#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 0.25 -0.14 0.99 8.10 -2.05 -2.57 115.31 119.89 2ksq h LEU 3 Ca 0.00 -0.47 -0.05 0.00 0.11 0.00 0.00 57.88 57.47 2ksq h LEU 3 Cb 0.00 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 40.15 2ksq h LEU 3 CO 0.00 0.67 -0.11 0.15 -4.11 0.00 0.00 178.44 175.04 2ksq h PHE 4 N -0.17 0.38 0.18 0.17 3.57 -2.05 -2.71 116.94 116.31 2ksq h PHE 4 Ca 0.02 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.42 2ksq h PHE 4 Cb 0.60 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2ksq h PHE 4 CO 0.09 0.69 -0.44 0.00 -2.23 0.00 0.00 178.31 176.42 2ksq h ALA 5 N 0.63 -0.82 -0.97 2.41 0.00 -2.00 -0.04 119.26 118.46 2ksq h ALA 5 Ca 0.03 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.96 2ksq h ALA 5 Cb 0.62 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 2ksq h ALA 5 CO 0.03 -1.02 0.60 0.77 0.00 0.00 0.00 179.25 179.62 2ksq h SER 6 N -0.71 0.87 0.10 0.00 0.02 -1.54 -2.09 113.55 110.20 2ksq h SER 6 Ca 0.01 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2ksq h SER 6 Cb 0.71 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2ksq h SER 6 CO -0.21 0.46 -0.05 0.11 -1.14 0.00 0.00 176.83 175.99 2ksq h LYS 7 N 0.94 -0.13 -0.47 3.45 1.57 -1.07 -1.96 116.57 118.89 2ksq h LYS 7 Ca 0.49 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.41 2ksq h LYS 7 Cb 0.50 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2ksq h LYS 7 CO -0.27 0.10 0.36 -0.07 -0.57 0.00 0.00 179.45 179.00 2ksq h LEU 8 N -0.34 0.00 -0.16 2.94 -0.00 -0.49 0.16 115.31 117.42 2ksq h LEU 8 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.65 2ksq h LEU 8 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 2ksq h LEU 8 CO 0.02 0.00 -0.97 0.15 -0.00 0.00 0.00 178.44 177.64 2ksq h PHE 9 N 0.00 0.37 -0.61 1.13 3.04 -1.07 -3.23 116.94 116.57 2ksq h PHE 9 Ca 0.23 -0.22 0.10 0.00 3.98 0.00 0.00 57.97 62.06 2ksq h PHE 9 Cb 0.95 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.39 2ksq h PHE 9 CO 0.00 1.07 0.41 1.03 -2.02 0.00 0.00 178.31 178.80 2ksq h SER 10 N 0.12 0.36 0.07 0.41 0.87 0.10 0.32 113.55 115.80 2ksq h SER 10 Ca -0.07 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2ksq h SER 10 Cb 1.63 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2ksq h SER 10 CO 0.15 0.22 -0.05 0.78 -0.53 0.00 0.00 176.83 177.40 2ksq h ASN 11 N 0.40 0.00 1.21 6.23 2.35 -1.55 0.14 115.58 124.37 2ksq h ASN 11 Ca 0.28 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.90 2ksq h ASN 11 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2ksq h ASN 11 CO -0.08 0.05 -0.82 0.25 -1.65 0.00 0.00 177.43 175.18 2ksq h LEU 12 N 0.00 0.00 -3.34 1.61 5.85 -1.10 -3.30 115.31 115.02 2ksq h LEU 12 Ca -0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2ksq h LEU 12 Cb 0.10 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 2ksq h LEU 12 CO 0.01 0.56 -0.03 0.49 -0.34 0.00 0.00 178.44 