#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 0.00-12.89 -2.73 0.44 2.08 -1.23 -2.03 119.36 102.99 2klb n ILE 2 Ca 0.00 2.85 -0.42 0.00 0.56 0.00 0.00 62.75 65.74 2klb n ILE 2 Cb 0.00 -6.40 -0.03 0.00 -0.75 0.00 0.00 39.64 32.46 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 -0.64 1.40 -0.56 7.39 0.00 -0.65 -2.15 107.32 112.11 2klb s GLY 3 Ca -0.23 -2.12 -0.23 0.00 0.00 0.00 0.00 44.72 42.14 2klb s GLY 3 CO 0.61 2.34 0.89 0.14 0.00 0.00 0.00 173.10 177.08 2klb s VAL 4 N 4.27 4.46 -0.27 1.40 1.01 0.15 -0.72 120.40 130.69 2klb s VAL 4 Ca 0.34 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 2klb s VAL 4 Cb -0.07 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2klb s VAL 4 CO -0.00 -1.12 0.13 -0.36 0.00 0.00 0.00 175.10 173.75 2klb s PHE 5 N 3.74 3.15 0.30 5.22 0.08 -0.39 -0.94 117.98 129.13 2klb s PHE 5 Ca 0.26 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 57.08 2klb s PHE 5 Cb -0.14 -2.31 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2klb s PHE 5 CO 0.16 -0.32 0.19 2.48 -0.10 0.00 0.00 175.22 177.64 2klb n TYR 6 N 4.98 -0.38 -3.91 0.36 4.11 -0.23 -1.27 117.16 120.82 2klb n TYR 6 Ca -0.15 -2.29 -0.31 0.00 -0.00 0.00 0.00 57.90 55.15 2klb n TYR 6 Cb 0.51 0.15 -0.15 0.00 -0.00 0.00 0.00 39.34 39.85 2klb n TYR 6 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2klb s VAL 7 N -3.03 1.70 0.24 -3.48 1.01 -1.26 -1.27 120.40 114.31 2klb s VAL 7 Ca 0.28 -1.90 0.35 0.00 0.00 0.00 0.00 61.98 60.71 2klb s VAL 7 Cb 0.01 -2.23 0.37 0.00 0.00 0.00 0.00 36.38 34.53 2klb s VAL 7 CO 0.19 -0.58 2.07 0.77 0.00 0.00 0.00 175.10 177.56 2klb h SER 8 N 7.82 0.00 0.59 3.32 4.64 -1.92 -1.10 113.55 126.90 2klb h SER 8 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2klb h SER 8 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2klb h SER 8 CO 0.49 0.00 -0.50 1.21 -0.87 0.00 0.00 176.83 177.16 2klb n GLU 9 N -2.84 0.06 -3.99 4.77 2.13 -1.26 -4.62 120.64 114.87 2klb n GLU 9 Ca -0.01 0.01 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2klb n GLU 9 Cb 0.14 -1.53 -0.15 0.00 0.27 0.00 0.00 31.44 30.17 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 -3.03 2.91 0.00 4.31 5.04 -0.42 -5.05 117.35 121.11 2klb s TYR 10 Ca 0.10 -1.31 0.00 0.00 -2.44 0.00 0.00 57.07 53.42 2klb s TYR 10 Cb 0.17 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.45 2klb s TYR 10 CO 0.69 -0.68 0.00 0.41 -1.34 0.00 0.00 175.55 174.64 2klb n GLY 11 N 4.71 0.66 0.31 8.97 0.00 -1.26 -3.64 105.19 114.93 2klb n GLY 11 Ca -0.19 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.22 0.20 -0.23 1.61 4.02 -1.26 -4.55 117.16 116.73 2klb n TYR 12 Ca 0.00 -0.10 0.02 0.00 -0.01 0.00 0.00 57.90 57.81 2klb n TYR 12 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.38 2klb n TYR 12 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2klb n SER 13 N -0.06 -0.30 -0.12 7.72 7.64 -1.24 0.28 113.62 127.55 2klb n SER 13 Ca 0.09 1.06 -0.13 0.00 1.01 0.00 0.00 58.87 60.89 2klb n SER 13 Cb 0.16 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 2klb n SER 13 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2klb h ASP 14 N 0.00 0.92 -0.90 6.43 3.58 -1.81 -1.27 116.42 123.37 2klb h ASP 14 Ca 0.26 -0.45 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2klb h ASP 14 Cb 0.41 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 2klb h ASP 14 CO -0.62 1.18 0.58 0.03 -2.88 0.00 0.00 179.24 177.53 2klb h ARG 15 N 0.67 1.19 0.28 0.28 2.47 -0.51 0.11 114.38 118.87 2klb h ARG 15 Ca 0.06 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2klb h ARG 15 Cb 0.91 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 2klb h ARG 15 CO 0.08 0.81 -0.13 -0.07 0.56 0.00 0.00 179.97 181.22 2klb h LEU 16 N 1.22 -0.32 -1.03 3.04 3.38 -0.67 -2.25 115.31 118.68 2klb h LEU 16 Ca 0.33 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.31 2klb h LEU 16 Cb -0.11 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 2klb h LEU 16 CO -0.07 -0.08 0.63 0.00 0.09 0.00 0.00 178.44 179.02 2klb h ALA 17 N 0.12 1.54 -0.57 1.53 0.00 -1.02 0.62 119.26 121.47 2klb h ALA 17 Ca -0.04 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2klb h ALA 17 Cb 0.41 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2klb h ALA 17 CO 0.06 0.21 0.26 0.37 0.00 0.00 0.00 179.25 180.15 2klb h GLN 18 N 0.98 0.47 -0.22 0.00 4.15 -0.83 -0.79 115.11 118.86 2klb h GLN 18 Ca 0.50 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.78 2klb h GLN 18 Cb 0.51 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 2klb h GLN 18 CO -0.26 0.31 -0.26 0.00 -1.93 0.00 0.00 178.83 176.68 2klb h ALA 19 N 1.35 0.33 0.44 3.38 0.00 -0.61 -2.95 119.26 121.20 2klb h ALA 19 Ca 0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2klb h ALA 19 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2klb h ALA 19 CO -0.22 0.32 -0.36 0.82 0.00 0.00 0.00 179.25 179.81 2klb h ILE 20 N 0.27 0.27 -0.72 0.00 2.04 -0.65 -1.89 117.51 116.82 2klb h ILE 20 Ca 0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 2klb h ILE 20 Cb 0.83 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 2klb h