#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksq h LEU 3 N 0.00 0.06 -0.29 0.99 3.38 -2.05 -2.38 115.31 115.01 2ksq h LEU 3 Ca 0.00 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 2ksq h LEU 3 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2ksq h LEU 3 CO 0.00 0.52 -0.08 0.15 0.09 0.00 0.00 178.44 179.12 2ksq h PHE 4 N -0.39 0.64 0.43 1.13 3.04 -2.06 -2.86 116.94 116.86 2ksq h PHE 4 Ca 0.00 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 2ksq h PHE 4 Cb 0.50 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 2ksq h PHE 4 CO 0.09 0.76 -0.42 0.00 -2.02 0.00 0.00 178.31 176.72 2ksq h ALA 5 N 0.78 -0.94 -0.83 2.41 0.00 -2.00 -1.64 119.26 117.04 2ksq h ALA 5 Ca 0.07 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.01 2ksq h ALA 5 Cb 0.56 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2ksq h ALA 5 CO 0.03 -1.06 0.55 1.03 0.00 0.00 0.00 179.25 179.80 2ksq h SER 6 N -0.87 0.40 0.07 0.00 0.87 -1.49 -1.34 113.55 111.20 2ksq h SER 6 Ca -0.04 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2ksq h SER 6 Cb 0.77 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2ksq h SER 6 CO -0.06 0.19 -0.03 0.50 -0.53 0.00 0.00 176.83 176.89 2ksq h LYS 7 N 0.41 -0.09 -0.40 2.24 3.64 -1.19 -1.95 116.57 119.24 2ksq h LYS 7 Ca 0.42 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.92 2ksq h LYS 7 Cb 1.01 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2ksq h LYS 7 CO -0.15 0.21 0.32 -0.07 -2.27 0.00 0.00 179.45 177.49 2ksq h LEU 8 N -0.39 0.00 -0.20 5.20 -0.00 -0.33 0.13 115.31 119.72 2ksq h LEU 8 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.66 2ksq h LEU 8 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2ksq h LEU 8 CO 0.02 0.00 -0.94 0.15 -0.00 0.00 0.00 178.44 177.67 2ksq h PHE 9 N 0.00 0.35 -0.06 1.13 3.04 -1.08 -3.16 116.94 117.17 2ksq h PHE 9 Ca 0.19 -0.20 -0.19 0.00 3.98 0.00 0.00 57.97 61.75 2ksq h PHE 9 Cb 0.82 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 2ksq h PHE 9 CO 0.00 1.04 -0.75 0.77 -2.02 0.00 0.00 178.31 177.35 2ksq h SER 10 N 0.12 0.45 0.77 0.41 0.02 -0.01 -2.01 113.55 113.30 2ksq h SER 10 Ca -0.06 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 2ksq h SER 10 Cb 1.59 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.99 2ksq h SER 10 CO 0.15 1.05 -0.15 0.78 -1.14 0.00 0.00 176.83 177.51 2ksq h ASN 11 N 0.25 0.00 0.38 3.07 2.35 -1.23 -1.51 115.58 118.88 2ksq h ASN 11 Ca -0.03 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.40 2ksq h ASN 11 Cb 1.33 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.66 2ksq h ASN 11 CO 0.13 0.15 -1.80 -0.11 -1.65 0.00 0.00 177.43 174.15 2ksq n LEU 12 N -3.39 1.39 -1.94 1.61 0.00 -1.16 -3.41 117.00 110.10 2ksq n LEU 12 Ca -0.00 0.35 -0.21 0.00 0.00 0.00 0.00 56.01 56.15 2ksq n LEU 12 Cb 0.35 -0.21 0.16 0.00 0.00 0.00 0.00 43.42 43.72 2ksq n LEU 12 CO 0.31 0.53 1.09 0.49 0.00 0.00 0.00 177.39 179.80 2ksq n PHE 13 N -3.17 2.53 0.00 1.96 3.01 -0.77 -4.49 117.46 116.53 2ksq n PHE 13 Ca -0.21 -2.03 0.00 0.00 1.01 0.00 0.00 57.45 56.21 2ksq n PHE 13 Cb 1.05 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 2ksq n PHE 13 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ksq n GLY 14 N -1.08 -0.00 0.00 1.37 0.00 -0.58 -4.95 105.19 99.95 2ksq n GLY 14 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2ksq n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ksq n ASN 15 N -1.84 0.00 -2.56 1.61 4.05 -1.22 -4.84 115.26 110.46 2ksq n ASN 15 Ca 0.00 0.38 -0.15 0.00 0.45 0.00 0.00 54.58 55.25 2ksq n ASN 15 Cb 0.00 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.01 2ksq n ASN 15 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2ksq n LYS 16 N -0.39 -2.42 -3.73 1.20 5.02 -1.26 -4.94 118.16 111.64 2ksq n LYS 16 Ca 0.00 0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 56.83 2ksq n LYS 16 Cb 0.00 -5.30 -0.13 0.00 -0.02 0.00 0.00 35.03 29.58 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ksq s GLU 17 N -5.17 0.18 0.04 1.97 2.02 -1.26 -1.80 118.70 114.68 2ksq s GLU 17 Ca 0.06 0.52 0.06 0.00 0.02 0.00 0.00 54.97 55.62 2ksq s GLU 17 Cb -0.03 -0.13 -0.03 0.00 0.10 0.00 0.00 34.13 34.04 2ksq s GLU 17 CO 0.07 -0.17 -0.14 -1.64 0.02 0.00 0.00 175.26 173.40 2ksq s MET 18 N 1.32 2.22 -0.20 1.61 -1.94 -1.08 -4.89 119.30 116.34 2ksq s MET 18 Ca -0.09 -0.91 -0.09 0.00 -1.71 0.00 0.00 55.69 52.90 2ksq s MET 18 Cb -0.11 -2.29 -0.05 0.00 2.01 0.00 0.00 34.83 34.39 2ksq s MET 18 CO -0.08 0.56 0.10 1.03 -0.01 0.00 0.00 175.02 176.62 2ksq s ARG 19 N -1.51 4.09 0.13 2.03 3.00 -1.26 -1.99 118.95 123.45 2ksq s ARG 19 Ca 0.16 -0.27 0.07 0.00 0.00 0.00 0.00 55.73 55.69 2ksq s ARG 19 Cb -0.11 -3.34 -0.04 0.00 0.00 0.00 0.00 34.95 31.46 2ksq s ARG 19 CO 0.07 0.27 -0.17 0.42 0.00 0.00 0.00 175.30 175.89 2ksq s ILE 20 N 0.41 1.54 0.00 1.52 -1.09 0.25 0.10 121.20 123.93 2ksq s ILE 20 Ca 0.06 -1.70 0.03 0.00 -2.23 0.00 0.00 60.65 56.81 2ksq s ILE 20 Cb -0.12 -1.59 -0.01 0.00 -1.58 0.00 0.00 42.46 39.17 2ksq s ILE 20 CO -0.01 -0.29 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.11 2ksq s LEU 21 N -2.32 2.05 -0.06 2.97 0.20 0.09 -1.68 118.68 119.93 2ksq s LEU 21 Ca 0.09 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.72 2ksq s LEU 21 Cb -0.07 -0.43 0.01 0.00 -0.43 0.00 0.00 46.19 45.27 2ksq s LEU 21 CO 0.04 0.07 -0.13 -0.04 -0.29 0.00 0.00 176.35 176.01 2ksq s MET 22 N -0.42 1.66 0.32 1.98 -1.94 0.93 0.10 119.30 121.93 2ksq s MET 22 Ca 0.02 -0.43 -0.18 0.00 -1.71 0.00 0.00 55.69 53.39 2ksq s MET 22 Cb -0.04 -1.39 0.06 0.00 2.01 0.00 0.00 34.83 35.47 2ksq s MET 22 CO -0.00 0.05 0.86 0.14 -0.01 0.00 0.00 175.02 176.06 2ksq s VAL 23 N 0.57 0.00 -4.10 -6.03 -7.23 -1.12 -2.45 120.40 100.05 2ksq s VAL 23 Ca -0.13 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2ksq s VAL 23 Cb -0.15 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.02 2ksq s VAL 23 CO 0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 2ksq n GLY 24 N -0.57 -0.52 0.00 2.32 0.00 -1.26 -1.80 