Cb 0.47 -0.18 0.77 0.00 -0.00 0.00 0.00 43.42 44.48 2klb n LEU 36 CO 0.44 -0.09 1.00 0.61 -0.00 0.00 0.00 177.39 179.35 2klb n GLY 37 N -0.03 -0.84 3.76 1.47 0.00 -1.23 -4.63 105.19 103.69 2klb n GLY 37 Ca 0.09 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.99 4.05 -1.05 4.61 0.00 -0.81 -4.29 121.76 122.27 2klb s ALA 38 Ca 0.41 -0.66 -0.24 0.00 0.00 0.00 0.00 51.96 51.47 2klb s ALA 38 Cb 0.19 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.20 2klb s ALA 38 CO 0.32 -0.07 1.98 0.00 0.00 0.00 0.00 175.76 177.99 2klb s ALA 39 N -2.85 1.60 0.96 0.00 0.00 -1.26 -4.95 121.76 115.25 2klb s ALA 39 Ca 0.11 -1.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.16 2klb s ALA 39 Cb 0.02 -4.63 0.17 0.00 0.00 0.00 0.00 23.12 18.68 2klb s ALA 39 CO 0.06 -5.24 1.10 0.14 0.00 0.00 0.00 175.76 171.82 2klb s VAL 40 N 11.30 2.31 0.31 0.00 -7.23 -1.26 -5.06 120.40 120.76 2klb s VAL 40 Ca 0.71 0.10 -0.19 0.00 -1.81 0.00 0.00 61.98 60.79 2klb s VAL 40 Cb -0.04 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.67 2klb s VAL 40 CO 0.08 -0.13 0.73 -0.62 -0.31 0.00 0.00 175.10 174.85 2klb s ASP 41 N -2.85 -0.16 0.50 4.85 2.15 -1.26 -5.05 116.67 114.85 2klb s ASP 41 Ca 0.66 -0.79 0.20 0.00 0.43 0.00 0.00 52.55 53.04 2klb s ASP 41 Cb -0.22 0.76 1.25 0.00 -0.30 0.00 0.00 42.92 44.41 2klb s ASP 41 CO 0.59 -1.44 2.01 -0.07 -0.17 0.00 0.00 175.17 176.10 2klb h LEU 42 N 2.01 0.13 -1.47 -1.34 -0.00 -1.97 0.19 115.31 112.86 2klb h LEU 42 Ca -0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.64 2klb h LEU 42 Cb 1.25 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 2klb h LEU 42 CO 0.29 0.08 0.18 1.56 -0.00 0.00 0.00 178.44 180.55 2klb h GLN 43 N 0.14 0.54 0.03 1.13 1.08 -2.00 0.09 115.11 116.12 2klb h GLN 43 Ca 0.22 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 2klb h GLN 43 Cb 0.69 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2klb h GLN 43 CO -0.03 0.43 -0.19 1.49 -0.95 0.00 0.00 178.83 179.58 2klb h GLU 44 N 0.55 0.06 -1.00 1.46 4.22 -1.11 -3.32 114.58 115.43 2klb h GLU 44 Ca 0.14 -0.10 0.14 0.00 0.08 0.00 0.00 59.36 59.62 2klb h GLU 44 Cb 0.07 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 2klb h GLU 44 CO -0.02 1.05 0.62 1.25 -2.18 0.00 0.00 179.01 179.72 2klb h LEU 45 N -0.88 0.87 0.28 1.64 7.12 -0.95 -0.39 115.31 123.01 2klb h LEU 45 Ca -0.04 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 2klb h LEU 45 Cb 1.13 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.16 2klb h LEU 45 CO 0.02 0.42 -0.15 -0.09 -0.13 0.00 0.00 178.44 178.51 2klb h ARG 46 N 0.91 -0.39 -0.71 1.25 2.43 -1.12 -0.93 114.38 115.81 2klb h ARG 46 Ca 0.52 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.67 2klb h ARG 46 Cb 0.61 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2klb h ARG 46 CO -0.30 -0.26 0.25 0.93 -1.51 0.00 0.00 179.97 179.08 2klb h GLU 47 N -0.40 1.08 -0.00 0.20 4.39 -1.53 -2.04 114.58 116.27 2klb h GLU 47 Ca -0.03 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.49 2klb h GLU 47 Cb 0.32 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 2klb h GLU 47 CO 0.05 0.90 -0.18 1.25 -1.16 0.00 0.00 179.01 179.87 2klb h LEU 48 N 1.05 -0.54 -0.57 1.33 5.85 -0.86 -1.88 115.31 119.68 2klb h LEU 48 Ca 0.24 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2klb h LEU 48 Cb 0.25 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2klb h LEU 48 CO -0.01 -0.25 0.37 0.58 -0.34 0.00 0.00 178.44 178.79 2klb h VAL 49 N -0.30 1.15 -0.81 1.05 2.07 -0.99 0.43 116.25 118.85 2klb h VAL 49 Ca 0.06 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.32 2klb h VAL 49 Cb 0.37 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 2klb h VAL 49 CO -0.17 0.15 0.53 1.23 0.02 0.00 0.00 177.57 179.33 2klb h GLY 50 N 0.78 1.15 -2.57 2.17 0.00 -1.13 -2.40 103.07 101.06 2klb h GLY 50 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2klb h GLY 50 CO -0.04 0.32 0.00 0.54 0.00 0.00 0.00 176.54 177.36 2klb n ARG 51 N -4.46 2.65 0.00 