ILE 20 CO 0.06 0.00 0.47 -0.29 0.00 0.00 0.00 178.15 178.40 2klb h ILE 21 N -0.79 0.98 -0.62 -0.67 2.10 -1.25 0.57 117.51 117.83 2klb h ILE 21 Ca -0.04 -0.24 -0.04 0.00 1.08 0.00 0.00 64.86 65.63 2klb h ILE 21 Cb 0.69 0.23 -0.03 0.00 -1.09 0.00 0.00 36.82 36.62 2klb h ILE 21 CO -0.01 0.13 0.24 -1.13 -1.08 0.00 0.00 178.15 176.29 2klb h ASN 22 N 0.69 0.83 0.65 2.19 -1.24 -1.29 -1.64 115.58 115.77 2klb h ASN 22 Ca 0.32 -0.11 -0.27 0.00 0.71 0.00 0.00 56.30 56.95 2klb h ASN 22 Cb 0.36 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 2klb h ASN 22 CO -0.11 0.75 -1.35 1.23 -1.29 0.00 0.00 177.43 176.66 2klb h GLY 23 N 1.00 0.16 1.05 1.57 0.00 -0.28 -3.28 103.07 103.28 2klb h GLY 23 Ca 0.21 -0.40 -0.23 0.00 0.00 0.00 0.00 47.33 46.91 2klb h GLY 23 CO -0.02 0.35 -0.89 -2.22 0.00 0.00 0.00 176.54 173.77 2klb h ILE 24 N 0.04 1.33 -0.02 2.60 1.08 -0.89 -3.09 117.51 118.56 2klb h ILE 24 Ca -0.16 -2.19 -0.01 0.00 -0.39 0.00 0.00 64.86 62.10 2klb h ILE 24 Cb 1.93 2.47 -0.00 0.00 -3.07 0.00 0.00 36.82 38.16 2klb h ILE 24 CO 0.15 0.66 -0.05 0.71 -0.69 0.00 0.00 178.15 178.93 2klb h THR 25 N 0.21 1.05 0.00 -0.27 1.35 -1.33 0.12 112.91 114.04 2klb h THR 25 Ca -0.11 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2klb h THR 25 Cb 1.57 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2klb h THR 25 CO 0.17 0.06 0.00 1.17 -0.25 0.00 0.00 175.52 176.68 2klb n LYS 26 N -4.46 0.13 -0.00 4.72 4.81 -1.21 -3.14 118.16 119.00 2klb n LYS 26 Ca -0.03 0.20 -0.17 0.00 -0.87 0.00 0.00 58.31 57.44 2klb n LYS 26 Cb 0.14 -1.68 -0.14 0.00 0.02 0.00 0.00 35.03 33.37 2klb n LYS 26 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2klb n THR 27 N -1.91 1.73 0.00 3.15 -1.04 0.32 -4.91 114.28 111.62 2klb n THR 27 Ca 0.05 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 2klb n THR 27 Cb 0.32 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 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 1.86 1.84 3.09 3.41 0.00 -0.55 -4.70 105.19 110.13 2klb n GLY 28 Ca -0.27 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.84 1.02 -0.37 1.61 1.01 -1.10 -5.04 120.40 115.69 2klb s VAL 29 Ca 0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 2klb s VAL 29 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2klb s VAL 29 CO 0.00 0.27 0.41 -0.83 0.00 0.00 0.00 175.10 174.95 2klb s GLY 30 N -0.36 1.88 -0.01 4.51 0.00 -1.26 -3.50 107.32 108.59 2klb s GLY 30 Ca 0.05 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.35 2klb s GLY 30 CO -0.00 1.10 0.38 -1.34 0.00 0.00 0.00 173.10 173.23 2klb s VAL 31 N 2.12 5.09 -0.36 1.40 -7.23 -1.25 -0.15 120.40 120.03 2klb s VAL 31 Ca 0.13 0.74 -0.13 0.00 -1.81 0.00 0.00 61.98 60.91 2klb s VAL 31 Cb -0.17 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2klb s VAL 31 CO 0.13 0.57 0.24 -1.81 -0.31 0.00 0.00 175.10 173.91 2klb s ASP 32 N -1.12 5.94 -0.20 4.85 1.01 -0.86 -4.85 116.67 121.43 2klb s ASP 32 Ca 0.23 -0.65 -0.06 0.00 0.71 0.00 0.00 52.55 52.78 2klb s ASP 32 Cb -0.16 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 2klb s ASP 32 CO 0.13 -0.31 0.04 0.68 0.21 0.00 0.00 175.17 175.92 2klb s VAL 33 N 1.67 4.36 0.03 -1.27 -7.23 -1.26 -0.67 120.40 116.02 2klb s VAL 33 Ca 0.05 -0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.05 2klb s VAL 33 Cb -0.18 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 2klb s VAL 33 CO 0.09 0.42 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.57 2klb s VAL 34 N 0.86 0.25 -0.23 1.32 1.01 -0.11 -4.99 120.40 118.50 2klb s VAL 34 Ca 0.02 -1.02 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 2klb s VAL 34 Cb -0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2klb s VAL 34 CO 0.02 -0.50 0.84 -1.81 0.00 0.00 0.00 175.10 173.66 2klb s ASP 35 N -1.60 6.87 0.18 3.32 1.01 -1.26 -1.07 116.67 124.13 2klb s ASP 35 Ca -0.13 1.08 0.24 0.00 0.71 0.00 0.00 52.55 54.45 2klb s ASP 35 Cb -0.09 -2.45 0.38 0.00 1.01 0.00 0.00 42.92 41.78 2klb s ASP 35 CO -0.01 -0.51 1.40 0.17 0.21 0.00 0.00 175.17 176.43 2klb h LEU 36 N 9.08 0.00 0.00 1.23 8.10 -1.50 -3.26 115.31 128.96 2klb h LEU 36 Ca -0.24 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 57.64 2klb h LEU 36 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.32 2klb h LEU 36 CO 0.88 0.06 -0.25 0.61 -4.11 0.00 0.00 178.44 175.62 2klb n GLY 37 N 1.28 -1.41 3.31 0.17 0.00 -1.26 -4.73 105.19 102.56 2klb n GLY 37 Ca 0.03 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.55 -0.31 -2.31 4.61 0.00 -1.23 -4.99 120.51 114.73 2klb n ALA 38 Ca 0.06 -1.61 -0.38 0.00 0.00 0.00 0.00 53.44 51.51 2klb n ALA 38 Cb 0.35 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.39 2.37 -0.00 0.00 0.00 -1.26 -4.98 121.76 114.49 2klb s ALA 39 Ca 0.59 -1.38 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 2klb s ALA 39 Cb -0.03 -4.39 -0.05 0.00 0.00 0.00 0.00 23.12 18.66 2klb s ALA 39 CO 0.40 -3.82 0.74 0.14 0.00 0.00 0.00 175.76 173.22 2klb s VAL 40 N 7.33 4.88 0.42 0.00 -7.23 -1.26 -5.07 120.40 119.47 2klb s VAL 40 Ca 0.53 1.55 0.07 0.00 -1.81 0.00 0.00 61.98 62.33 2klb s VAL 40 Cb -0.07 -4.08 -0.03 