105.19 103.37 2ksq n GLY 24 Ca -0.07 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2ksq n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksq n LEU 25 N 0.00 0.00 -1.33 0.99 4.32 -1.26 -4.06 117.00 115.66 2ksq n LEU 25 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.97 2ksq n LEU 25 Cb 0.00 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 41.96 2ksq n LEU 25 CO 0.00 -1.08 0.67 -0.90 -1.22 0.00 0.00 177.39 174.87 2ksq n ASP 26 N -1.56 3.32 0.00 -1.43 5.75 -1.26 -3.75 116.55 117.63 2ksq n ASP 26 Ca 0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 2ksq n ASP 26 Cb 0.00 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.47 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ksq n GLY 27 N 0.08 0.00 0.06 6.12 0.00 -1.26 -4.86 105.19 105.33 2ksq n GLY 27 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2ksq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksq h ALA 28 N 0.00 0.06 0.00 4.61 0.00 -1.89 -3.48 119.26 118.56 2ksq h ALA 28 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ksq h ALA 28 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ksq h ALA 28 CO 0.00 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.28 2ksq n GLY 29 N -0.76 1.81 0.33 0.00 0.00 -1.26 -4.67 105.19 100.64 2ksq n GLY 29 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 2ksq n GLY 29 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ksq h LYS 30 N 0.00 0.56 -0.23 1.61 2.10 -1.91 0.47 116.57 119.17 2ksq h LYS 30 Ca 0.00 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.45 2ksq h LYS 30 Cb 0.00 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.20 2ksq h LYS 30 CO 0.00 0.37 -0.55 1.15 -2.00 0.00 0.00 179.45 178.42 2ksq h THR 31 N 0.58 1.30 -0.16 0.07 2.02 -1.95 -1.58 112.91 113.18 2ksq h THR 31 Ca 0.23 -1.77 -0.08 0.00 0.77 0.00 0.00 66.41 65.56 2ksq h THR 31 Cb 0.18 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2ksq h THR 31 CO -0.06 0.56 -0.20 0.74 0.37 0.00 0.00 175.52 176.93 2ksq h THR 32 N 0.53 1.35 -0.18 3.16 2.02 -1.63 -2.65 112.91 115.50 2ksq h THR 32 Ca 0.01 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 65.75 2ksq h THR 32 Cb 1.12 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 2ksq h THR 32 CO 0.11 0.42 -0.05 1.62 0.37 0.00 0.00 175.52 177.99 2ksq h VAL 33 N 0.06 1.29 -0.21 3.16 3.04 -1.00 -2.36 116.25 120.23 2ksq h VAL 33 Ca 0.02 -1.04 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 2ksq h VAL 33 Cb 0.75 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 2ksq h VAL 33 CO 0.05 0.31 0.14 0.25 -1.01 0.00 0.00 177.57 177.30 2ksq h LEU 34 N 0.06 0.25 -0.23 3.16 6.46 -1.37 -1.94 115.31 121.70 2ksq h LEU 34 Ca 0.04 -0.01 -0.21 0.00 -0.12 0.00 0.00 57.88 57.59 2ksq h LEU 34 Cb 0.50 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2ksq h LEU 34 CO 0.02 0.18 -0.92 1.88 -0.62 0.00 0.00 178.44 178.99 2ksq h TYR 35 N 0.29 0.36 -0.15 1.25 0.05 -1.36 -1.65 116.97 115.76 2ksq h TYR 35 Ca 0.08 -0.20 -0.05 0.00 0.05 0.00 0.00 58.73 58.60 2ksq h TYR 35 Cb -0.02 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 2ksq h TYR 35 CO 0.00 1.03 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.81 2ksq h LYS 36 N 0.13 0.34 0.00 4.88 1.63 -0.82 0.59 116.57 123.32 2ksq h LYS 36 Ca -0.06 -0.16 -0.14 0.00 -0.85 0.00 0.00 60.65 59.44 2ksq h LYS 36 Cb 1.56 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.16 2ksq h LYS 36 CO 0.14 0.69 -0.67 1.25 -3.45 0.00 0.00 179.45 177.41 2ksq h LEU 37 N -0.01 0.00 0.11 5.20 6.46 -1.50 0.82 115.31 126.39 2ksq h LEU 37 Ca 0.03 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.57 2ksq h LEU 37 Cb 0.61 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2ksq h LEU 37 CO 0.03 0.67 -1.05 0.50 -0.62 0.00 0.00 178.44 177.97 2ksq h LYS 38 N 0.00 0.23 0.00 1.25 3.11 -1.27 -3.38 116.57 116.51 2ksq h LYS 38 Ca -0.01 -0.39 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 2ksq h LYS 38 Cb 1.31 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.68 2ksq h LYS 38 CO 0.09 1.19 -1.20 1.28 -2.81 0.00 0.00 179.45 177.99 2ksq n LEU 39 N -4.09 0.73 0.00 5.20 7.99 0.21 -4.98 117.00 122.05 2ksq n LEU 39 Ca -0.20 -0.33 0.00 0.00 -0.01 0.00 0.00 56.01 55.47 2ksq n LEU 39 Cb 0.82 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 44.11 2ksq n LEU 39 CO 0.42 0.17 0.00 0.61 -1.51 0.00 0.00 177.39 177.08 2ksq n GLY 40 N 1.44 1.84 2.96 -0.72 0.00 0.29 -4.98 105.19 106.01 2ksq n GLY 40 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2ksq n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksq s GLU 41 N -0.05 0.24 -0.03 1.61 0.41 -1.23 -4.94 118.70 114.70 2ksq s GLU 41 Ca 0.00 -0.43 -0.29 0.00 -0.41 0.00 0.00 54.97 53.84 2ksq s GLU 41 Cb 0.00 0.09 -0.03 0.00 -1.78 0.00 0.00 34.13 32.41 2ksq s GLU 41 CO 0.00 -0.04 0.95 0.08 -0.49 0.00 0.00 175.26 175.76 2ksq s VAL 42 N -1.05 4.88 0.41 2.63 1.01 -1.26 -4.18 120.40 122.84 2ksq s VAL 42 Ca -0.11 1.97 0.04 0.00 0.00 0.00 0.00 61.98 63.88 2ksq s VAL 42 Cb -0.07 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 2ksq s VAL 42 CO -0.01 0.14 0.03 0.27 0.00 0.00 0.00 175.10 175.54 2ksq s ILE 43 N 1.21 1.43 -0.22 2.22 -5.25 -1.26 -5.08 121.20 114.24 2ksq s ILE 43 Ca 0.49 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.86 2ksq s ILE 43 Cb -0.20 -2.67 -0.04 0.00 2.95 0.00 0.00 42.46 42.50 2ksq s ILE 43 CO 0.24 0.00 1.88 0.42 -1.79 0.00 0.00 174.94 175.69 2ksq s THR 44 N -2.96 3.36 0.19 8.37 -4.23 -1.26 -4.98 115.64 114.14 2ksq s THR 44 Ca 0.27 0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 61.15 2ksq s THR 44 Cb 0.07 -3.42 -0.05 0.00 1.34 0.00 0.00 72.50 70.44 2ksq s THR 44 CO 0.13 -0.22 0.40 0.42 -0.54 0.00 0.00 174.62 174.81 2ksq s THR 45 N 6.49 5.18 0.16 3.99 -4.23 -1.26 -5.11 115.64 120.86 2ksq s THR 45 Ca 0.84 -0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 2ksq s THR 45 Cb -0.28 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 69.85 2ksq s THR 45 CO 0.34 -0.12 0.28 0.27 -0.54 0.00 0.00 174.62 174.85 2ksq s ILE 46 N -1.82 0.07 -0.17 2.99 -4.36 -1.26 -5.11 121.20 111.54 2ksq s ILE 46 Ca 0.40 -1.37 -0.31 0.00 -0.26 0.00 0.00 60.65 59.11 2ksq s ILE 46 Cb -0.11 -1.81 -0.08 0.00 1.25 0.00 0.00 42.46 41.70 2ksq s ILE 46 CO 0.28 -0.31 2.11 -2.65 0.24 0.00 0.00 174.94 174.61 2ksq n PRO 47 N -0.21 2.02 -2.93 0.37 -0.02 -1.26 -4.93 135.00 128.04 2ksq n PRO 47 Ca -0.08 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 2ksq n PRO 47 Cb 0.63 -2.95 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 2ksq n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2ksq s THR 48 N 6.66 4.87 -0.09 3.45 -4.23 -1.26 -5.04 115.64 120.00 2ksq s THR 48 Ca 0.99 1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 62.84 2ksq s THR 48 Cb -0.51 -4.09 -0.05 0.00 1.34 0.00 0.00 72.50 69.19 2ksq s THR 48 CO 0.42 -0.04 0.43 -0.51 -0.54 0.00 0.00 174.62 174.38 2ksq s ILE 49 N 2.69 5.15 0.00 2.99 1.10 -1.26 -4.13 121.20 127.74 2ksq s ILE 49 Ca 0.34 0.86 0.00 0.00 -0.51 0.00 0.00 60.65 61.34 2ksq s ILE 49 Cb -0.15 -3.76 0.00 0.00 0.15 0.00 0.00 42.46 38.70 2ksq s ILE 49 CO 0.08 0.41 0.00 0.61 -2.11 0.00 0.00 174.94 173.93 2ksq n GLY 50 N 2.84 0.96 3.17 1.50 0.00 -1.26 -4.90 105.19 107.49 2ksq n GLY 50 Ca -0.10 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 2ksq n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ksq s PHE 51 N 0.00 0.51 0.01 1.61 -0.12 -1.26 -1.76 117.98 116.96 2ksq s PHE 51 Ca 0.00 -0.96 -0.12 0.00 -0.05 0.00 0.00 56.93 55.80 2ksq s PHE 51 Cb 0.00 -0.29 0.01 0.00 -0.63 0.00 0.00 43.02 42.11 2ksq s PHE 51 CO 0.00 -0.50 0.26 1.21 -0.05 0.00 0.00 175.22 176.14 2ksq s ASN 52 N -2.95 -0.09 0.19 1.98 3.84 -0.83 -4.97 114.94 112.11 2ksq s ASN 52 Ca 0.12 -0.11 0.11 0.00 0.21 0.00 0.00 52.86 53.19 2ksq s ASN 52 Cb 0.07 0.30 -0.04 0.00 -0.55 0.00 0.00 41.25 41.02 2ksq s ASN 52 CO -0.06 -0.49 -0.24 -0.69 -2.79 0.00 0.00 177.10 172.83 2ksq s VAL 53 N -1.83 2.34 -0.06 -5.21 1.01 -1.26 0.78 120.40 116.17 2ksq s VAL 53 Ca -0.10 -2.03 -0.02 0.00 0.00 0.00 0.00 61.98 59.83 2ksq s VAL 53 Cb -0.04 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2ksq s VAL 53 CO 0.01 -0.11 0.05 -1.61 0.00 0.00 0.00 175.10 173.44 2ksq s GLU 54 N -2.66 0.06 -0.44 2.72 8.01 -0.71 -4.96 118.70 120.73 2ksq s GLU 54 Ca 0.21 0.28 -0.23 0.00 0.01 0.00 0.00 54.97 55.24 2ksq s GLU 54 Cb -0.08 -0.74 0.02 0.00 -4.31 0.00 0.00 34.13 29.02 2ksq s GLU 54 CO 0.10 -0.36 0.76 0.00 0.01 0.00 0.00 175.26 175.76 2ksq s VAL 56 N 3.19 1.26 -0.11 0.00 1.01 -0.25 -5.02 120.40 120.48 2ksq s VAL 56 Ca 0.29 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 2ksq s VAL 56 Cb -0.13 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2ksq s VAL 56 CO 0.21 0.36 -0.08 -1.10 0.00 0.00 0.00 175.10 174.49 2ksq s GLN 57 N -0.29 3.19 -0.04 2.72 -1.52 -1.26 0.13 119.66 122.59 2ksq s GLN 57 Ca 0.04 -0.59 -0.02 0.00 -1.95 0.00 0.00 55.36 52.85 2ksq s GLN 57 Cb -0.07 -2.69 0.03 0.00 -0.22 0.00 0.00 33.01 30.06 2ksq s GLN 57 CO -0.00 0.41 0.06 -0.47 -0.25 0.00 0.00 175.29 175.04 2ksq s TYR 58 N -0.13 0.07 0.00 0.91 5.04 0.68 -4.95 117.35 118.97 2ksq s TYR 58 Ca 0.01 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 2ksq s TYR 58 Cb -0.13 -0.49 0.00 0.00 0.35 0.00 0.00 41.96 41.69 2ksq s TYR 58 CO 0.03 -0.20 0.00 0.00 -1.34 0.00 0.00 175.55 174.04 2ksq n ASN 60 N 3.73 0.21 -4.65 0.00 3.02 -1.26 -5.10 115.26 111.22 2ksq n ASN 60 Ca 0.00 -1.06 -0.25 0.00 -0.03 0.00 0.00 54.58 53.23 2ksq n ASN 60 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2ksq s ILE 61 N -0.06 3.59 -0.68 2.41 1.09 -0.37 -4.77 121.20 122.41 2ksq s ILE 61 Ca 0.00 -1.59 -0.07 0.00 -1.10 0.00 0.00 60.65 57.88 2ksq s ILE 61 Cb 0.00 -2.84 0.18 0.00 -1.06 0.00 0.00 42.46 38.74 2ksq s ILE 61 CO 0.00 -0.19 0.55 -0.55 -0.10 0.00 0.00 174.94 174.64 2ksq s SER 62 N -3.16 5.82 -0.18 3.58 0.15 -0.74 -0.23 113.70 118.93 2ksq s SER 62 Ca 0.28 -2.71 -0.29 0.00 0.70 0.00 0.00 55.95 53.93 2ksq s SER 62 Cb -0.08 -1.99 -0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2ksq s SER 62 CO 0.19 -0.47 1.09 -0.36 1.20 0.00 0.00 173.24 174.89 2ksq s PHE 63 N 0.15 3.27 -0.33 3.44 0.40 0.35 -2.65 117.98 122.61 2ksq s PHE 63 Ca 0.16 1.38 -0.09 0.00 -0.60 0.00 0.00 56.93 57.79 2ksq s PHE 63 Cb -0.17 -3.31 0.01 0.00 0.51 0.00 0.00 43.02 40.06 2ksq s PHE 63 CO -0.05 -0.74 0.14 -0.08 0.70 0.00 0.00 175.22 175.19 2ksq s THR 64 N 2.92 4.29 -0.40 0.64 -1.32 -0.84 -1.09 115.64 119.84 2ksq s THR 64 Ca 0.48 -0.71 -0.09 0.00 -1.21 0.00 0.00 61.69 60.16 2ksq s THR 64 Cb -0.18 -3.28 0.07 0.00 -1.51 0.00 0.00 72.50 67.60 2ksq s THR 64 CO 0.12 -0.04 0.23 0.68 -2.21 0.00 0.00 174.62 173.40 2ksq s VAL 65 N 1.54 4.19 -0.19 5.08 -7.23 -0.62 0.86 120.40 124.02 2ksq s VAL 65 Ca 0.02 -1.32 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 2ksq s VAL 65 Cb -0.18 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 2ksq s VAL 65 CO 0.05 -0.44 0.58 0.26 -0.31 0.00 0.00 175.10 175.24 2ksq s TRP 66 N 1.43 3.38 -0.35 2.82 0.52 -0.67 -1.74 118.94 124.32 2ksq s TRP 66 Ca 0.02 0.87 -0.05 0.00 0.02 0.00 0.00 56.10 56.97 2ksq s TRP 66 Cb -0.22 -2.74 0.06 0.00 -1.15 0.00 0.00 33.47 29.42 2ksq s TRP 66 CO 0.03 -0.13 0.12 0.34 0.02 0.00 0.00 176.95 177.33 2ksq s ASP 67 N 1.15 5.22 0.05 2.95 -1.08 0.23 -0.05 116.67 125.15 2ksq s ASP 67 Ca 0.27 -1.43 -0.07 0.00 -0.52 0.00 0.00 52.55 50.80 2ksq s ASP 67 Cb -0.16 -1.83 -0.05 0.00 -1.46 0.00 0.00 42.92 39.42 2ksq s ASP 67 CO 0.10 -0.39 0.32 -0.69 0.52 0.00 0.00 175.17 175.03 2ksq s VAL 68 N 1.30 5.23 0.14 1.11 1.01 -1.03 -1.96 120.40 126.21 2ksq s VAL 68 Ca 0.00 0.19 -0.34 0.00 0.00 0.00 0.00 61.98 61.83 2ksq s VAL 68 Cb -0.21 -3.60 -0.16 0.00 0.00 0.00 0.00 36.38 32.41 2ksq s VAL 68 CO 0.00 0.28 1.14 0.61 0.00 0.00 0.00 175.10 177.13 2ksq n GLY 69 N 0.84 -0.03 0.06 4.51 0.00 -0.73 -4.64 105.19 105.21 2ksq n GLY 69 Ca -0.09 0.58 0.12 0.00 0.00 0.00 0.00 46.02 46.64 2ksq n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksq n GLY 70 N 2.04 -1.47 3.62 -0.02 0.00 -1.25 -4.44 105.19 103.67 2ksq