179.13 2ksq n PHE 13 N -3.13 1.10 -0.07 1.25 3.01 -0.57 -4.52 117.46 114.54 2ksq n PHE 13 Ca -0.02 -1.39 -0.06 0.00 1.01 0.00 0.00 57.45 56.99 2ksq n PHE 13 Cb 0.78 -0.45 -0.13 0.00 -0.01 0.00 0.00 39.48 39.67 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 -0.96 -0.81 3.55 1.37 0.00 0.40 -4.86 105.19 103.88 2ksq n GLY 14 Ca 0.31 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2ksq n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ksq s ASN 15 N -4.91 6.02 0.08 1.61 3.04 -1.26 -4.95 114.94 114.57 2ksq s ASN 15 Ca -0.08 -0.19 0.04 0.00 0.04 0.00 0.00 52.86 52.67 2ksq s ASN 15 Cb 0.06 -2.55 -0.03 0.00 -1.54 0.00 0.00 41.25 37.18 2ksq s ASN 15 CO 0.68 -1.90 -0.11 -0.54 -3.04 0.00 0.00 177.10 172.20 2ksq s LYS 16 N 5.89 0.80 0.64 0.43 1.02 -1.26 -5.13 119.74 122.14 2ksq s LYS 16 Ca 0.43 -1.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.30 2ksq s LYS 16 Cb -0.09 -0.55 0.03 0.00 -0.52 0.00 0.00 37.83 36.70 2ksq s LYS 16 CO 0.18 0.10 0.96 -1.21 -0.92 0.00 0.00 175.35 174.45 2ksq s GLU 17 N -2.43 2.58 0.01 1.68 2.02 -1.26 -4.67 118.70 116.63 2ksq s GLU 17 Ca 0.02 -0.12 0.06 0.00 0.02 0.00 0.00 54.97 54.95 2ksq s GLU 17 Cb -0.05 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 2ksq s GLU 17 CO 0.00 -0.95 -0.18 -1.64 0.02 0.00 0.00 175.26 172.51 2ksq s MET 18 N -5.11 1.39 -0.19 1.61 -1.94 -1.10 -4.61 119.30 109.35 2ksq s MET 18 Ca 0.57 -0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 53.73 2ksq s MET 18 Cb -0.11 -1.40 -0.04 0.00 2.01 0.00 0.00 34.83 35.30 2ksq s MET 18 CO 0.45 0.37 0.06 1.03 -0.01 0.00 0.00 175.02 176.93 2ksq s ARG 19 N -0.71 3.95 0.01 2.03 1.81 -1.26 -1.04 118.95 123.74 2ksq s ARG 19 Ca 0.07 -0.35 0.04 0.00 -1.72 0.00 0.00 55.73 53.76 2ksq s ARG 19 Cb -0.08 -3.23 -0.01 0.00 -0.45 0.00 0.00 34.95 31.18 2ksq s ARG 19 CO 0.00 0.23 -0.12 0.42 -0.68 0.00 0.00 175.30 175.15 2ksq s ILE 20 N 0.48 0.97 0.01 1.52 1.09 0.33 0.12 121.20 125.72 2ksq s ILE 20 Ca 0.03 -0.70 0.08 0.00 -1.10 0.00 0.00 60.65 58.97 2ksq s ILE 20 Cb -0.13 -0.84 -0.02 0.00 -1.06 0.00 0.00 42.46 40.41 2ksq s ILE 20 CO 0.01 0.14 -0.25 -0.22 -0.10 0.00 0.00 174.94 174.52 2ksq s LEU 21 N -0.64 2.16 -0.15 2.97 2.96 0.25 -2.31 118.68 123.91 2ksq s LEU 21 Ca 0.03 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2ksq s LEU 21 Cb -0.06 -1.34 0.02 0.00 0.50 0.00 0.00 46.19 45.31 2ksq s LEU 21 CO 0.00 0.29 -0.19 -0.32 -1.32 0.00 0.00 176.35 174.82 2ksq s MET 22 N -0.91 2.74 0.05 1.98 -2.45 0.33 0.14 119.30 121.19 2ksq s MET 22 Ca 0.11 -0.74 -0.02 0.00 -1.25 0.00 0.00 55.69 53.79 2ksq s MET 22 Cb -0.10 -2.34 -0.03 0.00 1.25 0.00 0.00 34.83 33.61 2ksq s MET 22 CO 0.01 -0.15 0.01 0.08 1.05 0.00 0.00 175.02 176.01 2ksq s VAL 23 N 1.18 0.19 -0.05 10.11 1.01 -0.86 -2.27 120.40 129.72 2ksq s VAL 23 Ca 0.00 -1.59 -0.18 0.00 0.00 0.00 0.00 61.98 60.22 2ksq s VAL 23 Cb -0.14 -1.32 0.06 0.00 0.00 0.00 0.00 36.38 