0.00 0.56 0.00 0.00 36.38 32.76 2klb s VAL 40 CO 0.08 0.31 0.33 -0.62 -0.31 0.00 0.00 175.10 174.90 2klb s ASP 41 N 0.32 4.88 0.60 4.85 2.15 -1.26 -4.97 116.67 123.25 2klb s ASP 41 Ca 0.38 -0.85 0.30 0.00 0.43 0.00 0.00 52.55 52.82 2klb s ASP 41 Cb -0.19 -0.50 1.68 0.00 -0.30 0.00 0.00 42.92 43.61 2klb s ASP 41 CO 0.21 -0.65 2.07 -0.07 -0.17 0.00 0.00 175.17 176.56 2klb h LEU 42 N 1.11 0.00 0.75 -1.34 -0.00 -1.98 -0.96 115.31 112.89 2klb h LEU 42 Ca -0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.43 2klb h LEU 42 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 2klb h LEU 42 CO 0.60 0.00 -0.49 1.56 -0.00 0.00 0.00 178.44 180.11 2klb h GLN 43 N 0.00 -1.13 -0.53 1.13 4.20 -1.99 -1.23 115.11 115.55 2klb h GLN 43 Ca 0.09 0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 2klb h GLN 43 Cb 0.58 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2klb h GLN 43 CO -0.00 -0.75 0.00 0.93 -0.67 0.00 0.00 178.83 178.34 2klb h GLU 44 N -1.17 0.90 -0.52 1.46 3.07 -1.68 -2.09 114.58 114.55 2klb h GLU 44 Ca -0.10 -0.26 0.02 0.00 -0.50 0.00 0.00 59.36 58.52 2klb h GLU 44 Cb 0.95 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 2klb h GLU 44 CO 0.09 0.89 0.35 -0.07 -1.40 0.00 0.00 179.01 178.86 2klb h LEU 45 N 0.83 0.54 -0.26 1.33 3.38 -1.20 -1.12 115.31 118.81 2klb h LEU 45 Ca 0.16 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 2klb h LEU 45 Cb 0.49 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2klb h LEU 45 CO 0.02 0.38 -0.89 -0.09 0.09 0.00 0.00 178.44 177.96 2klb h ARG 46 N 0.63 0.27 -0.94 1.13 2.43 -0.79 -3.08 114.38 114.05 2klb h ARG 46 Ca 0.20 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2klb h ARG 46 Cb 0.03 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 2klb h ARG 46 CO -0.05 1.00 0.61 0.93 -1.51 0.00 0.00 179.97 180.95 2klb h GLU 47 N 0.16 1.10 -0.59 0.20 4.39 -0.63 -0.85 114.58 118.35 2klb h GLU 47 Ca -0.05 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.68 2klb h GLU 47 Cb 1.51 -0.25 -0.08 0.00 -0.10 0.00 0.00 28.75 29.84 2klb h GLU 47 CO 0.14 0.73 0.16 1.25 -1.16 0.00 0.00 179.01 180.13 2klb h LEU 48 N 1.13 0.07 -0.61 1.33 5.85 -1.16 0.34 115.31 122.28 2klb h LEU 48 Ca 0.39 0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.23 2klb h LEU 48 Cb 0.09 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2klb h LEU 48 CO -0.13 0.05 0.38 0.58 -0.34 0.00 0.00 178.44 178.97 2klb h VAL 49 N 0.30 1.08 0.00 1.05 2.07 -1.15 0.24 116.25 119.84 2klb h VAL 49 Ca 0.31 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2klb h VAL 49 Cb 0.43 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2klb h VAL 49 CO -0.36 0.14 -0.07 1.23 0.02 0.00 0.00 177.57 178.52 2klb h GLY 50 N 0.75 0.00 -2.59 2.17 0.00 -0.22 -1.84 103.07 101.33 2klb h GLY 50 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2klb h GLY 50 CO -0.09 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.99 2klb n ARG 51 N -4.44 2.64 0.00 4.80 3.00 0.01 -4.62 116.66 118.05 2klb n ARG 51 Ca -0.03 -2.54 0.00 0.00 -0.01 0.00 0.00 57.85 55.27 2klb n ARG 51 Cb 0.15 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.06 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 1.01 -1.82 0.00 1.35 -1.83 -3.26 112.91 108.36 2klb h THR 53 Ca 0.00 -2.61 0.01 0.00 -0.55 0.00 0.00 66.41 63.27 2klb h THR 53 Cb 0.05 2.45 -0.23 0.00 -1.73 0.00 0.00 68.15 68.68 2klb h THR 53 CO 0.00 0.58 0.25 -0.83 -0.25 0.00 0.00 175.52 175.27 2klb s GLY 54 N -4.75 -0.37 0.19 5.82 0.00 0.17 -3.67 107.32 104.72 2klb s GLY 54 Ca -0.00 2.38 -0.21 0.00 0.00 0.00 0.00 44.72 46.88 2klb s GLY 54 CO 0.80 1.90 0.61 0.48 0.00 0.00 0.00 173.10 176.89 2klb s LEU 55 N 0.52 -0.36 -0.06 0.66 0.05 -1.23 -1.63 118.68 116.62 2klb s LEU 55 Ca -0.00 -0.22 0.01 0.00 0.05 0.00 0.00 54.13 53.97 2klb s LEU 55 Cb -0.05 2.53 0.02 0.00 -2.05 0.00 0.00 46.19 46.64 2klb s LEU 55 CO -0.05 -1.07 -0.09 -0.69 -0.55 0.00 0.00 176.35 173.91 2klb s VAL 56 N -3.81 0.89 -0.05 1.48 1.01 0.10 -1.92 120.40 118.09 2klb s VAL 56 Ca 0.05 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 2klb s VAL 56 Cb -0.02 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2klb s VAL 56 CO -0.07 0.31 0.32 -0.63 0.00 0.00 0.00 175.10 175.02 2klb s ILE 57 N 0.88 5.20 0.00 2.22 1.09 -0.24 -1.27 121.20 129.08 2klb s ILE 57 Ca -0.11 0.62 0.00 0.00 -1.10 0.00 0.00 60.65 60.06 2klb s ILE 57 Cb -0.15 -3.61 0.00 0.00 -1.06 0.00 0.00 42.46 37.64 2klb s ILE 57 CO 0.01 0.57 0.00 0.61 -0.10 0.00 0.00 174.94 176.03 2klb n GLY 58 N 2.01 1.18 3.94 6.18 0.00 -0.40 -0.90 105.19 117.21 2klb n GLY 58 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2klb n GLY 58 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2klb s MET 59 N 0.26 1.18 -0.13 1.61 0.23 -1.23 -3.22 119.30 118.01 2klb s MET 59 Ca 0.00 -0.44 0.20 0.00 -1.03 0.00 0.00 55.69 54.42 2klb s MET 59 Cb 0.00 -1.98 0.40 0.00 -1.53 0.00 0.00 34.83 31.72 2klb s MET 59 CO 0.00 -2.00 1.17 -1.13 -2.03 0.00 0.00 175.02 171.03 2klb n SER 60 N -3.45 0.70 -4.80 -1.18 3.41 -1.26 -4.96 113.62 102.08 2klb n SER 60 Ca 0.13 -2.03 -0.34 0.00 -0.26 0.00 0.00 