n GLY 70 Ca 0.16 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2ksq n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ksq n GLN 71 N -2.04 0.83 -0.13 1.61 6.02 -1.25 -4.10 117.38 118.33 2ksq n GLN 71 Ca 0.04 0.33 -0.04 0.00 -0.01 0.00 0.00 57.00 57.32 2ksq n GLN 71 Cb 0.42 -2.20 0.03 0.00 1.02 0.00 0.00 30.24 29.50 2ksq n GLN 71 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 2ksq h ASP 72 N 0.34 -0.28 -0.17 1.08 2.03 -1.92 0.24 116.42 117.74 2ksq h ASP 72 Ca -0.49 0.11 0.05 0.00 -0.73 0.00 0.00 57.03 55.97 2ksq h ASP 72 Cb 1.36 0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 40.07 2ksq h ASP 72 CO 0.50 -0.10 0.16 0.03 -1.03 0.00 0.00 179.24 178.80 2ksq h ARG 73 N 0.05 0.00 0.00 4.15 -0.00 -1.97 0.78 114.38 117.39 2ksq h ARG 73 Ca 0.20 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.59 2ksq h ARG 73 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.26 2ksq h ARG 73 CO -0.39 0.00 -0.66 0.82 0.00 0.00 0.00 179.97 179.75 2ksq h ILE 74 N 0.00 0.58 -1.14 2.04 1.08 -0.88 -3.36 117.51 115.83 2ksq h ILE 74 Ca 0.08 -1.87 0.44 0.00 -0.39 0.00 0.00 64.86 63.12 2ksq h ILE 74 Cb 0.39 2.19 -0.16 0.00 -3.07 0.00 0.00 36.82 36.17 2ksq h ILE 74 CO -0.00 0.33 0.66 -0.09 -0.69 0.00 0.00 178.15 178.36 2ksq h ARG 75 N 0.00 0.01 -0.16 2.37 2.43 0.80 0.83 114.38 120.66 2ksq h ARG 75 Ca -0.04 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 2ksq h ARG 75 Cb 1.33 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 2ksq h ARG 75 CO 0.05 0.01 -0.48 0.66 -1.51 0.00 0.00 179.97 178.69 2ksq h SER 76 N 0.01 0.45 -0.04 -3.80 4.64 -1.73 -2.97 113.55 110.11 2ksq h SER 76 Ca 0.86 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.97 2ksq h SER 76 Cb 2.44 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 64.40 2ksq h SER 76 CO -0.66 0.87 0.19 -0.07 -0.87 0.00 0.00 176.83 176.29 2ksq h LEU 77 N 0.33 0.00 -2.46 5.97 -0.00 0.45 -1.47 115.31 118.14 2ksq h LEU 77 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2ksq h LEU 77 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 2ksq h LEU 77 CO 0.08 0.00 0.03 -0.50 -0.00 0.00 0.00 178.44 178.06 2ksq h TRP 78 N 0.00 0.00 -0.06 1.13 6.55 -1.54 -0.21 115.95 121.83 2ksq h TRP 78 Ca 0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2ksq h TRP 78 Cb 0.40 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.70 2ksq h TRP 78 CO 0.00 0.00 0.00 0.54 -1.05 0.00 0.00 178.44 177.93 2ksq n ARG 79 N -2.82 1.19 -0.09 0.49 1.74 -0.55 -3.27 116.66 113.34 2ksq n ARG 79 Ca -0.02 -0.29 0.07 0.00 -0.77 0.00 0.00 57.85 56.84 2ksq n ARG 79 Cb 0.09 -1.22 0.11 0.00 -1.02 0.00 0.00 32.46 30.42 2ksq n ARG 79 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2ksq n HIS 80 N -0.41 0.10 0.14 -1.55 8.25 -0.09 -4.71 115.22 116.95 2ksq n HIS 80 Ca 0.10 -0.84 0.05 0.00 -0.26 0.00 0.00 57.72 56.77 2ksq n HIS 80 Cb 0.11 -0.13 0.23 0.00 1.12 0.00 0.00 29.99 31.32 2ksq n HIS 80 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 2ksq n TYR 81 N -1.04 0.25 -0.49 4.41 0.18 -1.20 -4.83 117.16 114.44 2ksq n TYR 81 Ca 0.12 0.12 0.00 0.00 1.88 0.00 0.00 57.90 60.02 2ksq n TYR 81 Cb 0.55 -0.69 0.00 0.00 -0.38 0.00 0.00 39.34 38.82 2ksq n TYR 81 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 2ksq n TYR 82 N -1.75 0.00 -1.99 -3.48 9.36 -1.26 -4.70 117.16 113.34 2ksq n TYR 82 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2ksq n TYR 82 Cb 0.05 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2ksq n ASN 84 N 1.71 0.00 -4.68 0.00 5.03 -1.26 -5.13 115.26 110.93 2ksq n ASN 84 Ca 0.00 0.00 -0.48 0.00 0.87 0.00 0.00 54.58 54.97 2ksq n ASN 84 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 2ksq n ASN 84 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2ksq n THR 85 N 0.00 0.55 0.03 3.41 -2.24 -1.26 -4.55 114.28 110.21 2ksq n THR 85 Ca 0.00 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.76 2ksq n THR 85 Cb 0.00 -1.84 -0.09 0.00 -2.10 0.00 0.00 70.33 66.30 2ksq n THR 85 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ksq n GLU 86 N 6.45 0.63 -3.70 -0.78 -0.58 0.11 -4.66 120.64 118.12 2ksq n GLU 86 Ca 0.22 0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.85 2ksq n GLU 86 Cb 0.29 -1.69 -0.13 0.00 -0.57 0.00 0.00 31.44 29.35 2ksq n GLU 86 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2ksq s GLY 87 N -4.59 -0.17 0.16 0.62 0.00 -0.39 -3.01 107.32 99.95 2ksq s GLY 87 Ca -0.04 1.08 0.05 0.00 0.00 0.00 0.00 44.72 45.80 2ksq s GLY 87 CO 0.84 1.58 0.16 0.14 0.00 0.00 0.00 173.10 175.83 2ksq s VAL 88 N 1.70 4.61 -0.30 1.40 1.01 -0.63 -0.73 120.40 127.46 2ksq s VAL 88 Ca -0.06 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2ksq s VAL 88 Cb -0.11 -3.36 0.09 0.00 0.00 0.00 0.00 36.38 33.00 2ksq s VAL 88 CO -0.09 -0.11 0.03 -0.63 0.00 0.00 0.00 175.10 174.29 2ksq s ILE 89 N -1.75 1.76 -0.21 2.22 1.01 0.29 0.87 121.20 125.39 2ksq s ILE 89 Ca 0.31 -1.81 -0.26 0.00 0.00 0.00 0.00 60.65 58.89 2ksq s ILE 89 Cb -0.10 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 2ksq s ILE 89 CO 0.24 -0.46 0.89 0.12 0.00 0.00 0.00 174.94 175.73 2ksq s PHE 90 N 1.20 3.37 -0.17 3.97 5.36 0.33 -2.77 117.98 129.26 2ksq s PHE 90 Ca 0.05 1.29 -0.15 0.00 -0.96 0.00 0.00 56.93 57.16 2ksq s PHE 90 Cb -0.19 -3.10 -0.04 0.00 -0.34 0.00 0.00 43.02 39.35 2ksq s PHE 90 CO -0.12 -0.36 0.35 0.08 -1.46 0.00 0.00 175.22 173.72 2ksq s VAL 91 N 2.65 5.25 -0.09 3.12 1.01 -0.74 -2.29 120.40 129.31 2ksq s VAL 91 Ca 0.39 0.65 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2ksq s VAL 91 Cb -0.16 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2ksq s VAL 91 CO 0.09 0.33 -0.13 0.54 0.00 0.00 0.00 175.10 175.93 2ksq s VAL 92 N 0.83 1.26 0.09 2.92 0.11 -1.17 -4.07 120.40 120.38 2ksq s VAL 92 Ca 0.18 -0.51 -0.31 0.00 -2.93 0.00 0.00 61.98 58.42 2ksq s VAL 92 Cb -0.14 -1.17 -0.08 0.00 -1.53 0.00 0.00 36.38 33.46 2ksq s VAL 92 CO 0.06 0.39 1.54 1.51 -3.33 0.00 0.00 175.10 175.28 2ksq s ASP 93 N 1.00 6.68 -0.04 3.54 1.47 -1.26 -1.57 116.67 126.48 