34.98 2ksq s VAL 23 CO -0.08 -0.88 0.80 0.61 0.00 0.00 0.00 175.10 175.55 2ksq n GLY 24 N 0.29 0.25 0.00 4.51 0.00 -1.26 -2.65 105.19 106.33 2ksq n GLY 24 Ca -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.07 0.99 4.32 -1.26 -4.36 117.00 115.63 2ksq n LEU 25 Ca 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.01 2ksq n LEU 25 Cb 0.34 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.23 2ksq n LEU 25 CO 0.08 -1.07 0.54 -0.67 -1.22 0.00 0.00 177.39 175.05 2ksq n ASP 26 N -1.49 2.67 0.00 -1.43 2.03 -1.26 -4.13 116.55 112.94 2ksq n ASP 26 Ca 0.00 -2.34 0.00 0.00 0.52 0.00 0.00 54.79 52.97 2ksq n ASP 26 Cb 0.00 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ksq n GLY 27 N 0.12 0.00 0.05 0.27 0.00 -1.26 -4.95 105.19 99.42 2ksq n GLY 27 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 0.02 0.00 4.61 0.00 -1.85 -3.48 119.26 118.56 2ksq h ALA 28 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ksq h ALA 28 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 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 -0.54 0.67 0.21 0.00 0.00 -1.26 -4.66 105.19 99.61 2ksq n GLY 29 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 2ksq n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ksq h LYS 30 N 0.00 0.70 -0.01 1.61 1.57 -1.92 -2.89 116.57 115.63 2ksq h LYS 30 Ca 0.00 -0.59 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 2ksq h LYS 30 Cb 0.00 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2ksq h LYS 30 CO 0.00 1.20 -0.01 1.15 -0.57 0.00 0.00 179.45 181.22 2ksq h THR 31 N 0.47 1.43 -0.61 -0.16 2.02 -1.87 -2.26 112.91 111.92 2ksq h THR 31 Ca -0.05 -1.29 0.06 0.00 0.77 0.00 0.00 66.41 65.90 2ksq h THR 31 Cb 1.41 2.28 -0.06 0.00 -1.74 0.00 0.00 68.15 70.05 2ksq h THR 31 CO 0.16 0.34 0.31 0.00 0.37 0.00 0.00 175.52 176.69 2ksq h THR 32 N -0.51 0.92 -0.01 3.16 1.03 -1.94 -2.34 112.91 113.22 2ksq h THR 32 Ca 0.00 -0.19 -0.00 0.00 -0.01 0.00 0.00 66.41 66.20 2ksq h THR 32 Cb 0.56 0.30 -0.00 0.00 -1.07 0.00 0.00 68.15 67.94 2ksq h THR 32 CO 0.00 0.10 -0.00 0.58 -0.01 0.00 0.00 175.52 176.19 2ksq h VAL 33 N 0.57 1.31 -0.98 0.00 2.07 -1.58 -2.68 116.25 114.97 2ksq h VAL 33 Ca 0.28 -0.93 0.22 0.00 0.82 0.00 0.00 66.70 67.09 2ksq h VAL 33 Cb 0.22 1.92 -0.09 0.00 -1.52 0.00 0.00 31.29 31.83 2ksq h VAL 33 CO -0.20 0.24 0.62 -0.07 0.02 0.00 0.00 177.57 178.18 2ksq h LEU 34 N -0.37 0.55 -0.23 2.57 -0.00 -1.22 0.54 115.31 117.15 2ksq h LEU 34 Ca 0.00 0.07 -0.20 0.00 -0.00 0.00 0.00 57.88 57.75 2ksq h LEU 34 Cb 0.40 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 2ksq h LEU 34 CO 0.00 0.18 -0.91 1.88 -0.00 0.00 0.00 178.44 179.59 2ksq h TYR 35 N 0.53 0.25 -0.11 1.13 0.05 -1.39 -2.11 116.97 115.32 2ksq h TYR 35 Ca 0.54 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 59.14 2ksq h TYR 35 Cb 1.17 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.88 2ksq h TYR 35 CO -0.00 0.98 -0.09 -0.22 -1.05 0.00 0.00 178.16 177.78 2ksq h LYS 36 N 0.08 0.25 0.00 4.88 3.11 -0.58 0.89 116.57 125.20 2ksq h LYS 36 Ca -0.04 -0.13 -0.10 0.00 -2.81 0.00 0.00 60.65 57.57 2ksq h LYS 36 Cb 1.56 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.78 2ksq h LYS 36 CO 0.14 0.65 -0.47 1.25 -2.81 0.00 0.00 179.45 178.21 2ksq h LEU 37 N -0.15 0.00 0.12 5.20 6.46 -1.38 0.91 115.31 126.47 2ksq h LEU 37 Ca 0.02 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.43 2ksq h LEU 37 Cb 0.60 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 2ksq h LEU 37 CO 0.02 0.47 -1.90 0.50 -0.62 0.00 0.00 178.44 176.91 2ksq h LYS 38 N 0.00 0.26 0.00 1.25 3.11 -1.36 -3.39 116.57 116.44 2ksq h LYS 38 Ca -0.00 -0.45 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 2ksq h LYS 38 Cb 1.12 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 2ksq h LYS 38 CO 0.06 1.15 -1.31 -0.11 -2.81 0.00 0.00 179.45 176.43 2ksq n LEU 39 N -3.45 0.36 0.00 5.20 0.00 0.31 -4.99 117.00 114.41 2ksq n LEU 39 Ca -0.28 -0.23 0.00 0.00 0.00 0.00 0.00 56.01 55.50 2ksq n LEU 39 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.47 2ksq n LEU 39 CO 0.45 0.09 0.00 0.61 0.00 0.00 0.00 177.39 178.54 2ksq n GLY 40 N 1.47 1.05 2.98 -3.96 0.00 0.31 -4.98 105.19 102.06 2ksq n GLY 40 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2ksq n GLY 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ksq s GLU 41 N -0.12 0.46 -0.05 1.61 -1.05 -1.24 -4.97 118.70 113.33 2ksq s GLU 41 Ca 0.00 -0.32 -0.30 0.00 -0.15 0.00 0.00 54.97 54.21 2ksq s GLU 41 Cb 0.00 -0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 33.27 2ksq s GLU 41 CO 0.00 0.10 1.03 0.08 0.95 0.00 0.00 175.26 177.42 2ksq s VAL 42 N -0.40 4.72 0.43 1.83 1.01 -1.26 -4.15 120.40 122.58 2ksq s VAL 42 Ca -0.00 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.00 2ksq s VAL 42 Cb -0.04 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 2ksq s VAL 42 CO -0.00 0.07 0.03 0.27 0.00 0.00 0.00 175.10 175.47 2ksq s ILE 43 N 1.59 1.83 -0.14 2.22 -5.25 -1.26 -5.09 121.20 115.10 2ksq s ILE 43 Ca 0.51 -1.97 -0.29 0.00 -0.99 0.00 0.00 60.65 57.91 2ksq s ILE 43 Cb -0.21 -2.80 -0.03 0.00 2.95 0.00 0.00 42.46 42.37 2ksq s ILE 43 CO 0.23 0.00 1.41 0.42 -1.79 0.00 0.00 174.94 175.21 2ksq s THR 44 N -2.74 4.02 0.19 8.37 -4.23 -1.26 -4.98 115.64 115.01 2ksq s THR 44 Ca 0.29 1.22 0.02 0.00 -1.18 0.00 0.00 61.69 62.04 2ksq s THR 44 Cb 0.08 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 2ksq s THR 44 CO 0.15 -0.14 0.34 0.42 -0.54 0.00 0.00 174.62 174.85 2ksq s THR 45 N 3.82 5.27 0.21 3.99 -4.23 -1.26 -5.09 115.64 118.34 2ksq s THR 45 Ca 0.62 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 60.39 2ksq s THR 45 Cb -0.25 -3.76 -0.00 0.00 1.34 0.00 0.00 72.50 69.82 2ksq s THR 45 CO 0.21 -0.18 0.40 0.27 -0.54 0.00 0.00 174.62 174.78 2ksq s ILE 46 N -1.85 0.02 -0.28 2.99 -0.00 -1.26 -5.10 121.20 115.72 2ksq s ILE 46 Ca 0.36 -1.36 -0.30 0.00 -0.00 0.00 0.00 60.65 59.35 2ksq s ILE 46 Cb -0.11 -2.03 -0.07 0.00 -0.00 0.00 0.00 42.46 40.26 2ksq s ILE 46 CO 0.29 -0.11 2.24 -2.65 -0.00 0.00 0.00 174.94 174.71 2ksq n PRO 47 N -0.32 1.63 -3.87 0.37 -0.02 -1.26 -4.92 135.00 126.61 2ksq n PRO 47 Ca -0.04 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 2ksq n PRO 47 Cb 0.63 -3.04 -0.13 0.00 -0.02 0.00 0.00 33.50 30.94 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 8.42 2.94 0.81 3.45 -4.23 -1.26 -5.10 115.64 120.67 2ksq s THR 48 Ca 1.03 -2.60 -0.10 0.00 -1.18 0.00 0.00 61.69 58.84 2ksq s THR 48 Cb -0.47 -3.03 0.08 0.00 1.34 0.00 0.00 72.50 70.42 2ksq s THR 48 CO 0.38 -0.73 1.10 -0.63 -0.54 0.00 0.00 174.62 174.21 2ksq s ILE 49 N 0.51 3.03 0.00 2.99 -1.09 -1.26 -3.15 121.20 122.24 2ksq s ILE 49 Ca 0.13 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 2ksq s ILE 49 Cb -0.22 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 2ksq s ILE 49 CO -0.04 -0.44 0.00 0.61 -1.23 0.00 0.00 174.94 173.84 2ksq n GLY 50 N -0.88 0.44 3.17 6.18 0.00 -1.26 -4.79 105.19 108.05 2ksq n GLY 50 Ca 0.10 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 0.90 -0.13 1.61 -0.71 -1.26 -2.75 117.98 115.64 2ksq s PHE 51 Ca 0.00 -0.99 -0.04 0.00 -1.04 0.00 0.00 56.93 54.86 2ksq s PHE 51 Cb 0.00 -0.53 0.05 0.00 -1.21 0.00 0.00 43.02 41.33 2ksq s PHE 51 CO 0.00 -0.23 0.07 1.21 -1.34 0.00 0.00 175.22 174.93 2ksq s ASN 52 N -3.05 2.02 0.37 1.98 2.47 -0.84 -4.95 114.94 112.94 2ksq s ASN 52 Ca 0.15 -0.41 -0.15 0.00 0.42 0.00 0.00 52.86 52.86 2ksq s ASN 52 Cb 0.06 -0.25 -0.09 0.00 -1.45 0.00 0.00 41.25 39.52 2ksq s ASN 52 CO -0.03 -0.31 0.80 -0.69 -3.72 0.00 0.00 177.10 173.15 2ksq s VAL 53 N 2.12 4.64 -0.08 -5.21 1.01 -1.26 0.06 120.40 121.67 2ksq s VAL 53 Ca 0.03 0.99 -0.03 0.00 0.00 0.00 0.00 61.98 62.97 2ksq s VAL 53 Cb -0.15 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.64 2ksq s VAL 53 CO -0.07 -0.32 0.12 -1.61 0.00 0.00 0.00 175.10 173.22 2ksq s GLU 54 N -3.28 0.00 -0.44 2.72 0.41 -0.49 -4.94 118.70 112.68 2ksq s GLU 54 Ca 0.55 0.39 -0.23 0.00 -0.41 0.00 0.00 54.97 55.28 2ksq s GLU 54 Cb -0.10 -0.61 0.02 0.00 -1.78 0.00 0.00 34.13 31.66 2ksq s GLU 54 CO 0.21 -0.38 0.75 0.00 -0.49 0.00 0.00 175.26 175.35 2ksq s VAL 56 N 3.18 1.81 -0.11 0.00 1.01 -0.85 -5.03 120.40 120.41 2ksq s VAL 56 Ca 0.28 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2ksq s VAL 56 Cb -0.13 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2ksq s VAL 56 CO 0.21 0.51 -0.10 0.00 0.00 0.00 0.00 175.10 175.73 2ksq s GLN 57 N -0.15 3.13 -0.26 2.72 1.03 -1.26 0.11 119.66 124.97 2ksq s GLN 57 Ca -0.02 -0.62 -0.24 0.00 0.04 0.00 0.00 55.36 54.53 2ksq s GLN 57 Cb -0.12 -2.64 0.07 0.00 0.03 0.00 0.00 33.01 30.35 2ksq s GLN 57 CO 0.03 0.41 0.69 -0.47 -2.54 0.00 0.00 175.29 173.40 2ksq s TYR 58 N -0.13 -0.77 -1.45 9.60 5.04 