4.80 3.00 -0.73 -4.65 116.66 117.29 2klb n ARG 51 Ca 0.11 -2.54 0.00 0.00 -0.01 0.00 0.00 57.85 55.41 2klb n ARG 51 Cb 0.14 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.04 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 0.29 -2.85 0.00 1.35 -1.83 -3.41 112.91 106.46 2klb h THR 53 Ca 0.00 -0.10 -0.14 0.00 -0.55 0.00 0.00 66.41 65.63 2klb h THR 53 Cb 0.07 -0.01 -0.26 0.00 -1.73 0.00 0.00 68.15 66.22 2klb h THR 53 CO 0.00 0.05 -0.32 -0.83 -0.25 0.00 0.00 175.52 174.17 2klb s GLY 54 N -4.13 -0.27 0.00 5.82 0.00 -1.17 -3.13 107.32 104.45 2klb s GLY 54 Ca -0.11 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.73 2klb s GLY 54 CO 0.78 1.07 -0.01 1.08 0.00 0.00 0.00 173.10 176.03 2klb s LEU 55 N 0.55 2.03 -0.19 0.66 1.43 -0.97 -1.17 118.68 121.03 2klb s LEU 55 Ca -0.03 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2klb s LEU 55 Cb -0.05 -0.04 0.03 0.00 0.03 0.00 0.00 46.19 46.17 2klb s LEU 55 CO -0.03 -0.03 -0.18 0.68 0.23 0.00 0.00 176.35 177.02 2klb s VAL 56 N -0.21 2.03 -0.15 -1.59 -7.23 -0.32 0.03 120.40 112.95 2klb s VAL 56 Ca -0.02 -1.04 -0.05 0.00 -1.81 0.00 0.00 61.98 59.07 2klb s VAL 56 Cb -0.02 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 2klb s VAL 56 CO -0.00 0.42 0.00 -0.63 -0.31 0.00 0.00 175.10 174.59 2klb s ILE 57 N 1.28 4.28 -0.87 -0.62 1.09 0.14 -2.51 121.20 123.99 2klb s ILE 57 Ca 0.02 -0.23 0.01 0.00 -1.10 0.00 0.00 60.65 59.35 2klb s ILE 57 Cb -0.14 -2.88 0.33 0.00 -1.06 0.00 0.00 42.46 38.71 2klb s ILE 57 CO -0.11 0.50 1.61 0.61 -0.10 0.00 0.00 174.94 177.45 2klb n GLY 58 N 3.27 5.94 1.87 6.18 0.00 -1.26 -2.01 105.19 119.18 2klb n GLY 58 Ca -0.17 -2.63 0.11 0.00 0.00 0.00 0.00 46.02 43.33 2klb n GLY 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2klb n MET 59 N -0.19 -1.63 -3.43 1.61 2.81 -1.26 -4.71 117.12 110.33 2klb n MET 59 Ca 0.44 1.08 -0.26 0.00 -1.81 0.00 0.00 57.70 57.14 2klb n MET 59 Cb 0.31 -1.99 -0.11 0.00 -0.71 0.00 0.00 33.22 30.72 2klb n MET 59 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2klb s SER 60 N -5.19 2.39 0.43 7.83 1.04 -1.26 -5.04 113.70 113.90 2klb s SER 60 Ca 0.00 -2.16 -0.25 0.00 0.48 0.00 0.00 55.95 54.02 2klb s SER 60 Cb 0.00 -0.18 -0.10 0.00 0.10 0.00 0.00 66.02 65.84 2klb s SER 60 CO 0.00 -0.28 1.22 -2.65 0.98 0.00 0.00 173.24 172.51 2klb n PRO 61 N 3.94 1.79 -0.21 4.02 -0.02 -1.26 -4.55 135.00 138.72 2klb n PRO 61 Ca 0.14 0.64 -0.05 0.00 -2.02 0.00 0.00 63.50 62.21 2klb n PRO 61 Cb 0.40 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 2klb n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klb n ALA 62 N -0.31 -0.31 0.11 3.55 0.00 -0.57 0.61 120.51 123.59 2klb n ALA 62 Ca 0.07 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.80 2klb n ALA 62 Cb 0.40 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 2klb n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klb h ALA 63 N -0.16 -0.38 0.00 0.00 0.00 -1.91 -2.20 119.26 114.62 2klb h ALA 63 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2klb h ALA 63 Cb 0.20 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2klb h ALA 63 CO -0.46 -0.75 -0.14 1.03 0.00 0.00 0.00 179.25 178.93 2klb h SER 64 N -0.42 0.00 -0.38 0.00 0.87 -1.75 -3.08 113.55 108.80 2klb h SER 64 Ca 0.02 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2klb h SER 64 Cb 0.43 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2klb h SER 64 CO -0.11 0.14 0.25 0.00 -0.53 0.00 0.00 176.83 176.58 2klb h ALA 65 N 1.86 1.90 -0.10 6.23 0.00 0.84 -2.02 119.26 127.97 2klb h ALA 65 Ca -0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2klb h ALA 65 Cb 0.35 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2klb h ALA 65 CO 0.02 0.04 -0.24 0.00 0.00 0.00 0.00 179.25 179.07 2klb h ALA 66 N 1.79 -0.23 -0.08 0.00 0.00 -1.59 0.12 119.26 119.27 2klb h ALA 66 Ca 0.16 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2klb h ALA 66 Cb 0.18 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2klb h ALA 66 CO -0.04 -0.71 -0.55 0.77 0.00 0.00 0.00 179.25 178.73 2klb h SER 67 N -0.31 0.26 -0.19 0.00 0.02 -1.67 -3.19 113.55 108.47 2klb h SER 67 Ca 0.09 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2klb h SER 67 Cb 0.45 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2klb h SER 67 CO -0.28 0.77 0.04 0.40 -1.14 0.00 0.00 176.83 176.61 2klb h ILE 68 N 0.18 1.21 -0.79 3.27 2.04 -0.87 -3.16 117.51 119.40 2klb h ILE 68 Ca 0.00 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.19 2klb h ILE 68 Cb 1.03 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 2klb h ILE 68 CO 0.09 0.21 0.50 1.56 0.00 0.00 0.00 178.15 180.51 2klb h GLN 69 N 0.10 0.96 -0.90 2.37 4.20 -0.81 0.24 115.11 121.28 2klb h GLN 69 Ca 0.06 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.81 2klb h GLN 69 Cb 0.29 -0.22 -0.07 0.00 0.30 0.00 0.00 27.48 27.79 2klb h GLN 69 CO 0.00 0.64 0.58 0.78 -0.67 0.00 0.00 178.83 180.16 2klb h GLY 70 N 0.99 1.31 0.72 3.46 0.00 -1.54 -1.90 103.07 106.11 2klb h GLY 70 Ca 0.31 -0.36 -0.26 0.00 0.00 0.00 0.00 47.33 47.01 2klb h GLY 70 CO -0.10 0.19 -1.28 0.00 0.00 0.00 0.00 176.54 175.35 2klb h ALA 71 N 1.56 0.05 -0.94 3.60 0.00 -1.38 -3.37 119.26 118.78 2klb h ALA 71 Ca 0.43 -0.95 0.15 0.00 0.00 0.00 0.00 54.91 54.53 2klb h ALA 71 Cb 0.46 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 2klb h ALA 71 CO -0.19 0.69 0.55 1.25 0.00 0.00 0.00 179.25 181.55 2klb h LEU 72 N -0.23 0.73 -1.26 0.00 5.85 -0.23 0.89 115.31 121.07 2klb h LEU 72 Ca -0.25 0.08 0.20 0.00 0.84 0.00 0.00 57.88 58.74 2klb h LEU 72 Cb 1.81 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.70 2klb h LEU 72 CO 0.13 0.33 0.61 -1.28 -0.34 0.00 0.00 178.44 177.89 2klb h SER 73 N 0.79 0.60 0.19 1.25 0.87 -1.52 -1.07 113.55 114.66 2klb h SER 73 Ca 0.50 0.07 -0.33 0.00 -1.23 0.00 0.00 61.79 60.80 2klb h SER 73 Cb 0.65 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2klb h SER 73 CO -0.33 0.22 -1.62 0.74 -0.53 0.00 0.00 176.83 175.31 2klb h THR 74 N 0.59 1.02 -0.50 2.23 2.02 -1.10 -3.38 112.91 113.80 2klb h THR 74 Ca 0.53 -2.52 0.07 0.00 0.77 0.00 0.00 66.41 65.26 2klb h THR 74 Cb 1.05 2.82 -0.06 0.00 -1.74 0.00 0.00 68.15 70.21 2klb h THR 74 CO -0.28 0.82 0.16 0.40 0.37 0.00 0.00 175.52 177.00 2klb h ILE 75 N 0.03 0.80 -0.58 3.11 2.04 -0.35 -1.86 117.51 120.70 2klb h ILE 75 Ca -0.32 -0.11 0.11 0.00 1.00 0.00 0.00 64.86 65.54 2klb h ILE 75 Cb 2.04 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 38.48 2klb h ILE 75 CO 0.17 0.06 0.11 -0.07 0.00 0.00 0.00 178.15 178.42 2klb h LEU 76 N 0.33 -0.02 -0.69 1.44 3.38 -1.39 -0.23 115.31 118.13 2klb h LEU 76 Ca 0.24 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.22 2klb h LEU 76 Cb 0.28 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2klb h LEU 76 CO -0.27 0.00 -0.48 1.23 0.09 0.00 0.00 178.44 179.01 2klb h GLY 77 N 0.24 0.00 1.16 0.83 0.00 -1.63 -3.30 103.07 100.38 2klb h GLY 77 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.34 2klb h GLY 77 CO -0.40 0.00 -1.20 1.76 0.00 0.00 0.00 176.54 176.71 2klb h SER 78 N 0.00 0.83 -4.32 0.19 0.02 -0.46 -3.47 113.55 106.34 2klb h SER 78 Ca -0.00 -0.84 -0.47 0.00 -0.84 0.00 0.00 61.79 59.64 2klb h SER 78 Cb 1.08 -0.26 0.12 0.00 0.14 0.00 0.00 62.40 63.47 2klb h SER 78 CO 0.06 1.59 0.33 0.68 -1.14 0.00 0.00 176.83 178.35 2klb s VAL 79 N -2.92 2.22 0.58 2.27 -7.23 -0.20 -4.97 120.40 110.15 2klb s VAL 79 Ca -0.10 0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 60.02 2klb s VAL 79 Cb 0.05 -2.