2ksq s ASP 93 Ca -0.08 2.44 -0.02 0.00 1.18 0.00 0.00 52.55 56.07 2ksq s ASP 93 Cb -0.15 -2.58 -0.27 0.00 -0.34 0.00 0.00 42.92 39.59 2ksq s ASP 93 CO -0.01 -0.80 0.67 0.28 0.68 0.00 0.00 175.17 176.00 2ksq h SER 94 N 7.55 0.35 -0.03 2.11 0.02 -1.84 -3.34 113.55 118.36 2ksq h SER 94 Ca -0.42 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 59.94 2ksq h SER 94 Cb 1.20 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2ksq h SER 94 CO 0.91 1.51 0.00 0.59 -1.14 0.00 0.00 176.83 178.70 2ksq n ASN 95 N -3.40 0.71 -3.96 3.07 3.02 -1.26 -3.93 115.26 109.51 2ksq n ASN 95 Ca -0.21 -1.34 -0.32 0.00 -0.03 0.00 0.00 54.58 52.68 2ksq n ASN 95 Cb 1.05 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 40.12 2ksq n ASN 95 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ksq n ASP 96 N -0.40 3.76 0.22 6.41 8.00 -1.25 -4.88 116.55 128.39 2ksq n ASP 96 Ca 0.19 -3.21 0.07 0.00 0.71 0.00 0.00 54.79 52.56 2ksq n ASP 96 Cb 0.21 -0.90 0.49 0.00 -0.02 0.00 0.00 41.12 40.90 2ksq n ASP 96 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2ksq h ARG 97 N 5.54 0.00 -0.55 -1.24 2.43 -1.85 -3.10 114.38 115.60 2ksq h ARG 97 Ca 0.16 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2ksq h ARG 97 Cb 0.76 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 2ksq h ARG 97 CO 0.81 0.27 0.29 1.03 -1.51 0.00 0.00 179.97 180.86 2ksq h SER 98 N 0.00 0.43 0.03 -3.80 0.87 -1.98 -2.33 113.55 106.77 2ksq h SER 98 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2ksq h SER 98 Cb 0.59 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2ksq h SER 98 CO 0.03 0.29 -0.05 0.54 -0.53 0.00 0.00 176.83 177.12 2ksq n ARG 99 N -4.85 1.51 -0.00 2.24 3.00 -1.18 -4.41 116.66 112.97 2ksq n ARG 99 Ca 0.05 -0.88 0.21 0.00 -0.01 0.00 0.00 57.85 57.22 2ksq n ARG 99 Cb 0.14 -1.48 0.48 0.00 0.00 0.00 0.00 32.46 31.59 2ksq n ARG 99 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2ksq h ILE 100 N 2.14 0.09 0.03 0.55 1.08 -1.35 0.85 117.51 120.89 2ksq h ILE 100 Ca 0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.25 2ksq h ILE 100 Cb 0.50 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 2ksq h ILE 100 CO 0.00 0.00 -1.00 1.23 -0.69 0.00 0.00 178.15 177.69 2ksq h GLY 101 N 0.00 0.10 0.46 5.37 0.00 -1.81 -3.03 103.07 104.17 2ksq h GLY 101 Ca 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 2ksq h GLY 101 CO -0.00 0.20 -0.00 0.83 0.00 0.00 0.00 176.54 177.56 2ksq h GLU 102 N 0.03 0.00 0.00 4.80 5.08 0.40 -0.87 114.58 124.03 2ksq h GLU 102 Ca -0.04 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2ksq h GLU 102 Cb 1.72 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.92 2ksq h GLU 102 CO 0.14 0.54 -0.31 0.00 -1.00 0.00 0.00 179.01 178.39 2ksq h ALA 103 N 0.46 -0.44 -0.60 3.43 0.00 -1.57 0.20 119.26 120.74 2ksq h ALA 103 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2ksq h ALA 103 Cb 0.54 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2ksq h ALA 103 CO 0.00 -0.82 0.32 0.07 0.00 0.00 0.00 179.25 178.82 2ksq h ARG 104 N -0.46 0.84 -0.43 0.00 -0.00 -1.61 -2.25 114.38 110.46 2ksq h ARG 104 Ca 0.06 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.98 59.94 2ksq h ARG 104 Cb 0.54 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.97 30.33 2ksq h ARG 104 CO -0.26 0.64 0.26 0.93 -0.00 0.00 0.00 179.97 181.55 2ksq h GLU 105 N 0.81 0.58 -0.39 0.08 4.39 -0.59 -2.11 114.58 117.35 2ksq h GLU 105 Ca 0.21 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.71 2ksq h GLU 105 Cb 0.06 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2ksq h GLU 105 CO -0.03 0.41 -0.37 0.28 -1.16 0.00 0.00 179.01 178.14 2ksq h VAL 106 N 0.59 1.27 0.05 3.13 2.07 -0.12 -2.91 116.25 120.33 2ksq h VAL 106 Ca 0.16 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 2ksq h VAL 106 Cb -0.02 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2ksq h VAL 106 CO -0.03 0.52 -0.02 0.24 0.02 0.00 0.00 177.57 178.30 2ksq h MET 107 N 0.77 -0.06 -0.85 1.57 2.86 -0.84 -2.33 114.93 116.05 2ksq h MET 107 Ca 0.07 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.84 2ksq h MET 107 Cb 0.96 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.54 2ksq h MET 107 CO 0.09 -0.02 0.46 1.96 1.06 0.00 0.00 176.91 180.46 2ksq h GLN 108 N -0.08 0.66 -0.76 1.72 4.20 -1.41 0.30 115.11 119.74 2ksq h GLN 108 Ca -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2ksq h GLN 108 Cb 0.06 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 2ksq h GLN 108 CO 0.01 0.44 0.40 -0.09 -0.67 0.00 0.00 178.83 178.92 2ksq h ARG 109 N 0.68 1.06 -0.20 1.46 9.65 -1.29 0.32 114.38 126.07 2ksq h ARG 109 Ca 0.45 -0.13 -0.08 0.00 -1.10 0.00 0.00 59.98 59.12 2ksq h ARG 109 Cb 0.58 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2ksq h ARG 109 CO -0.33 0.79 -0.20 0.52 2.80 0.00 0.00 179.97 183.56 2ksq h MET 110 N 1.07 0.49 0.00 0.20 2.86 -0.37 -2.66 114.93 116.51 2ksq h MET 110 Ca 0.27 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ksq h MET 110 Cb 0.05 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2ksq h MET 110 CO -0.04 0.83 0.00 -0.07 1.06 0.00 0.00 176.91 178.69 2ksq h LEU 111 N 0.16 0.00 -0.92 1.22 4.07 -0.11 -2.92 115.31 116.80 2ksq h LEU 111 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2ksq h LEU 111 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 2ksq h LEU 111 CO 0.05 0.00 -0.25 -3.20 -1.08 0.00 0.00 178.44 173.95 2ksq n ASN 112 N -3.05 1.68 -4.71 -0.43 4.05 0.11 -4.86 115.26 108.06 2ksq n ASN 112 Ca 0.02 -1.34 -0.40 0.00 0.45 0.00 0.00 54.58 53.31 2ksq n ASN 112 Cb 0.37 0.21 -0.04 0.00 1.23 0.00 0.00 39.78 41.54 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2ksq s GLU 113 N -2.35 4.43 0.33 1.20 0.41 -1.01 -4.94 118.70 116.77 2ksq s GLU 113 Ca 0.25 0.94 0.06 0.00 -0.41 0.00 0.00 54.97 55.82 2ksq s GLU 113 Cb 0.19 -3.46 0.59 0.00 -1.78 0.00 0.00 34.13 29.67 2ksq s GLU 113 CO 0.48 0.01 1.82 -0.44 -0.49 0.00 0.00 175.26 176.63 2ksq h ASP 114 N 6.84 0.33 0.74 -0.19 3.32 -1.90 -1.21 116.42 124.35 2ksq h ASP 114 Ca -0.40 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2ksq h ASP 114 Cb 1.19 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2ksq h ASP 114 CO 0.76 0.55 0.00 -0.33 -1.72 0.00 0.00 179.24 178.50 2ksq h GLU 115 N 0.31 0.00 0.00 3.56 5.08 -1.94 -2.99 114.58 118.60 2ksq h GLU 115 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2ksq h GLU 115 Cb 0.