0.14 -4.94 117.35 124.85 2ksq s TYR 58 Ca 0.00 1.86 -0.08 0.00 -2.44 0.00 0.00 57.07 56.41 2ksq s TYR 58 Cb -0.13 0.27 0.02 0.00 0.35 0.00 0.00 41.96 42.47 2ksq s TYR 58 CO 0.03 -0.37 0.94 0.00 -1.34 0.00 0.00 175.55 174.82 2ksq n ASN 60 N -2.80 -0.32 -4.70 0.00 5.15 -1.26 -4.99 115.26 106.34 2ksq n ASN 60 Ca -0.03 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.67 2ksq n ASN 60 Cb 0.58 -0.67 -0.09 0.00 -0.53 0.00 0.00 39.78 39.07 2ksq n ASN 60 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2ksq s ILE 61 N -3.13 1.89 -0.34 -1.44 -4.36 -0.42 -4.94 121.20 108.45 2ksq s ILE 61 Ca 0.00 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 58.53 2ksq s ILE 61 Cb 0.00 -2.78 0.10 0.00 1.25 0.00 0.00 42.46 41.03 2ksq s ILE 61 CO 0.00 0.00 0.06 -0.44 0.24 0.00 0.00 174.94 174.80 2ksq s SER 62 N -3.83 4.82 -0.16 4.36 0.01 -1.26 0.27 113.70 117.91 2ksq s SER 62 Ca 0.31 -2.04 -0.25 0.00 1.31 0.00 0.00 55.95 55.28 2ksq s SER 62 Cb 0.06 -1.66 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 2ksq s SER 62 CO 0.16 -0.38 0.81 -0.36 0.41 0.00 0.00 173.24 173.88 2ksq s PHE 63 N 0.97 3.43 -0.19 2.43 0.08 0.29 -2.70 117.98 122.29 2ksq s PHE 63 Ca 0.08 1.23 -0.14 0.00 0.12 0.00 0.00 56.93 58.22 2ksq s PHE 63 Cb -0.20 -2.98 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 2ksq s PHE 63 CO -0.07 -0.21 0.30 0.99 -0.10 0.00 0.00 175.22 176.13 2ksq s THR 64 N 2.04 5.28 -0.24 0.64 2.01 -0.21 -2.01 115.64 123.16 2ksq s THR 64 Ca 0.37 0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.89 2ksq s THR 64 Cb -0.17 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 68.78 2ksq s THR 64 CO 0.13 0.34 0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 2ksq s VAL 65 N 0.85 0.87 -0.16 3.82 1.01 -0.83 0.12 120.40 126.09 2ksq s VAL 65 Ca 0.16 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 2ksq s VAL 65 Cb -0.14 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2ksq s VAL 65 CO 0.05 -0.34 0.32 0.26 0.00 0.00 0.00 175.10 175.39 2ksq s TRP 66 N 1.67 3.46 -0.26 5.22 0.52 -0.98 -1.39 118.94 127.19 2ksq s TRP 66 Ca 0.02 0.63 0.03 0.00 0.02 0.00 0.00 56.10 56.79 2ksq s TRP 66 Cb -0.18 -2.37 0.06 0.00 -1.15 0.00 0.00 33.47 29.84 2ksq s TRP 66 CO -0.13 0.22 -0.08 0.16 0.02 0.00 0.00 176.95 177.14 2ksq s ASP 67 N 0.50 4.37 0.21 2.95 -4.77 0.11 0.12 116.67 120.16 2ksq s ASP 67 Ca 0.18 -1.45 -0.27 0.00 -3.30 0.00 0.00 52.55 47.71 2ksq s ASP 67 Cb -0.13 -1.48 -0.08 0.00 -1.09 0.00 0.00 42.92 40.13 2ksq s ASP 67 CO 0.05 -0.22 0.85 0.68 0.70 0.00 0.00 175.17 177.22 2ksq s VAL 68 N 1.14 4.25 0.00 2.11 -7.23 -0.96 -1.98 120.40 117.74 2ksq s VAL 68 Ca -0.06 1.84 0.00 0.00 -1.81 0.00 0.00 61.98 61.95 2ksq s VAL 68 Cb -0.20 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.55 2ksq s VAL 68 CO -0.06 0.48 0.05 0.61 -0.31 0.00 0.00 175.10 175.87 2ksq n GLY 69 N 1.46 1.05 0.29 2.32 0.00 -1.11 -4.62 105.19 104.58 2ksq