58.87 56.37 2klb n SER 60 Cb 0.60 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 2klb n SER 60 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2klb s PRO 61 N -1.32 4.08 0.23 4.33 0.04 -1.26 -4.46 135.00 136.65 2klb s PRO 61 Ca 0.25 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 2klb s PRO 61 Cb 0.32 -2.23 0.41 0.00 0.04 0.00 0.00 34.50 33.04 2klb s PRO 61 CO -0.10 -0.17 1.71 0.00 0.04 0.00 0.00 177.00 178.48 2klb h ALA 62 N 1.94 0.93 -0.72 8.56 0.00 -1.90 0.30 119.26 128.36 2klb h ALA 62 Ca -0.49 0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.67 2klb h ALA 62 Cb 1.20 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2klb h ALA 62 CO 0.61 -0.27 0.31 0.00 0.00 0.00 0.00 179.25 179.90 2klb h ALA 63 N 1.54 1.00 0.00 0.00 0.00 -1.99 -1.57 119.26 118.24 2klb h ALA 63 Ca 0.38 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 55.19 2klb h ALA 63 Cb 0.59 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2klb h ALA 63 CO -0.42 -0.16 -0.91 1.03 0.00 0.00 0.00 179.25 178.79 2klb h SER 64 N 0.49 0.00 -0.32 0.00 0.87 -1.47 -3.28 113.55 109.84 2klb h SER 64 Ca 0.38 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 61.03 2klb h SER 64 Cb 0.52 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2klb h SER 64 CO -0.35 0.91 0.24 0.00 -0.53 0.00 0.00 176.83 177.10 2klb h ALA 65 N 1.09 2.25 -0.68 6.23 0.00 0.54 0.10 119.26 128.77 2klb h ALA 65 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2klb h ALA 65 Cb 1.62 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 2klb h ALA 65 CO 0.12 -0.40 0.38 0.00 0.00 0.00 0.00 179.25 179.35 2klb h ALA 66 N 1.82 0.92 -0.09 0.00 0.00 -1.57 0.16 119.26 120.51 2klb h ALA 66 Ca 0.15 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2klb h ALA 66 Cb 0.63 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2klb h ALA 66 CO -0.00 0.06 -0.50 1.03 0.00 0.00 0.00 179.25 179.84 2klb h SER 67 N 0.70 0.59 -0.05 0.00 0.87 -1.23 -3.05 113.55 111.37 2klb h SER 67 Ca 0.31 -0.66 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 2klb h SER 67 Cb 0.20 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2klb h SER 67 CO -0.19 1.15 -0.04 0.40 -0.53 0.00 0.00 176.83 177.63 2klb h ILE 68 N 0.07 0.88 -0.58 2.23 2.04 -1.01 -2.64 117.51 118.50 2klb h ILE 68 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2klb h ILE 68 Cb 1.16 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 2klb h ILE 68 CO 0.10 0.00 0.32 1.56 0.00 0.00 0.00 178.15 180.13 2klb h GLN 69 N -0.05 0.81 -0.91 2.37 4.20 -0.80 0.53 115.11 121.28 2klb h GLN 69 Ca 0.04 -0.10 0.11 0.00 0.06 0.00 0.00 58.65 58.76 2klb h GLN 69 Cb 0.10 -0.16 -0.08 0.00 0.30 0.00 0.00 27.48 27.64 2klb h GLN 69 CO -0.08 0.63 0.54 0.78 -0.67 0.00 0.00 178.83 180.02 2klb h GLY 70 N 0.79 1.46 1.67 3.46 0.00 -1.40 -1.72 103.07 107.32 2klb h GLY 70 Ca 0.20 -0.35 -0.25 0.00 0.00 0.00 0.00 47.33 46.93 2klb h GLY 70 CO -0.03 0.12 -1.22 0.00 0.00 0.00 0.00 176.54 175.40 2klb h ALA 71 N 1.51 0.28 -0.71 3.60 0.00 -1.14 -3.36 119.26 119.44 2klb h ALA 71 Ca 0.45 -0.97 0.09 0.00 0.00 0.00 0.00 54.91 54.47 2klb h ALA 71 Cb 0.47 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2klb h ALA 71 CO -0.27 1.16 0.37 1.25 0.00 0.00 0.00 179.25 181.75 2klb h LEU 72 N 0.04 0.49 -2.30 0.00 7.12 0.95 0.27 115.31 121.88 2klb h LEU 72 Ca -0.11 0.05 0.02 0.00 0.13 0.00 0.00 57.88 57.97 2klb h LEU 72 Cb 1.90 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.99 2klb h LEU 72 CO 0.16 0.29 0.22 0.28 -0.13 0.00 0.00 178.44 179.26 2klb h SER 73 N 0.63 0.00 0.12 1.25 0.02 -1.58 0.62 113.55 114.62 2klb h SER 73 Ca 0.34 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.94 2klb h SER 73 Cb 0.33 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 2klb h SER 73 CO -0.25 0.00 -2.22 0.41 -1.14 0.00 0.00 176.83 173.63 2klb n THR 74 N -3.24 1.43 -0.23 -2.27 -1.04 0.65 -4.47 114.28 105.10 2klb n THR 74 Ca -0.01 -0.84 -0.06 0.00 -2.04 0.00 0.00 64.05 61.11 2klb n THR 74 Cb 0.31 -0.60 0.09 0.00 -1.82 0.00 0.00 70.33 68.31 2klb n THR 74 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2klb h ILE 75 N 0.00 1.25 -0.49 12.58 2.04 0.16 -3.00 117.51 130.05 2klb h ILE 75 Ca -0.48 -0.91 0.10 0.00 1.00 0.00 0.00 64.86 64.57 2klb h ILE 75 Cb 2.18 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 38.69 2klb h ILE 75 CO 0.04 0.35 -0.05 -0.07 0.00 0.00 0.00 178.15 178.42 2klb h LEU 76 N 1.03 -0.32 -0.02 1.44 3.38 -1.48 0.13 115.31 119.47 2klb h LEU 76 Ca 0.22 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2klb h LEU 76 Cb 0.32 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2klb h LEU 76 CO -0.00 -0.11 -0.03 0.61 0.09 0.00 0.00 178.44 178.99 2klb n GLY 77 N -1.33 -1.37 0.08 0.83 0.00 -1.21 -3.58 105.19 98.62 2klb n GLY 77 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.95 2klb n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2klb n SER 78 N -1.38 0.52 -4.92 1.61 7.64 0.23 -4.95 113.62 112.37 2klb n SER 78 Ca 0.10 0.22 -0.26 0.00 1.01 0.00 0.00 58.87 59.94 2klb n SER 78 Cb 0.30 0.73 0.03 0.00 -1.01 0.00 0.00 64.21 64.26 2klb n SER 