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2ksq h GLU 115 CO 0.04 0.00 -0.29 1.28 -1.00 0.00 0.00 179.01 179.04 2ksq n LEU 116 N -2.53 1.64 0.00 1.33 4.77 -0.78 -4.73 117.00 116.70 2ksq n LEU 116 Ca 0.01 -2.53 0.13 0.00 -0.03 0.00 0.00 56.01 53.59 2ksq n LEU 116 Cb 0.23 -0.29 0.73 0.00 -2.33 0.00 0.00 43.42 41.76 2ksq n LEU 116 CO 0.21 0.66 0.95 0.00 -1.33 0.00 0.00 177.39 177.88 2ksq n ASN 118 N -1.12 1.24 -4.88 0.00 0.23 -1.26 -5.00 115.26 104.46 2ksq n ASN 118 Ca 0.17 -1.12 -0.33 0.00 -0.53 0.00 0.00 54.58 52.77 2ksq n ASN 118 Cb 0.14 0.47 -0.05 0.00 -2.08 0.00 0.00 39.78 38.25 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ksq s ALA 119 N -1.39 3.76 0.94 -2.53 0.00 -1.11 -4.87 121.76 116.56 2ksq s ALA 119 Ca 0.09 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.42 2ksq s ALA 119 Cb 0.08 -2.19 0.17 0.00 0.00 0.00 0.00 23.12 21.18 2ksq s ALA 119 CO 0.26 0.62 1.23 0.00 0.00 0.00 0.00 175.76 177.87 2ksq s ALA 120 N -1.54 2.07 -0.35 0.00 0.00 -1.16 -4.78 121.76 116.00 2ksq s ALA 120 Ca 0.37 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.42 2ksq s ALA 120 Cb -0.13 -2.88 0.14 0.00 0.00 0.00 0.00 23.12 20.26 2ksq s ALA 120 CO 0.21 -2.36 0.26 -1.58 0.00 0.00 0.00 175.76 172.30 2ksq s TRP 121 N -3.60 0.36 -0.26 0.00 0.23 -1.07 -1.60 118.94 113.00 2ksq s TRP 121 Ca 0.69 -1.32 -0.19 0.00 -2.03 0.00 0.00 56.10 53.25 2ksq s TRP 121 Cb -0.08 -0.74 -0.03 0.00 0.03 0.00 0.00 33.47 32.65 2ksq s TRP 121 CO 0.52 -0.88 0.55 -1.17 0.96 0.00 0.00 176.95 176.94 2ksq s LEU 122 N 1.24 4.06 -0.12 2.99 0.20 0.25 -2.95 118.68 124.36 2ksq s LEU 122 Ca 0.17 0.58 -0.14 0.00 0.69 0.00 0.00 54.13 55.43 2ksq s LEU 122 Cb -0.20 -2.72 -0.05 0.00 -0.43 0.00 0.00 46.19 42.79 2ksq s LEU 122 CO -0.02 -0.31 0.34 -0.69 -0.29 0.00 0.00 176.35 175.39 2ksq s VAL 123 N 2.34 5.24 -0.26 1.68 1.01 0.29 0.12 120.40 130.82 2ksq s VAL 123 Ca 0.23 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 2ksq s VAL 123 Cb -0.16 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.64 2ksq s VAL 123 CO 0.09 0.43 0.09 -0.36 0.00 0.00 0.00 175.10 175.35 2ksq s PHE 124 N 0.09 0.87 -0.36 5.22 0.08 -0.97 -1.33 117.98 121.58 2ksq s PHE 124 Ca 0.20 -1.04 -0.27 0.00 0.12 0.00 0.00 56.93 55.93 2ksq s PHE 124 Cb -0.14 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 2ksq s PHE 124 CO 0.07 -0.75 2.14 0.00 -0.10 0.00 0.00 175.22 176.58 2ksq s ALA 125 N 1.91 2.41 0.71 5.36 0.00 -0.91 -3.03 121.76 128.20 2ksq s ALA 125 Ca 0.06 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 2ksq s ALA 125 Cb -0.17 -4.16 0.02 0.00 0.00 0.00 0.00 23.12 18.81 2ksq s ALA 125 CO -0.23 -3.32 1.08 0.54 0.00 0.00 0.00 175.76 173.83 2ksq s ASN 126 N 8.82 5.34 -1.43 0.00 4.22 -0.61 -2.15 114.94 129.13 2ksq s ASN 126 Ca 0.92 1.34 0.00 0.00 -2.14 0.00 0.00 52.86 52.98 2ksq s ASN 126 Cb -0.24 -2.19 0.00 0.00 1.28 0.00 0.00 41.25 40.10 2ksq s ASN 126 CO 0.31 -1.44 0.00 1.17 -2.04 0.00 0.00 177.10 175.10 2ksq n LYS 127 N -3.10 -1.07 0.26 3.55 3.00 -1.25 -2.84 118.16 116.72 2ksq n LYS 127 Ca 0.07 0.89 0.12 0.00 -0.00 0.00 0.00 58.31 59.39 2ksq n LYS 127 Cb 0.55 -5.09 0.75 0.00 0.00 0.00 0.00 35.03 31.25 2ksq n LYS 127 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2ksq h GLN 128 N 0.00 0.00 0.00 1.64 1.08 -1.63 -0.80 115.11 115.40 2ksq h GLN 128 Ca -0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 2ksq h GLN 128 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2ksq h GLN 128 CO 0.43 0.00 0.00 -0.40 -0.95 0.00 0.00 178.83 177.91 2ksq n ASP 129 N -4.24 0.49 -4.72 1.46 5.75 -1.26 -4.56 116.55 109.46 2ksq n ASP 129 Ca -0.02 0.66 -0.42 0.00 -0.01 0.00 0.00 54.79 55.00 2ksq n ASP 129 Cb 0.12 -0.75 -0.03 0.00 -1.03 0.00 0.00 41.12 39.43 2ksq n ASP 129 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2ksq s LEU 130 N -4.17 4.39 0.57 -2.12 2.96 -0.31 -4.89 118.68 115.12 2ksq s LEU 130 Ca 0.02 2.32 0.31 0.00 -0.22 0.00 0.00 54.13 56.56 2ksq s LEU 130 Cb 0.07 -3.60 1.44 0.00 0.50 0.00 0.00 46.19 44.61 2ksq s LEU 130 CO 0.27 -0.58 1.80 -0.65 -1.32 0.00 0.00 176.35 175.88 2ksq h PRO 131 N 6.20 0.00 -0.84 0.98 0.11 -1.89 0.50 132.00 137.07 2ksq h PRO 131 Ca -0.43 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.32 2ksq h PRO 131 Cb 1.21 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.11 2ksq h PRO 131 CO 0.82 0.00 0.44 -0.85 -0.21 0.00 0.00 178.00 178.20 2ksq n GLU 132 N -3.88 2.85 -1.92 1.05 0.28 -1.26 -4.99 120.64 112.76 2ksq n GLU 132 Ca 0.17 -3.06 -0.42 0.00 -0.16 0.00 0.00 57.16 53.69 2ksq n GLU 132 Cb 0.98 -2.17 -0.03 0.00 1.43 0.00 0.00 31.44 31.65 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ksq s ALA 133 N -3.17 3.77 0.55 -1.84 0.00 0.18 -4.66 121.76 116.59 2ksq s ALA 133 Ca 0.55 1.39 -0.20 0.00 0.00 0.00 0.00 51.96 53.70 2ksq s ALA 133 Cb 0.46 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 2ksq s ALA 133 CO 0.11 -0.79 1.18 -1.64 0.00 0.00 0.00 175.76 174.62 2ksq s MET 134 N 0.87 3.27 0.74 0.00 -1.94 -1.25 -5.00 119.30 115.98 2ksq s MET 134 Ca 0.69 1.75 -0.11 0.00 -1.71 0.00 0.00 55.69 56.31 2ksq s MET 134 Cb -0.44 -2.06 0.04 0.00 2.01 0.00 0.00 34.83 34.38 2ksq s MET 134 CO 0.34 -0.95 1.08 0.45 -0.01 0.00 0.00 175.02 175.92 2ksq s SER 135 N -1.59 4.97 0.33 3.03 0.15 -1.26 -4.91 113.70 114.42 2ksq s SER 135 Ca 0.73 1.53 0.07 0.00 0.70 0.00 0.00 55.95 58.98 2ksq s SER 135 Cb -0.28 -2.34 0.59 0.00 -1.71 0.00 0.00 66.02 62.28 2ksq s SER 135 CO 0.32 -1.70 1.80 0.00 1.20 0.00 0.00 173.24 174.86 2ksq h ALA 136 N -0.90 1.29 -0.16 5.45 0.00 -1.99 -2.67 119.26 120.27 2ksq h ALA 136 Ca -0.45 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.04 2ksq h ALA 136 Cb 1.