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 2klb s VAL 79 CO 0.92 -0.09 1.00 0.21 -0.31 0.00 0.00 175.10 176.83 2klb s ASN 80 N -4.11 6.34 0.00 4.85 3.04 -1.26 -4.98 114.94 118.82 2klb s ASN 80 Ca 0.63 1.43 0.00 0.00 0.04 0.00 0.00 52.86 54.95 2klb s ASN 80 Cb -0.14 -2.46 0.00 0.00 -1.54 0.00 0.00 41.25 37.11 2klb s ASN 80 CO 0.53 -0.77 0.25 1.21 -3.04 0.00 0.00 177.10 175.28 2klb n GLU 81 N -2.38 0.00 -3.11 0.43 2.13 -1.26 -4.64 120.64 111.80 2klb n GLU 81 Ca 0.06 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.43 2klb n GLU 81 Cb 0.54 -0.71 -0.05 0.00 0.27 0.00 0.00 31.44 31.50 2klb n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2klb s LYS 82 N -0.49 3.06 0.00 5.31 -2.85 -1.26 -4.95 119.74 118.55 2klb s LYS 82 Ca 0.00 -1.23 0.00 0.00 -1.00 0.00 0.00 55.97 53.74 2klb s LYS 82 Cb 0.00 -4.24 0.00 0.00 -2.06 0.00 0.00 37.83 31.53 2klb s LYS 82 CO 0.00 -1.49 0.00 1.04 0.10 0.00 0.00 175.35 175.00 2klb n GLN 83 N 6.34 2.70 -4.56 1.78 3.00 -1.26 -5.07 117.38 120.31 2klb n GLN 83 Ca -0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.56 2klb n GLN 83 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.55 2klb n GLN 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2klb s ALA 84 N -2.00 2.95 0.29 -1.58 0.00 -1.18 -3.42 121.76 116.82 2klb s ALA 84 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2klb s ALA 84 Cb 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.71 2klb s ALA 84 CO 0.00 0.39 0.09 0.14 0.00 0.00 0.00 175.76 176.39 2klb s VAL 85 N -0.21 0.71 -0.18 0.00 -7.23 -0.17 -2.30 120.40 111.02 2klb s VAL 85 Ca 0.03 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2klb s VAL 85 Cb -0.13 -2.65 0.08 0.00 0.56 0.00 0.00 36.38 34.24 2klb s VAL 85 CO 0.03 0.00 0.17 -0.83 -0.31 0.00 0.00 175.10 174.15 2klb s GLY 86 N -3.39 0.14 -0.35 2.32 0.00 0.10 -0.47 107.32 105.68 2klb s GLY 86 Ca 0.36 0.08 -0.12 0.00 0.00 0.00 0.00 44.72 45.04 2klb s GLY 86 CO 0.15 1.95 0.23 -0.42 0.00 0.00 0.00 173.10 175.01 2klb s ILE 87 N 2.25 5.12 -0.24 0.90 -1.09 -1.26 -0.68 121.20 126.20 2klb s ILE 87 Ca 0.05 -0.35 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 2klb s ILE 87 Cb -0.15 -3.67 0.06 0.00 -1.58 0.00 0.00 42.46 37.11 2klb s ILE 87 CO -0.10 -0.05 -0.09 0.72 -1.23 0.00 0.00 174.94 174.19 2klb s PHE 88 N 1.69 2.77 -1.24 3.97 -0.71 -0.85 -3.45 117.98 120.16 2klb s PHE 88 Ca 0.05 -1.98 -0.19 0.00 -1.04 0.00 0.00 56.93 53.77 2klb s PHE 88 Cb -0.18 -1.74 0.05 0.00 -1.21 0.00 0.00 43.02 39.94 2klb s PHE 88 CO 0.09 -0.82 1.72 -1.21 -1.34 0.00 0.00 175.22 173.67 2klb s GLU 89 N 1.27 3.75 0.00 1.99 2.02 -1.26 -4.13 118.70 122.34 2klb s GLU 89 Ca -0.06 -1.75 0.29 0.00 0.02 0.00 0.00 54.97 53.47 2klb s GLU 89 Cb -0.19 -5.47 1.25 0.00 0.10 0.00 0.00 34.13 29.82 2klb s GLU 89 CO -0.06 -2.45 1.93 -2.37 0.02 0.00 0.00 175.26 172.33 2klb n THR 90 N 6.65 0.02 0.00 3.63 5.66 -1.26 -3.38 114.28 125.60 2klb n THR 90 Ca 0.46 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.46 2klb n THR 90 Cb 0.47 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.74 2klb n THR 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2klb n GLY 91 N 1.44 -0.32 2.27 1.09 0.00 -1.26 -4.23 105.19 104.18 2klb n GLY 91 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 2.08 0.94 0.00 -0.02 0.00 -1.25 -3.92 105.19 103.03 2klb n GLY 92 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2klb n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klb n GLY 93 N -1.64 0.43 3.64 -0.02 0.00 -1.26 -4.73 105.19 101.61 2klb n GLY 93 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.31 -0.78 -0.04 1.61 2.15 -1.26 -5.10 116.67 111.93 2klb s ASP 94 Ca 0.00 1.25 -0.29 0.00 0.43 0.00 0.00 52.55 53.94 2klb s ASP 94 Cb 0.00 1.33 0.09 0.00 -0.30 0.00 0.00 42.92 44.04 2klb s ASP 94 CO 0.00 -0.20 0.78 1.51 -0.17 0.00 0.00 175.17 177.10 2klb s ASP 95 N 1.54 -0.53 -0.21 -0.34 1.47 -1.26 -1.52 116.67 115.82 2klb s ASP 95 Ca -0.10 0.43 -0.08 0.00 1.18 0.00 0.00 52.55 53.98 2klb s ASP 95 Cb -0.05 0.46 -0.19 0.00 -0.34 0.00 0.00 42.92 42.81 2klb s ASP 95 CO -0.18 -0.59 0.00 -0.62 0.68 0.00 0.00 175.17 174.46 2klb n GLU 96 N 0.52 0.65 0.00 2.11 4.71 -1.26 -4.60 120.64 122.77 2klb n GLU 96 Ca -0.15 0.29 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 2klb n GLU 96 Cb 0.59 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 2klb n GLU 96 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2klb n PRO 97 N -3.75 0.56 0.14 