78 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2klb s VAL 79 N -3.02 3.84 0.00 0.44 -7.23 0.04 -4.28 120.40 110.19 2klb s VAL 79 Ca -0.05 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.10 2klb s VAL 79 Cb 0.09 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.53 2klb s VAL 79 CO 0.83 -0.50 0.00 -3.20 -0.31 0.00 0.00 175.10 171.92 2klb n ASN 80 N -2.50 0.00 0.00 4.85 2.85 -1.23 -4.99 115.26 114.24 2klb n ASN 80 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 2klb n ASN 80 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 2klb n ASN 80 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2klb n GLU 81 N 0.00 0.00 -3.93 1.20 2.13 -1.26 -4.86 120.64 113.92 2klb n GLU 81 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2klb n GLU 81 Cb 0.00 -0.45 -0.14 0.00 0.27 0.00 0.00 31.44 31.13 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 0.00 1.74 0.36 5.31 -2.85 -1.26 -4.92 119.74 118.11 2klb s LYS 82 Ca 0.00 -1.96 0.07 0.00 -1.00 0.00 0.00 55.97 53.07 2klb s LYS 82 Cb 0.00 -3.36 -0.00 0.00 -2.06 0.00 0.00 37.83 32.41 2klb s LYS 82 CO 0.00 -1.01 0.49 -0.65 0.10 0.00 0.00 175.35 174.29 2klb s GLN 83 N 0.81 3.04 -0.38 1.78 1.11 -1.26 -4.92 119.66 119.84 2klb s GLN 83 Ca 0.11 -1.08 -0.12 0.00 0.01 0.00 0.00 55.36 54.28 2klb s GLN 83 Cb -0.21 -2.80 0.02 0.00 -1.01 0.00 0.00 33.01 29.01 2klb s GLN 83 CO -0.06 -0.02 0.23 0.00 0.01 0.00 0.00 175.29 175.45 2klb s ALA 84 N -2.22 3.35 0.18 6.09 0.00 -1.24 -0.77 121.76 127.15 2klb s ALA 84 Ca 0.48 -1.68 0.11 0.00 0.00 0.00 0.00 51.96 50.87 2klb s ALA 84 Cb -0.10 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2klb s ALA 84 CO 0.32 -1.35 -0.23 0.14 0.00 0.00 0.00 175.76 174.63 2klb s VAL 85 N 1.61 2.24 0.40 0.00 -7.23 0.39 -3.57 120.40 114.24 2klb s VAL 85 Ca 0.03 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 2klb s VAL 85 Cb -0.19 -2.05 -0.08 0.00 0.56 0.00 0.00 36.38 34.62 2klb s VAL 85 CO 0.08 -0.14 0.01 -0.83 -0.31 0.00 0.00 175.10 173.91 2klb s GLY 86 N -2.61 2.47 -0.21 2.32 0.00 -0.81 -1.29 107.32 107.19 2klb s GLY 86 Ca 0.19 -2.29 -0.10 0.00 0.00 0.00 0.00 44.72 42.53 2klb s GLY 86 CO 0.09 -2.07 0.48 -1.50 0.00 0.00 0.00 173.10 170.09 2klb s ILE 87 N -2.76 -0.26 -0.35 0.90 1.10 -1.26 -1.08 121.20 117.49 2klb s ILE 87 Ca 0.35 0.09 -0.00 0.00 -0.51 0.00 0.00 60.65 60.58 2klb s ILE 87 Cb 0.10 -0.72 0.13 0.00 0.15 0.00 0.00 42.46 42.12 2klb s ILE 87 CO 0.18 0.04 0.19 0.72 -2.11 0.00 0.00 174.94 173.96 2klb s PHE 88 N 1.87 0.98 -0.02 3.50 -0.71 -0.08 -4.83 117.98 118.69 2klb s PHE 88 Ca -0.07 -1.66 -0.30 0.00 -1.04 0.00 0.00 56.93 53.86 2klb s PHE 88 Cb -0.09 -1.17 -0.06 0.00 -1.21 0.00 0.00 43.02 40.49 2klb s PHE 88 CO -0.14 -0.82 1.64 -2.00 -1.34 0.00 0.00 175.22 172.55 2klb s GLU 89 N 1.15 4.19 -0.13 1.99 2.56 -1.20 -3.50 118.70 123.77 2klb s GLU 89 Ca 0.16 2.21 0.17 0.00 0.00 0.00 0.00 54.97 57.51 2klb s GLU 89 Cb -0.22 -3.89 0.71 0.00 2.00 0.00 0.00 34.13 32.74 2klb s GLU 89 CO -0.08 -0.81 1.63 -2.37 -0.56 0.00 0.00 175.26 173.07 2klb n THR 90 N 5.28 1.99 0.13 -1.70 5.66 -1.26 -4.78 114.28 119.61 2klb n THR 90 Ca 0.17 -1.27 0.00 0.00 -3.05 0.00 0.00 64.05 59.89 2klb n THR 90 Cb 0.42 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 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 0.92 -1.69 0.11 1.09 0.00 -1.26 -4.16 105.19 100.20 2klb n GLY 91 Ca 0.25 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.24 0.61 0.24 -0.02 0.00 -1.26 -2.30 105.19 101.22 2klb n GLY 92 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 2klb n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2klb h GLY 93 N 0.00 -0.60 -1.15 -0.02 0.00 -1.89 -3.47 103.07 95.93 2klb h GLY 93 Ca 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 47.33 47.38 2klb h GLY 93 CO 0.00 -0.22 0.00 1.34 0.00 0.00 0.00 176.54 177.66 2klb n ASP 94 N -4.10 -1.49 -0.85 0.19 2.03 -1.26 -4.88 116.55 106.19 2klb n ASP 94 Ca -0.07 -2.58 0.01 0.00 0.52 0.00 0.00 54.79 52.67 2klb n ASP 94 Cb 0.23 2.64 0.00 0.00 -0.72 0.00 0.00 41.12 43.27 2klb n ASP 94 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2klb n ASP 95 N -1.60 0.26 -0.19 1.67 5.68 -1.26 -4.42 116.55 116.68 2klb n ASP 95 Ca -0.02 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 2klb n ASP 95 Cb 0.52 -0.18 0.09 0.00 -1.14 0.00 0.00 41.12 40.41 2klb n ASP 95 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2klb h GLU 96 N 0.32 0.15 -1.51 0.11 4.81 -1.98 -2.08 114.58 114.41 2klb h GLU 96 Ca -0.11 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.85 2klb h GLU 96 Cb 1.52 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.75 2klb h GLU 96 CO 0.01 0.10 0.34 -0.35 -0.73 0.00 0.00 179.01 178.38 2klb n PRO 97 N -5.22 1.65 0.31 0.92 -0.04 -1.26 -4.67 135.00 126.68 2klb n PRO 97 Ca 0.08 -1.30 -0.14 0.00 -0.04 0.00 0.00 63.50 62.10 2klb n PRO 97 Cb 0.32 -1.51 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.91 0.15 0.42 0.52 2.10 -1.79 -3.37 117.51 116.45 2klb h ILE 98 Ca 0.25 -0.38 -0.01 0.00 1.08 0.00 0.00 64.86 65.79 2klb h ILE 98 Cb 1.05 0.21 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 