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2ksq h ALA 136 CO 0.57 0.48 -0.39 0.00 0.00 0.00 0.00 179.25 179.91 2ksq h ALA 137 N 1.49 1.04 0.00 0.00 0.00 -1.99 -2.45 119.26 117.35 2ksq h ALA 137 Ca 0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2ksq h ALA 137 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ksq h ALA 137 CO 0.04 0.60 -0.08 0.93 0.00 0.00 0.00 179.25 180.74 2ksq h GLU 138 N 0.29 0.05 -0.95 0.00 4.39 -1.89 -2.38 114.58 114.10 2ksq h GLU 138 Ca 0.03 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.71 2ksq h GLU 138 Cb 0.82 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 2ksq h GLU 138 CO 0.07 0.85 0.62 0.82 -1.16 0.00 0.00 179.01 180.21 2ksq h ILE 139 N -0.73 1.16 -0.14 3.13 2.04 -1.54 -1.81 117.51 119.62 2ksq h ILE 139 Ca -0.01 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 2ksq h ILE 139 Cb 0.88 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2ksq h ILE 139 CO 0.02 0.22 -0.08 0.71 0.00 0.00 0.00 178.15 179.02 2ksq h THR 140 N 1.19 1.32 0.50 -0.27 1.35 -1.52 -2.69 112.91 112.79 2ksq h THR 140 Ca 0.38 -1.14 -0.02 0.00 -0.55 0.00 0.00 66.41 65.08 2ksq h THR 140 Cb 0.02 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2ksq h THR 140 CO -0.12 0.33 -0.30 -0.08 -0.25 0.00 0.00 175.52 175.10 2ksq h GLU 141 N -0.06 -0.73 -0.55 4.72 4.81 -1.10 -2.03 114.58 119.64 2ksq h GLU 141 Ca 0.03 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 2ksq h GLU 141 Cb 0.55 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 2ksq h GLU 141 CO 0.02 -0.49 0.37 0.87 -0.73 0.00 0.00 179.01 179.06 2ksq h LYS 142 N -0.76 0.34 0.00 1.92 6.56 -1.43 0.12 116.57 123.33 2ksq h LYS 142 Ca -0.06 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 2ksq h LYS 142 Cb 0.61 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 2ksq h LYS 142 CO 0.07 0.22 0.00 1.28 -2.06 0.00 0.00 179.45 178.96 2ksq n LEU 143 N -4.46 0.00 -2.70 2.94 4.77 -1.01 -4.87 117.00 111.66 2ksq n LEU 143 Ca 0.09 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 2ksq n LEU 143 Cb 0.36 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2ksq n LEU 143 CO 0.34 0.00 -0.14 0.61 -1.33 0.00 0.00 177.39 176.87 2ksq n GLY 144 N 0.83 -0.51 0.29 -0.72 0.00 0.42 -4.88 105.19 100.62 2ksq n GLY 144 Ca 0.20 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 2ksq n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ksq h LEU 145 N -0.64 0.95 -2.40 0.99 -0.00 -1.57 -2.85 115.31 109.80 2ksq h LEU 145 Ca -0.50 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.07 2ksq h LEU 145 Cb 1.36 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2ksq h LEU 145 CO 0.57 1.07 0.00 0.45 -0.00 0.00 0.00 178.44 180.53 2ksq h HIS 146 N 0.85 0.00 -0.29 1.13 3.86 -1.89 -1.13 115.15 117.68 2ksq h HIS 146 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2ksq h HIS 146 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2ksq h HIS 146 CO 0.04 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.26 2ksq n SER 147 N -2.82 3.15 -4.35 2.45 7.64 -1.08 -4.88 113.62 113.74 2ksq n SER 147 Ca -0.02 -1.92 -0.41 0.00 1.01 0.00 0.00 58.87 57.53 2ksq n SER 147 Cb 0.08 -0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 62.98 2ksq n SER 147 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ksq s ILE 148 N -1.41 4.51 -0.09 0.44 1.01 -0.43 -4.89 121.20 120.35 2ksq s ILE 148 Ca 0.32 -1.01 0.19 0.00 0.00 0.00 0.00 60.65 60.15 2ksq s ILE 148 Cb 0.19 -3.59 0.40 0.00 0.01 0.00 0.00 42.46 39.48 2ksq s ILE 148 CO 0.27 -0.32 1.18 -1.14 0.00 0.00 0.00 174.94 174.93 2ksq n ARG 149 N 4.99 0.66 0.00 2.79 3.00 -1.26 -4.74 116.66 122.10 2ksq n ARG 149 Ca -0.11 -2.48 0.04 0.00 -0.00 0.00 0.00 57.85 55.29 2ksq n ARG 149 Cb 0.45 -0.70 -0.01 0.00 0.00 0.00 0.00 32.46 32.20 2ksq n ARG 149 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2ksq n ASN 150 N -0.22 0.96 -3.75 6.15 2.85 -1.26 -5.00 115.26 114.98 2ksq n ASN 150 Ca 0.11 -0.98 -0.13 0.00 -0.11 0.00 0.00 54.58 53.48 2ksq n ASN 150 Cb 0.93 0.55 -0.11 0.00 1.24 0.00 0.00 39.78 42.39 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2ksq s ARG 151 N -1.24 0.35 -0.24 1.20 3.00 -1.26 -5.12 118.95 115.63 2ksq s ARG 151 Ca 0.06 0.48 -0.29 0.00 0.00 0.00 0.00 55.73 55.98 2ksq s ARG 151 Cb 0.06 0.12 -0.03 0.00 0.00 0.00 0.00 34.95 35.10 2ksq s ARG 151 CO 0.21 -0.07 1.82 -1.25 0.00 0.00 0.00 175.30 176.01 2ksq s PRO 152 N 0.43 3.53 0.04 3.54 0.04 -1.26 -4.98 135.00 136.35 2ksq s PRO 152 Ca -0.02 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2ksq s PRO 152 Cb -0.04 -4.16 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 2ksq s PRO 152 CO -0.02 -1.62 -0.06 1.67 0.04 0.00 0.00 177.00 177.01 2ksq s TRP 153 N 6.32 0.56 0.01 0.56 1.48 -1.26 -2.58 118.94 124.02 2ksq s TRP 153 Ca 0.81 -0.62 -0.01 0.00 -1.06 0.00 0.00 56.10 55.22 2ksq s TRP 153 Cb -0.27 -0.35 -0.01 0.00 -1.16 0.00 0.00 33.47 31.68 2ksq s TRP 153 CO 0.33 -0.15 0.01 -0.06 -4.06 0.00 0.00 176.95 173.02 2ksq s PHE 154 N -1.93 0.13 -0.19 1.66 0.08 -1.15 -4.99 117.98 111.59 2ksq s PHE 154 Ca -0.07 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.69 2ksq s PHE 154 Cb -0.06 -0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.28 2ksq s PHE 154 CO -0.02 -0.14 -0.11 -1.50 -0.10 0.00 0.00 175.22 173.35 2ksq s ILE 155 N -0.95 2.84 -0.01 0.64 2.07 -1.26 0.10 121.20 124.63 2ksq s ILE 155 Ca -0.10 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.48 2ksq s ILE 155 Cb -0.06 -2.25 -0.00 0.00 0.13 0.00 0.00 42.46 40.28 2ksq s ILE 155 CO -0.00 0.48 -0.08 -1.58 -1.91 0.00 0.00 174.94 171.84 2ksq s GLN 156 N 1.28 0.72 -0.23 3.50 -0.44 -0.44 -5.01 119.66 119.03 2ksq s GLN 156 Ca 0.03 -0.29 -0.29 0.00 -2.50 0.00 0.00 55.36 52.32 2ksq s GLN 156 Cb -0.14 -0.69 -0.02 0.00 -1.64 0.00 0.00 33.01 30.51 2ksq s GLN 156 CO -0.06 0.16 1.58 0.00 0.50 0.00 0.00 175.29 177.47 2ksq s ALA 157 N -0.08 3.29 -0.12 1.58 0.00 -1.26 -2.15 121.76 123.01 2ksq s ALA 157 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2ksq