3.49 -0.04 -1.26 -4.24 135.00 129.90 2klb n PRO 97 Ca -0.41 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 62.92 2klb n PRO 97 Cb 0.93 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 33.06 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 0.15 0.58 0.54 0.52 2.10 -1.98 -2.12 117.51 117.30 2klb h ILE 98 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 2klb h ILE 98 Cb 0.37 0.58 0.01 0.00 -1.09 0.00 0.00 36.82 36.69 2klb h ILE 98 CO 0.00 0.00 -0.26 0.44 -1.08 0.00 0.00 178.15 177.25 2klb h ASP 99 N -0.42 -0.62 -0.65 2.19 3.32 -1.97 -1.97 116.42 116.30 2klb h ASP 99 Ca -0.00 -0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.13 2klb h ASP 99 Cb 0.39 0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 2klb h ASP 99 CO -0.04 -0.38 0.28 -0.65 -1.72 0.00 0.00 179.24 176.73 2klb h PRO 100 N -0.82 0.47 0.45 3.56 0.11 -1.89 0.08 132.00 133.95 2klb h PRO 100 Ca -0.07 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2klb h PRO 100 Cb 0.60 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2klb h PRO 100 CO 0.12 0.31 -0.21 1.25 -0.21 0.00 0.00 178.00 179.26 2klb h LEU 101 N 0.49 -0.51 -1.14 2.35 5.85 -1.37 -2.13 115.31 118.85 2klb h LEU 101 Ca 0.33 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.07 2klb h LEU 101 Cb 0.38 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2klb h LEU 101 CO -0.29 -0.34 0.59 -0.07 -0.34 0.00 0.00 178.44 177.98 2klb h LEU 102 N -0.62 0.98 -1.06 2.25 3.38 -1.07 -2.27 115.31 116.89 2klb h LEU 102 Ca -0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2klb h LEU 102 Cb 0.47 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2klb h LEU 102 CO 0.10 0.69 0.28 -1.28 0.09 0.00 0.00 178.44 178.32 2klb h SER 103 N 1.15 0.86 -0.29 -0.43 0.87 -0.83 0.03 113.55 114.91 2klb h SER 103 Ca 0.34 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2klb h SER 103 Cb -0.05 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 2klb h SER 103 CO -0.09 0.76 0.13 0.50 -0.53 0.00 0.00 176.83 177.60 2klb h LYS 104 N 0.94 0.28 -0.21 2.24 1.63 -0.78 -0.55 116.57 120.10 2klb h LYS 104 Ca 0.22 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.97 2klb h LYS 104 Cb 0.15 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2klb h LYS 104 CO -0.02 0.18 -0.02 0.74 -3.45 0.00 0.00 179.45 176.88 2klb h PHE 105 N 0.29 0.42 0.24 1.91 -1.00 -1.31 -2.93 116.94 114.56 2klb h PHE 105 Ca 0.12 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 2klb h PHE 105 Cb 0.05 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.51 2klb h PHE 105 CO -0.10 0.59 -0.11 0.00 -1.61 0.00 0.00 178.31 177.07 2klb h ARG 106 N 0.13 -0.31 -0.44 1.51 2.47 -0.88 -0.59 114.38 116.28 2klb h ARG 106 Ca 0.06 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 2klb h ARG 106 Cb 0.44 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 2klb h ARG 106 CO 0.01 -0.11 0.10 -0.91 0.56 0.00 0.00 179.97 179.62 2klb h ASN 107 N -0.45 0.61 1.42 7.04 4.21 -1.20 -1.52 115.58 125.70 2klb h ASN 107 Ca -0.03 -0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.38 2klb h ASN 107 Cb 0.34 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2klb h ASN 107 CO 0.05 0.62 0.00 -0.07 -1.29 0.00 0.00 177.43 176.74 2klb h LEU 108 N 0.65 0.00 -0.97 1.61 3.38 -1.48 -3.48 115.31 115.02 2klb h LEU 108 Ca 0.15 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2klb h LEU 108 Cb 0.25 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.05 2klb h LEU 108 CO -0.00 0.00 -0.24 0.61 0.09 0.00 0.00 178.44 178.90 2klb n GLY 109 N 1.05 0.43 3.57 0.83 0.00 -0.57 -4.72 105.19 105.78 2klb n GLY 109 Ca 0.05 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.21 3.37 0.05 0.99 1.43 -0.33 -4.85 118.68 116.13 2klb s LEU 110 Ca 0.20 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.44 2klb s LEU 110 Cb -0.09 -2.94 -0.08 0.00 0.03 0.00 0.00 46.19 43.11 2klb s LEU 110 CO 0.25 -1.93 1.68 0.28 0.23 0.00 0.00 176.35 176.86 2klb s THR 111 N 7.17 3.12 0.01 5.49 -1.32 -1.22 -4.74 115.64 124.15 2klb s THR 111 Ca 0.61 0.48 -0.19 0.00 -1.21 0.00 0.00 61.69 61.38 2klb s THR 111 Cb -0.13 -3.31 -0.06 0.00 -1.51 0.00 0.00 72.50 67.49 2klb s THR 111 CO 0.25 -0.01 0.55 0.42 -2.21 0.00 0.00 174.62 173.61 2klb s THR 112 N 3.02 4.89 0.10 5.08 -4.23 -1.26 -1.00 115.64 122.25 2klb s THR 112 Ca 0.75 1.15 -0.28 0.00 -1.18 0.00 0.00 61.69 62.13 2klb s THR 112 Cb -0.39 -3.88 -0.11 0.00 1.34 0.00 0.00 72.50 69.46 2klb s THR 112 CO 0.33 0.48 1.64 0.00 -0.54 0.00 0.00 174.62 176.53 2klb h ALA 113 N 5.24 -0.52 -2.75 3.99 0.00 -1.10 -3.44 119.26 120.68 2klb h ALA 113 Ca -0.47 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 2klb h ALA 113 Cb 1.21 0.37 -0.27 0.00 0.00 0.00 0.00 17.79 19.10 2klb h ALA 113 CO 0.67 -0.82 -0.34 0.12 0.00 0.00 0.00 179.25 178.88 2klb s PHE 114 N -6.07 -0.52 -0.58 0.00 2.19 -1.26 -4.92 117.98 106.82 2klb s PHE 114 Ca -0.16 1.15 -0.27 0.00 0.33 0.00 0.00 56.93 57.98 2klb s PHE 114 Cb 0.07 0.21 0.00 0.00 -1.31 0.00 0.00 43.02 41.99 2klb s PHE 114 CO 0.64 -0.30 1.54 -1.25 1.83 0.00 0.00 175.22 177.68 2klb s PRO 115 N 1.24 3.12 0.94 10.12 0.04 -1.26 -4.48 135.00 144.72 2klb s PRO 115 Ca -0.08 0.48 -0.16 0.00 0.04 0.00 0.00 61.00 61.28 2klb s PRO 115 Cb -0.08 -4.20 0.21 0.00 0.04 0.00 0.00 34.50 30.47 2klb s PRO 115 CO -0.10 -2.16 1.28 0.00 0.04 0.00 0.00 177.00 176.06 2klb n ALA 116 N 10.39 -1.42 -2.68 8.56 0.00 -1.22 -5.11 120.51 129.03 2klb n ALA 116 Ca 0.14 -1.68 -0.19 0.00 0.00 0.00 0.00 53.44 51.71 2klb n ALA 116 Cb 0.50 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 2klb n ALA 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2klb s ILE 117 N -3.78 0.98 0.52 0.00 2.07 -1.26 -4.84 121.20 114.88 2klb s ILE 117 Ca 0.73 -0.90 -0.20 0.00 -1.41 0.00 0.00 60.65 58.87 2klb s ILE 117 Cb -0.02 -0.89 -0.07 0.00 0.13 0.00 0.00 42.46 41.61 2klb s ILE 117 CO 0.51 -0.00 1.09 0.00 -1.91 0.00 0.00 174.94 174.62 2klb s ARG 118 N -1.02 3.55 0.37 3.50 1.70 -1.26 -4.40 118.95 121.39 2klb s ARG 118 Ca 0.01 1.48 0.08 0.00 -0.47 0.00 0.00 55.73 56.82 2klb s ARG 118 Cb -0.07 -2.05 -0.03 0.00 -0.57 0.00 0.00 34.95 32.24 2klb s ARG 118 CO 0.01 -0.66 0.32 0.42 -1.08 0.00 0.00 175.30 174.30 2klb s ILE 119 N -1.89 3.13 0.01 4.99 -1.09 -1.22 -4.95 121.20 120.18 2klb s ILE 119 Ca 0.70 -1.38 -0.12 0.00 -2.23 0.00 0.00 60.65 57.62 2klb s ILE 119 Cb -0.20 -3.09 -0.06 0.00 -1.58 0.00 0.00 42.46 37.52 2klb s ILE 119 CO 0.24 -0.10 0.97 0.50 -1.23 0.00 0.00 174.94 175.32 2klb h LYS 120 N 1.17 -0.41 0.00 2.79 1.63 -1.85 -3.32 116.57 116.59 2klb h LYS 120 Ca -0.43 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2klb h LYS 120 Cb 1.26 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2klb h LYS 120 CO 0.58 -0.27 0.00 1.04 -3.45 0.00 0.00 179.45 177.35 2klb n GLN 121 N -3.36 0.00 -3.24 1.90 6.02 -1.25 -4.29 117.38 113.16 2klb n GLN 121 Ca -0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 2klb n GLN 121 Cb 0.17 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.35 2klb n GLN 121 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2klb s THR 122 N -2.00 5.06 0.40 5.09 -4.23 -1.26 -4.82 115.64 113.87 2klb s THR 122 Ca 0.00 0.72 -0.27 0.00 -1.18 0.00 0.00 61.69 60.97 2klb s THR 122 Cb 0.00 -3.86 -0.10 0.00 1.34 0.00 0.00 72.50 69.88 2klb s THR 122 CO 0.00 0.01 1.42 -2.16 -0.54 0.00 0.00 174.62 173.35 2klb s PRO 123 N 2.33 3.98 0.60 3.99 0.04 -1.26 -5.00 135.00 139.67 2klb s PRO 123 Ca 0.20 2.43 -0.15 0.00 0.04 0.00 0.00 61.00 63.52 2klb s PRO 123 Cb -0.16 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 2klb s PRO 123 CO 0.10 -0.58 1.04 0.95 0.04 0.00 0.00 177.00 178.55 2klb s THR 124 N -1.17 4.09 0.40 1.26 -4.23 -1.26 -4.96 115.64 109.77 2klb s THR 124 Ca 0.56 0.90 0.12 0.00 -1.18 0.00 0.00 61.69 62.09 2klb s THR 124 Cb -0.44 -3.50 0.15 0.00 1.34 0.00 0.00 72.50 70.05 2klb s THR 124 CO 0.58 -0.67 1.92 -0.08 -0.54 0.00 0.00 174.62 175.83 2klb h GLU 125 N 0.26 0.10 -0.07 3.99 4.81 -2.03 -0.74 114.58 120.91 