2klb h ILE 98 CO 0.61 0.02 -0.30 0.44 -1.08 0.00 0.00 178.15 177.84 2klb h ASP 99 N -1.14 -0.77 0.12 2.19 3.32 -1.86 -3.02 116.42 115.26 2klb h ASP 99 Ca -0.08 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2klb h ASP 99 Cb 0.66 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2klb h ASP 99 CO 0.14 -0.45 0.00 -0.81 -1.72 0.00 0.00 179.24 176.39 2klb n PRO 100 N -5.43 0.14 -0.07 3.56 -0.04 -1.26 -3.55 135.00 128.36 2klb n PRO 100 Ca -0.11 0.60 -0.07 0.00 -0.04 0.00 0.00 63.50 63.89 2klb n PRO 100 Cb 0.33 -1.93 -0.02 0.00 -0.04 0.00 0.00 33.50 31.83 2klb n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2klb n LEU 101 N -2.23 1.52 -0.25 1.53 7.99 -1.18 -4.70 117.00 119.68 2klb n LEU 101 Ca -0.01 0.26 0.05 0.00 -0.01 0.00 0.00 56.01 56.30 2klb n LEU 101 Cb 0.07 -0.67 0.18 0.00 -0.11 0.00 0.00 43.42 42.88 2klb n LEU 101 CO 0.11 -0.33 0.97 -0.07 -1.51 0.00 0.00 177.39 176.56 2klb h LEU 102 N -0.76 0.15 -1.24 2.23 3.38 -1.58 -1.50 115.31 115.99 2klb h LEU 102 Ca 0.00 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.26 2klb h LEU 102 Cb 0.76 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 2klb h LEU 102 CO 0.00 0.04 0.60 -1.28 0.09 0.00 0.00 178.44 177.89 2klb h SER 103 N 0.35 0.66 -0.35 -0.43 0.87 -1.84 -2.02 113.55 110.79 2klb h SER 103 Ca 0.40 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.96 2klb h SER 103 Cb 0.65 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2klb h SER 103 CO -0.44 0.29 -0.03 0.11 -0.53 0.00 0.00 176.83 176.23 2klb h LYS 104 N 0.67 0.64 -0.48 2.24 6.56 -1.55 0.44 116.57 125.09 2klb h LYS 104 Ca 0.50 -0.22 -0.04 0.00 -1.06 0.00 0.00 60.65 59.83 2klb h LYS 104 Cb 0.86 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.45 2klb h LYS 104 CO -0.25 0.77 0.13 0.74 -2.06 0.00 0.00 179.45 178.78 2klb h PHE 105 N 0.45 0.73 -0.26 -1.35 0.04 -1.43 -1.47 116.94 113.65 2klb h PHE 105 Ca 0.10 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 2klb h PHE 105 Cb 0.50 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 2klb h PHE 105 CO 0.04 0.61 -0.21 0.00 -0.60 0.00 0.00 178.31 178.15 2klb h ARG 106 N 0.70 0.60 0.47 1.51 2.47 -1.20 -0.34 114.38 118.59 2klb h ARG 106 Ca 0.16 -0.30 -0.02 0.00 -1.26 0.00 0.00 59.98 58.56 2klb h ARG 106 Cb 0.24 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2klb h ARG 106 CO -0.01 0.89 -0.26 -0.97 0.56 0.00 0.00 179.97 180.19 2klb h ASN 107 N 0.32 -0.63 0.81 7.04 -1.24 -0.54 -2.74 115.58 118.60 2klb h ASN 107 Ca 0.05 0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.01 2klb h ASN 107 Cb 0.76 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 2klb h ASN 107 CO 0.06 -0.42 -0.36 -0.07 -1.29 0.00 0.00 177.43 175.34 2klb h LEU 108 N -0.68 0.00 -2.79 0.34 4.07 -1.39 -3.48 115.31 111.38 2klb h LEU 108 Ca -0.06 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 2klb h LEU 108 Cb 0.54 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.34 2klb h LEU 108 CO 0.08 0.36 -0.25 0.61 -1.08 0.00 0.00 178.44 178.17 2klb n GLY 109 N 0.17 -0.02 3.77 0.83 0.00 -0.17 -4.88 105.19 104.89 2klb n GLY 109 Ca -0.00 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.63 4.45 -0.70 0.99 1.02 -1.01 -4.85 118.68 114.96 2klb s LEU 110 Ca 0.13 1.91 -0.26 0.00 0.02 0.00 0.00 54.13 55.94 2klb s LEU 110 Cb -0.02 -3.86 -0.02 0.00 0.02 0.00 0.00 46.19 42.31 2klb s LEU 110 CO 0.27 -0.02 1.82 -0.89 0.02 0.00 0.00 176.35 177.56 2klb s THR 111 N -1.44 3.42 -0.22 5.49 2.01 0.05 -4.89 115.64 120.06 2klb s THR 111 Ca 0.47 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.31 2klb s THR 111 Cb -0.22 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2klb s THR 111 CO 0.28 -1.02 0.74 0.42 -0.69 0.00 0.00 174.62 174.35 2klb s THR 112 N 8.91 4.92 0.04 -0.82 -4.23 -1.26 -0.46 115.64 122.74 2klb s THR 112 Ca 0.65 1.41 -0.31 0.00 -1.18 0.00 0.00 61.69 62.26 2klb s THR 112 Cb -0.11 -4.05 -0.17 0.00 1.34 0.00 0.00 72.50 69.51 2klb s THR 112 CO 0.15 0.01 1.34 0.00 -0.54 0.00 0.00 174.62 175.58 2klb h ALA 113 N 7.59 -1.01 -2.40 3.99 0.00 -1.56 -3.42 119.26 122.45 2klb h ALA 113 Ca -0.27 -0.23 -0.56 0.00 0.00 0.00 0.00 54.91 53.85 2klb h ALA 113 Cb 1.12 0.39 -0.38 0.00 0.00 0.00 0.00 17.79 18.92 2klb h ALA 113 CO 0.82 -0.98 -0.90 0.12 0.00 0.00 0.00 179.25 178.31 2klb s PHE 114 N -5.29 0.78 -1.39 0.00 5.36 -1.26 -5.05 117.98 111.13 2klb s PHE 114 Ca -0.16 -1.89 -0.09 0.00 -0.96 0.00 0.00 56.93 53.82 2klb s PHE 114 Cb 0.02 -0.85 0.08 0.00 -0.34 0.00 0.00 43.02 41.93 2klb s PHE 114 CO 0.52 -0.85 2.33 -0.35 -1.46 0.00 0.00 175.22 175.41 2klb n PRO 115 N 3.44 3.87 -2.47 10.12 -0.04 -1.26 -4.34 135.00 144.31 2klb n PRO 115 Ca 0.21 -3.10 -0.03 0.00 -0.04 0.00 0.00 63.50 60.54 2klb n PRO 115 Cb 0.43 -2.85 0.09 0.00 -0.04 0.00 0.00 33.50 31.13 2klb n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2klb n ALA 116 N 3.39 1.27 -1.50 0.55 0.00 -1.26 -5.06 120.51 117.89 2klb n ALA 116 Ca 0.57 -0.84 -0.39 0.00 0.00 0.00 0.00 53.44 52.78 2klb n ALA 116 Cb 0.30 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 2klb n ALA 116 