s ALA 157 Cb -0.05 -3.84 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 2ksq s ALA 157 CO -0.00 -1.92 -0.14 0.99 0.00 0.00 0.00 175.76 174.69 2ksq s THR 158 N 5.09 3.01 -0.31 0.00 2.01 -0.91 -4.72 115.64 119.81 2ksq s THR 158 Ca 0.70 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 62.03 2ksq s THR 158 Cb -0.24 -2.25 0.09 0.00 0.01 0.00 0.00 72.50 70.11 2ksq s THR 158 CO 0.28 0.53 0.05 0.00 -0.69 0.00 0.00 174.62 174.80 2ksq h ALA 160 N 7.87 0.60 -0.92 0.00 0.00 -1.92 0.66 119.26 125.54 2ksq h ALA 160 Ca -0.10 -0.71 0.17 0.00 0.00 0.00 0.00 54.91 54.27 2ksq h ALA 160 Cb 1.03 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2ksq h ALA 160 CO 0.48 0.92 0.59 1.15 0.00 0.00 0.00 179.25 182.39 2ksq h THR 161 N 0.09 0.77 0.00 0.00 2.02 -1.93 -3.06 112.91 110.79 2ksq h THR 161 Ca -0.03 -0.22 -0.25 0.00 0.77 0.00 0.00 66.41 66.68 2ksq h THR 161 Cb 1.44 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 2ksq h THR 161 CO 0.12 0.12 -1.94 -1.20 0.37 0.00 0.00 175.52 172.98 2ksq n SER 162 N -4.59 2.35 0.00 4.18 7.64 -1.22 -4.75 113.62 117.23 2ksq n SER 162 Ca 0.19 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2ksq n SER 162 Cb 0.55 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 2ksq n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ksq n GLY 163 N 2.51 0.78 3.76 0.23 0.00 0.23 -4.98 105.19 107.72 2ksq n GLY 163 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2ksq n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksq s GLU 164 N -0.89 4.45 0.00 1.61 2.12 -1.13 -2.88 118.70 121.97 2ksq s GLU 164 Ca 0.00 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.40 2ksq s GLU 164 Cb 0.00 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.27 2ksq s GLU 164 CO 0.00 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2ksq n GLY 165 N 1.12 2.86 0.23 -1.50 0.00 -1.26 -3.45 105.19 103.18 2ksq n GLY 165 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2ksq n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ksq h LEU 166 N 0.00 0.72 -0.45 0.99 3.38 -1.85 -2.87 115.31 115.23 2ksq h LEU 166 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2ksq h LEU 166 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2ksq h LEU 166 CO 0.00 0.79 0.28 0.10 0.09 0.00 0.00 178.44 179.70 2ksq h TYR 167 N 0.61 0.58 -0.85 1.13 -0.00 -1.90 -2.54 116.97 114.00 2ksq h TYR 167 Ca 0.14 0.01 0.07 0.00 -0.00 0.00 0.00 58.73 58.94 2ksq h TYR 167 Cb 0.37 -0.19 -0.06 0.00 -0.00 0.00 0.00 36.73 36.86 2ksq h TYR 167 CO 0.03 0.39 0.56 0.93 -0.00 0.00 0.00 178.16 180.06 2ksq h GLU 168 N 0.60 0.92 -0.53 0.10 4.39 -1.93 -2.41 114.58 115.72 2ksq h GLU 168 Ca 0.16 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2ksq h GLU 168 Cb -0.03 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.38 2ksq h GLU 168 CO -0.03 0.61 0.31 0.78 -1.16 0.00 0.00 179.01 179.51 2ksq h GLY 169 N 0.94 0.78 2.00 -3.84 0.00 -1.23 -1.51 103.07 100.20 2ksq h GLY 169 Ca 0.37 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 2ksq h GLY 169 CO -0.14 0.32 -0.30 -2.00 0.00 0.00 0.00 176.54 174.42 2ksq h LEU 170 N 0.71 0.00 -0.27 3.11 5.85 -1.32 -2.65 115.31 120.73 2ksq h LEU 170 Ca 0.19 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.71 2ksq h LEU 170 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2ksq h LEU 170 CO -0.03 0.30 -0.69 -0.33 -0.34 0.00 0.00 178.44 177.36 2ksq h GLU 171 N 0.00 0.75 -0.37 1.25 5.08 -1.00 -2.56 114.58 117.72 2ksq h GLU 171 Ca -0.00 -0.55 -0.04 0.00 -1.00 0.00 0.00 59.36 57.77 2ksq h GLU 171 Cb 0.56 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2ksq h GLU 171 CO 0.04 1.17 0.09 -1.49 -1.00 0.00 0.00 179.01 177.82 2ksq h TRP 172 N 0.53 0.63 0.01 4.33 -0.00 -1.05 -2.69 115.95 117.72 2ksq h TRP 172 Ca -0.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.89 58.79 2ksq h TRP 172 Cb 1.29 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 30.28 2ksq h TRP 172 CO 0.07 0.63 -0.00 1.25 -0.00 0.00 0.00 178.44 180.38 2ksq h LEU 173 N 0.46 -0.01 -1.85 -4.49 6.46 -1.51 -2.66 115.31 111.71 2ksq h LEU 173 Ca 0.12 -0.12 0.15 0.00 -0.12 0.00 0.00 57.88 57.90 2ksq h LEU 173 Cb 0.31 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 2ksq h LEU 173 CO 0.00 0.12 0.42 0.77 -0.62 0.00 0.00 178.44 179.13 2ksq h SER 174 N -0.13 0.14 0.49 1.25 4.64 -1.42 0.06 113.55 118.58 2ksq h SER 174 Ca -0.00 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2ksq h SER 174 Cb 0.13 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2ksq h SER 174 CO 0.00 0.08 -0.71 -1.13 -0.87 0.00 0.00 176.83 174.19 2ksq h ASN 175 N 0.15 0.22 0.42 4.97 -0.73 -1.15 -2.38 115.58 117.09 2ksq h ASN 175 Ca 0.29 -0.15 -0.08 0.00 1.87 0.00 0.00 56.30 58.23 2ksq h ASN 175 Cb 0.94 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 2ksq h ASN 175 CO -0.04 0.86 -0.39 0.00 -0.37 0.00 0.00 177.43 177.49 2ksq n LEU 177 N -4.01 1.73 -0.33 0.00 4.32 -1.14 -4.51 117.00 113.06 2ksq n LEU 177 Ca -0.02 0.48 -0.03 0.00 -0.02 0.00 0.00 56.01 56.43 2ksq n LEU 177 Cb 0.43 -0.80 0.11 0.00 -1.62 0.00 0.00 43.42 41.54 2ksq n LEU 177 CO 0.39 -0.40 1.19 0.50 -1.22 0.00 0.00 177.39 177.85 2ksq h LYS 178 N -0.93 1.24 -6.98 3.23 3.64 -1.57 -3.47 116.57 111.73 2ksq h LYS 178 Ca 0.00 -0.13 -0.47 0.00 -1.27 0.00 0.00 60.65 58.78 2ksq h LYS 178 Cb 0.66 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2ksq h LYS 178 CO 0.00 0.89 -0.82 -1.71 -2.27 0.00 0.00 179.45 175.54 2ksq n ASN 179 N -4.34 -3.32 -2.39 4.20 4.05 -0.13 -3.87 115.26 109.47 2ksq n ASN 179 Ca 0.10 -1.00 -0.03 0.00 0.45 0.00 0.00 54.58 54.09 2ksq n ASN 179 Cb 0.09 -1.25 -0.02 0.00 1.23 0.00 0.00 39.78 39.82 2ksq n ASN 179 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 2ksq n SER 180 N -1.56 -4.40 0.00 1.20 2.88 -1.26 -5.09 113.62 105.38 2ksq n SER 180 Ca -0.11 1.47 0.11 0.00 -1.33 0.00 0.00 58.87 59.01 2ksq n SER 180 Cb 0.46 -4.93 0.66 0.00 -0.75 0.00 0.00 64.21 59.65 2ksq n SER 180 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88