2klb h GLU 125 Ca -0.46 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2klb h GLU 125 Cb 1.21 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2klb h GLU 125 CO 0.59 0.31 0.15 -0.91 -0.73 0.00 0.00 179.01 178.41 2klb h ASN 126 N 0.10 0.00 0.40 1.04 4.21 -2.00 0.18 115.58 119.50 2klb h ASN 126 Ca 0.02 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 2klb h ASN 126 Cb 0.42 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2klb h ASN 126 CO 0.03 0.00 -0.16 0.74 -1.29 0.00 0.00 177.43 176.75 2klb h THR 127 N 0.00 0.69 -0.10 2.81 2.02 -1.50 0.47 112.91 117.30 2klb h THR 127 Ca 0.03 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 2klb h THR 127 Cb 0.34 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2klb h THR 127 CO -0.00 0.16 -0.03 1.88 0.37 0.00 0.00 175.52 177.90 2klb h TYR 128 N 0.00 0.21 -0.15 3.16 0.05 -1.10 -1.39 116.97 117.76 2klb h TYR 128 Ca -0.00 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 2klb h TYR 128 Cb 0.40 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 2klb h TYR 128 CO 0.00 0.50 0.01 0.87 -1.05 0.00 0.00 178.16 178.49 2klb h LYS 129 N -0.14 0.20 0.68 4.88 1.57 -1.45 0.31 116.57 122.63 2klb h LYS 129 Ca 0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2klb h LYS 129 Cb 0.44 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.71 2klb h LYS 129 CO 0.01 0.22 -0.32 1.25 -0.57 0.00 0.00 179.45 180.04 2klb h LEU 130 N 0.21 -0.77 -2.11 2.94 5.85 -0.82 -3.19 115.31 117.42 2klb h LEU 130 Ca 0.05 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2klb h LEU 130 Cb 0.13 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2klb h LEU 130 CO 0.00 -0.53 -0.07 0.00 -0.34 0.00 0.00 178.44 177.50 2klb h GLU 132 N 0.00 -0.01 0.00 0.00 4.81 -0.37 -0.23 114.58 118.78 2klb h GLU 132 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2klb h GLU 132 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2klb h GLU 132 CO 0.01 -0.01 -0.30 0.93 -0.73 0.00 0.00 179.01 178.92 2klb h GLU 133 N -0.01 0.00 0.28 1.92 5.08 -1.60 -2.62 114.58 117.63 2klb h GLU 133 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2klb h GLU 133 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2klb h GLU 133 CO -0.01 0.00 -0.14 0.00 -1.00 0.00 0.00 179.01 177.87 2klb h ALA 134 N 2.33 -0.38 -0.54 3.43 0.00 -1.28 0.12 119.26 122.94 2klb h ALA 134 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2klb h ALA 134 Cb 0.83 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2klb h ALA 134 CO 0.00 -0.59 0.03 0.78 0.00 0.00 0.00 179.25 179.47 2klb h GLY 135 N -0.62 1.01 0.98 0.00 0.00 -1.12 -2.36 103.07 100.96 2klb h GLY 135 Ca -0.04 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 2klb h GLY 135 CO 0.06 0.66 0.19 -0.84 0.00 0.00 0.00 176.54 176.61 2klb h THR 136 N 0.81 1.11 -0.53 4.70 2.02 -1.48 -0.25 112.91 119.29 2klb h THR 136 Ca 0.16 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 2klb h THR 136 Cb 0.49 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2klb h THR 136 CO 0.02 0.11 0.23 -0.78 0.37 0.00 0.00 175.52 175.47 2klb h ASP 137 N 0.40 0.71 -0.57 4.18 3.58 -0.74 0.42 116.42 124.41 2klb h ASP 137 Ca 0.11 -0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.46 2klb h ASP 137 Cb 0.01 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 40.83 2klb h ASP 137 CO -0.02 0.67 0.31 0.25 -2.88 0.00 0.00 179.24 177.56 2klb h LEU 138 N 0.71 0.46 -1.30 2.28 5.85 -1.30 -0.71 115.31 121.30 2klb h LEU 138 Ca 0.18 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2klb h LEU 138 Cb 0.16 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2klb h LEU 138 CO -0.02 0.31 0.21 1.23 -0.34 0.00 0.00 178.44 179.83 2klb h GLY 139 N 0.59 0.74 1.49 3.75 0.00 -0.38 -2.44 103.07 106.81 2klb h GLY 139 Ca 0.25 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 2klb h GLY 139 CO -0.16 0.33 -0.05 1.46 0.00 0.00 0.00 176.54 178.12 2klb h GLN 140 N 0.69 0.63 -0.21 4.80 4.20 0.84 0.11 115.11 126.17 2klb h GLN 140 Ca 0.17 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2klb h GLN 140 Cb 0.