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2klb n ILE 117 N -1.00 2.02 -0.99 0.00 -6.64 -1.26 -4.80 119.36 106.69 2klb n ILE 117 Ca -0.13 -1.89 -0.14 0.00 -1.77 0.00 0.00 62.75 58.83 2klb n ILE 117 Cb 0.79 -2.29 -0.16 0.00 -1.44 0.00 0.00 39.64 36.54 2klb n ILE 117 CO 0.00 0.00 0.00 -2.11 -1.77 0.00 0.00 176.55 172.67 2klb n ARG 118 N 7.37 2.06 -2.61 6.28 1.85 -1.26 -4.84 116.66 125.51 2klb n ARG 118 Ca 0.48 -1.06 -0.35 0.00 -1.00 0.00 0.00 57.85 55.93 2klb n ARG 118 Cb 0.42 -2.04 -0.05 0.00 -1.05 0.00 0.00 32.46 29.75 2klb n ARG 118 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2klb s ILE 119 N 1.14 3.90 -0.11 8.89 -1.09 -1.26 -5.02 121.20 127.64 2klb s ILE 119 Ca 0.65 1.32 -0.07 0.00 -2.23 0.00 0.00 60.65 60.33 2klb s ILE 119 Cb 0.30 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2klb s ILE 119 CO -0.00 -0.12 -0.13 0.50 -1.23 0.00 0.00 174.94 173.96 2klb h LYS 120 N 2.15 0.00 0.00 2.79 1.63 -1.93 -3.42 116.57 117.80 2klb h LYS 120 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2klb h LYS 120 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2klb h LYS 120 CO 0.61 0.00 0.00 0.94 -3.45 0.00 0.00 179.45 177.55 2klb n GLN 121 N -4.19 0.00 -4.56 1.90 7.27 -0.97 -4.61 117.38 112.22 2klb n GLN 121 Ca -0.05 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.78 2klb n GLN 121 Cb 0.19 -0.02 -0.16 0.00 2.41 0.00 0.00 30.24 32.65 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 -1.89 1.07 0.43 1.69 -4.23 -1.26 -4.00 115.64 107.45 2klb s THR 122 Ca 0.00 -0.47 -0.25 0.00 -1.18 0.00 0.00 61.69 59.79 2klb s THR 122 Cb 0.00 -0.97 -0.08 0.00 1.34 0.00 0.00 72.50 72.79 2klb s THR 122 CO 0.00 0.33 1.28 -2.16 -0.54 0.00 0.00 174.62 173.54 2klb s PRO 123 N 0.51 3.84 0.46 3.99 0.04 -1.26 -5.01 135.00 137.57 2klb s PRO 123 Ca -0.11 2.09 0.07 0.00 0.04 0.00 0.00 61.00 63.10 2klb s PRO 123 Cb -0.14 -2.64 0.07 0.00 0.04 0.00 0.00 34.50 31.84 2klb s PRO 123 CO 0.03 -0.58 0.62 0.25 0.04 0.00 0.00 177.00 177.36 2klb n THR 124 N -0.11 0.00 0.28 1.26 -2.24 -1.26 -4.92 114.28 107.29 2klb n THR 124 Ca 0.05 -1.56 0.13 0.00 -2.27 0.00 0.00 64.05 60.40 2klb n THR 124 Cb 0.45 -0.58 0.83 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.00 0.00 -0.78 3.07 -2.04 -1.35 114.58 113.48 2klb h GLU 125 Ca -0.22 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.56 2klb h GLU 125 Cb 1.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 2klb h GLU 125 CO 0.32 0.00 -0.36 -0.91 -1.40 0.00 0.00 179.01 176.66 2klb h ASN 126 N 0.00 0.00 -0.58 1.42 2.35 -2.02 -3.23 115.58 113.52 2klb h ASN 126 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2klb h ASN 126 Cb 0.02 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2klb h ASN 126 CO -0.00 0.36 0.38 0.74 -1.65 0.00 0.00 177.43 177.26 2klb h THR 127 N 0.00 1.08 -0.22 2.81 2.02 -1.60 -2.11 112.91 114.88 2klb h THR 127 Ca -0.00 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.96 2klb h THR 127 Cb 1.10 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2klb h THR 127 CO 0.05 0.13 0.09 1.88 0.37 0.00 0.00 175.52 178.03 2klb h TYR 128 N 0.69 0.16 -0.49 3.16 -1.99 -1.67 -3.10 116.97 113.73 2klb h TYR 128 Ca 0.23 0.01 0.10 0.00 2.00 0.00 0.00 58.73 61.07 2klb h TYR 128 Cb 0.06 -0.04 -0.09 0.00 2.00 0.00 0.00 36.73 38.66 2klb h TYR 128 CO -0.00 0.08 -0.13 0.87 -0.00 0.00 0.00 178.16 178.98 2klb h LYS 129 N 0.20 -0.01 -0.29 4.88 1.57 -1.54 0.50 116.57 121.87 2klb h LYS 129 Ca 0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2klb h LYS 129 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2klb h LYS 129 CO -0.09 -0.01 0.12 -0.07 -0.57 0.00 0.00 179.45 178.84 2klb h LEU 130 N -0.01 0.40 -0.94 2.94 4.07 -1.59 -0.04 115.31 120.14 2klb h LEU 130 Ca 0.23 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 2klb h LEU 130 Cb 0.36 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 2klb h LEU 130 CO -0.51 0.45 0.55 0.00 -1.08 0.00 0.00 178.44 177.86 2klb h GLU 132 N 1.30 -0.10 0.64 0.00 5.08 -0.83 -1.19 114.58 119.49 2klb h GLU 132 Ca 0.34 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 2klb h GLU 132 Cb -0.04 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.24 2klb h GLU 132 CO -0.06 0.46 -0.31 1.49 -1.00 0.00 0.00 179.01 179.59 2klb h GLU 133 N -0.81 -0.83 -0.42 2.33 4.22 -0.97 -0.50 114.58 117.59 2klb h GLU 133 Ca -0.01 0.06 -0.04 0.00 0.08 0.00 0.00 59.36 59.45 2klb h GLU 133 Cb 0.61 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2klb h GLU 133 CO 0.02 -0.56 0.09 0.00 -2.18 0.00 0.00 179.01 176.39 2klb h ALA 134 N -1.58 1.38 -0.77 2.92 0.00 -1.31 -2.40 119.26 117.50 2klb h ALA 134 Ca -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2klb h ALA 134 Cb 0.66 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2klb h ALA 134 CO 0.15 0.45 0.46 0.78 0.00 0.00 0.00 179.25 181.08 2klb h GLY 135 N 0.84 1.12 0.97 0.00 0.00 -1.16 0.09 103.07 104.93 2klb h GLY 135 Ca 0.14 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2klb h GLY 135 CO -0.00 0.45 0.08 -0.84 0.00 0.00 0.00 176.54 176.23 2klb h THR 136 N 1.06 1.06 -0.54 4.70 2.02 -0.56 0.76 112.91 121.41 2klb h THR 136 Ca 0.28 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 67.20 2klb h THR 136 Cb -0.03 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2klb h THR 136 CO -0.05 0.05 -0.10 -0.78 0.37 0.00 0.00 175.52 175.01 2klb h ASP 137 N 0.16 1.02 -0.50 4.18 3.58 -1.39 -0.45 116.42 123.01 2klb h ASP 137 Ca 0.05 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 2klb h ASP 137 Cb 0.02 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 2klb h ASP 137 CO -0.01 1.12 0.28 0.25 -2.88 0.00 0.00 179.24 178.01 2klb h LEU 138 N 0.90 0.63 -0.84 2.28 5.85 -0.86 -2.38 115.31 120.88 2klb h LEU 138 Ca 0.14 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2klb h LEU 138 Cb 0.67 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2klb h LEU 138 CO 0.05 0.53 0.15 1.23 -0.34 0.00 0.00 178.44 180.06 2klb h GLY 139 N 0.67 1.09 2.00 3.75 0.00 -0.66 -2.70 103.07 107.22 2klb h GLY 139 Ca 0.18 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2klb h GLY 139 CO -0.03 0.62 -0.08 1.46 0.00 0.00 0.00 176.54 178.51 2klb h GLN 140 N 0.97 0.00 -0.99 4.80 4.20 -0.79 -2.07 115.11 121.23 2klb h GLN 140 Ca 0.20 0.00 0.20 0.00 0.06 0.00 0.00 58.65 59.11 2klb h GLN 140 Cb 0.35 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.02 2klb h GLN 140 CO 0.00 0.08 0.59 2.35 -0.67 0.00 0.00 178.83 181.18 2klb h TRP 141 N 0.00 1.02 0.18 2.96 7.01 -1.08 0.98 115.95 127.02 2klb h TRP 141 Ca -0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 2klb h TRP 141 Cb 0.16 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 26.92 2klb h TRP 141 CO 0.00 0.19 -0.09 0.28 -2.79 0.00 0.00 178.44 176.03 2klb h VAL 142 N 0.70 0.87 0.00 2.65 2.07 -1.50 -2.63 116.25 118.41 2klb h VAL 142 Ca 0.58 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.85 2klb h VAL 142 Cb 0.95 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2klb h VAL 142 CO -0.41 0.05 -0.24 0.00 0.02 0.00 0.00 177.57 177.00 2klb h THR 143 N -0.34 0.69 -0.57 2.57 1.03 -1.42 0.72 112.91 115.58 2klb h THR 143 Ca -0.02 -1.03 -0.08 0.00 -0.01 0.00 0.00 66.41 65.27 2klb h THR 143 Cb 0.26 1.66 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 2klb h THR 143 CO 0.04 0.23 0.05 0.03 -0.01 0.00 0.00 175.52 175.86 2klb h ARG 144 N 0.00 0.98 0.00 0.00 3.08 -0.67 -1.29 114.38 116.48 2klb h ARG 144 Ca -0.00 -0.29 -0.18 0.00 0.07 0.00 0.00 59.98 59.57 2klb h ARG 144 Cb 0.64 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2klb h ARG 144 CO 0.03 0.96 -1.00 0.22 -1.07 0.00 0.00 179.97 179.11 2klb h ASP 145 N 0.88 0.00 0.92 7.04 3.58 -1.19 -3.35 116.42 124.29 2klb h ASP 145 Ca 0.17 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 2klb h ASP 145 Cb 0.49 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.54 2klb h ASP 145 CO 0.02 0.79 -0.45 0.03 -2.88 0.00 0.00 179.24 176.75 2klb h ARG 146 N 0.00 -1.21 0.00 0.28 -0.00 -0.72 -3.49 114.38 109.24 2klb h ARG 146 Ca -0.06 0.08 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 2klb h ARG 146 Cb 1.66 0.27 0.00 0.00 0.00 0.00 0.00 29.97 31.91 2klb h ARG 146 CO 0.09 -0.81 0.00 -0.11 0.00 0.00 0.00 179.97 179.15 2klb n LEU 147 N -5.63 0.00 -3.36 3.04 7.94 -0.50 -5.08 117.00 113.41 2klb n LEU 147 Ca -0.16 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.64 2klb n LEU 147 Cb 0.50 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.37 2klb n LEU 147 CO 0.40 0.00 -0.07 -1.61 -1.11 0.00 0.00 177.39 175.00 2klb s GLU 148 N 0.58 0.34 0.00 1.96 2.02 -1.25 -4.68 118.70 117.67 2klb s GLU 148 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.49 2klb s GLU 148 Cb 0.00 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.69 2klb s GLU 148 CO 0.00 -0.65 0.63 1.58 0.02 0.00 0.00 175.26 176.83 2klb n HIS 149 N 5.36 0.00 -1.79 1.61 -0.00 -1.26 -5.03 115.22 114.12 2klb n HIS 149 Ca -0.04 -0.12 -0.34 0.00 0.46 0.00 0.00 57.72 57.68 2klb n HIS 149 Cb 0.50 0.30 -0.03 0.00 -0.12 0.00 0.00 29.99 30.64 2klb n HIS 149 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2klb n HIS 150 N 0.00 2.16 0.02 1.57 1.44 -1.26 -4.45 115.22 114.70 2klb n HIS 150 Ca -0.06 -2.43 -0.12 0.00 -2.01 0.00 0.00 57.72 53.10 2klb n HIS 150 Cb 0.55 -1.62 -0.14 0.00 0.12 0.00 0.00 29.99 28.91 2klb n HIS 150 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2klb h HIS 151 N 3.88 0.19 -1.49 -1.40 2.76 -1.96 -3.44 115.15 113.70 2klb h HIS 151 Ca 0.56 -0.14 -0.40 0.00 -2.20 0.00 0.00 60.37 58.19 2klb h HIS 151 Cb 0.49 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 2klb h HIS 151 CO 1.54 1.21 1.17 -1.58 -1.30 0.00 0.00 177.93 178.97 2klb s HIS 152 N -2.61 1.50 -1.26 5.26 5.65 -1.26 -4.90 115.29 117.65 2klb s HIS 152 Ca -0.07 1.06 -0.14 0.00 0.25 0.00 0.00 55.06 56.16 2klb s HIS 152 Cb 0.08 -3.90 0.14 0.00 -1.18 0.00 0.00 32.58 27.72 2klb s HIS 152 CO 0.82 -2.18 1.66 0.72 -0.65 0.00 0.00 174.74 175.11 2klb n HIS 153 N 14.34 4.34 -0.30 3.88 -0.00 -1.26 -5.03 115.22 131.18 2klb n HIS 153 Ca 0.31 -3.10 0.00 0.00 -0.00 0.00 0.00 57.72 54.92 2klb n HIS 153 Cb 0.51 -2.25 0.00 0.00 -0.00 0.00 0.00 29.99 28.25 2klb n HIS 153 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06