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2klb h GLN 140 CO -0.02 0.69 0.10 2.35 -0.67 0.00 0.00 178.83 181.28 2klb h TRP 141 N 0.59 0.30 0.50 2.96 7.01 -0.74 -0.74 115.95 125.83 2klb h TRP 141 Ca 0.11 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 2klb h TRP 141 Cb 0.45 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2klb h TRP 141 CO 0.02 0.30 -0.24 0.28 -2.79 0.00 0.00 178.44 176.01 2klb h VAL 142 N 0.20 0.49 0.00 2.65 2.07 -1.15 -2.45 116.25 118.06 2klb h VAL 142 Ca 0.07 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2klb h VAL 142 Cb 0.12 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2klb h VAL 142 CO -0.01 0.03 -0.14 0.00 0.02 0.00 0.00 177.57 177.48 2klb h THR 143 N -0.79 0.93 0.03 2.57 1.03 -1.02 0.06 112.91 115.72 2klb h THR 143 Ca -0.07 -0.49 -0.00 0.00 -0.01 0.00 0.00 66.41 65.84 2klb h THR 143 Cb 0.57 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 2klb h THR 143 CO 0.11 0.13 -0.01 -0.09 -0.01 0.00 0.00 175.52 175.65 2klb h ARG 144 N 0.00 -0.04 0.00 0.00 2.43 -1.03 0.53 114.38 116.27 2klb h ARG 144 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2klb h ARG 144 Cb 0.27 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2klb h ARG 144 CO 0.02 0.38 -0.48 0.22 -1.51 0.00 0.00 179.97 178.60 2klb h ASP 145 N -0.46 0.00 0.00 -3.80 3.58 -1.17 -3.34 116.42 111.23 2klb h ASP 145 Ca -0.00 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.08 2klb h ASP 145 Cb 0.43 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.41 2klb h ASP 145 CO 0.01 0.48 -2.36 -1.14 -2.88 0.00 0.00 179.24 173.34 2klb n ARG 146 N -3.92 0.76 0.00 0.28 0.63 -0.02 -5.05 116.66 109.34 2klb n ARG 146 Ca -0.01 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2klb n ARG 146 Cb 0.50 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.91 2klb n ARG 146 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2klb n LEU 147 N -2.82 0.00 -2.67 6.15 7.94 0.16 -5.04 117.00 120.73 2klb n LEU 147 Ca -0.34 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.52 2klb n LEU 147 Cb 1.11 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 45.03 2klb n LEU 147 CO 0.39 0.00 -0.60 -0.62 -1.11 0.00 0.00 177.39 175.45 2klb n GLU 148 N 0.00 -4.11 -0.03 1.96 -0.58 0.12 -4.81 120.64 113.19 2klb n GLU 148 Ca 0.00 3.15 -0.04 0.00 -0.42 0.00 0.00 57.16 59.85 2klb n GLU 148 Cb 0.00 -4.88 -0.02 0.00 -0.57 0.00 0.00 31.44 25.97 2klb n GLU 148 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2klb n HIS 149 N 1.50 0.00 -2.23 -0.32 -0.00 -1.26 -4.91 115.22 108.00 2klb n HIS 149 Ca -0.29 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 57.85 2klb n HIS 149 Cb 0.46 -0.20 -0.02 0.00 -0.12 0.00 0.00 29.99 30.11 2klb n HIS 149 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2klb n HIS 150 N -2.84 -0.22 -3.00 1.57 8.25 -1.26 -5.13 115.22 112.59 2klb n HIS 150 Ca -0.10 -0.74 -0.40 0.00 -0.26 0.00 0.00 57.72 56.22 2klb n HIS 150 Cb 0.59 0.48 -0.05 0.00 1.12 0.00 0.00 29.99 32.13 2klb n HIS 150 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2klb s HIS 151 N -0.16 3.72 0.00 4.41 5.04 -1.26 -5.07 115.29 121.98 2klb s HIS 151 Ca 0.09 1.44 0.01 0.00 -1.54 0.00 0.00 55.06 55.06 2klb s HIS 151 Cb 0.16 -2.81 -0.01 0.00 0.04 0.00 0.00 32.58 29.96 2klb s HIS 151 CO -0.05 0.26 -0.02 -1.58 -2.34 0.00 0.00 174.74 171.00 2klb s HIS 152 N 0.03 0.21 -0.18 3.88 2.46 -1.26 -5.10 115.29 115.33 2klb s HIS 152 Ca 0.38 -0.12 -0.01 0.00 0.47 0.00 0.00 55.06 55.78 2klb s HIS 152 Cb -0.20 -0.14 0.00 0.00 -0.13 0.00 0.00 32.58 32.11 2klb s HIS 152 CO 0.22 -0.03 -0.13 -1.58 -2.47 0.00 0.00 174.74 170.76 2klb s HIS 153 N -0.31 2.84 -1.65 3.88 5.04 -1.26 -5.19 115.29 118.64 2klb s HIS 153 Ca -0.02 -1.13 0.13 0.00 -1.54 0.00 0.00 55.06 52.50 2klb s HIS 153 Cb -0.02 -1.97 0.10 0.00 0.04 0.00 0.00 32.58 30.73 2klb s HIS 153 CO -0.00 -0.57 0.92 -2.39 -2.34 0.00 0.00 174.74 170.36