n GLY 69 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 2.17 -2.54 0.00 -0.02 0.00 -1.26 -4.63 105.19 98.91 2ksq n GLY 70 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2ksq n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksq n GLN 71 N -1.51 0.00 0.33 1.61 7.27 -1.26 -4.70 117.38 119.13 2ksq n GLN 71 Ca 0.01 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.91 2ksq n GLN 71 Cb 0.04 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.60 2ksq n GLN 71 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2ksq h ASP 72 N 0.00 -0.69 -0.11 1.69 3.58 -1.94 0.97 116.42 119.92 2ksq h ASP 72 Ca 0.00 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.49 2ksq h ASP 72 Cb 0.00 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 2ksq h ASP 72 CO 0.00 -0.46 0.29 0.03 -2.88 0.00 0.00 179.24 176.22 2ksq h ARG 73 N -0.85 0.00 -0.01 0.28 3.08 -2.02 -0.53 114.38 114.34 2ksq h ARG 73 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2ksq h ARG 73 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2ksq h ARG 73 CO 0.14 0.00 -0.00 -0.89 -1.07 0.00 0.00 179.97 178.15 2ksq n ILE 74 N -3.23 0.00 -0.34 2.04 5.41 -1.01 -4.67 119.36 117.55 2ksq n ILE 74 Ca 0.00 -0.50 0.02 0.00 1.00 0.00 0.00 62.75 63.27 2ksq n ILE 74 Cb 0.38 1.10 0.16 0.00 -0.71 0.00 0.00 39.64 40.57 2ksq n ILE 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2ksq h ARG 75 N 0.95 1.03 0.00 0.38 2.43 0.27 -0.93 114.38 118.51 2ksq h ARG 75 Ca 0.00 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2ksq h ARG 75 Cb 0.20 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2ksq h ARG 75 CO 0.00 0.68 -0.41 0.66 -1.51 0.00 0.00 179.97 179.39 2ksq h SER 76 N 1.06 0.00 1.78 -3.80 4.64 -1.83 -2.81 113.55 112.58 2ksq h SER 76 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2ksq h SER 76 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2ksq h SER 76 CO -0.18 0.41 0.00 -0.07 -0.87 0.00 0.00 176.83 176.12 2ksq h LEU 77 N 0.00 0.00 -1.97 5.97 3.38 -1.50 -3.23 115.31 117.96 2ksq h LEU 77 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2ksq h LEU 77 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2ksq h LEU 77 CO 0.05 0.00 -0.10 -0.50 0.09 0.00 0.00 178.44 177.98 2ksq h TRP 78 N 0.00 0.00 -0.53 1.13 6.55 -1.07 -2.18 115.95 119.86 2ksq h TRP 78 Ca 0.00 0.00 -0.28 0.00 0.95 0.00 0.00 58.89 59.56 2ksq h TRP 78 Cb 0.89 0.00 -0.17 0.00 -0.86 0.00 0.00 29.16 29.02 2ksq h TRP 78 CO 0.00 0.10 0.09 2.89 -1.05 0.00 0.00 178.44 180.48 2ksq n ARG 79 N -3.65 1.99 -0.01 0.49 1.85 -1.22 -3.89 116.66 112.22 2ksq n ARG 79 Ca -0.02 -3.18 0.02 0.00 -1.00 0.00 0.00 57.85 53.67 2ksq n ARG 79 Cb 0.22 -1.92 -0.06 0.00 -1.05 0.00 0.00 32.46 29.64 2ksq n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2ksq n HIS 80 N -1.12 0.00 -1.96 2.89 8.25 -0.82 -4.79 115.22 117.67 2ksq n HIS 80 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 2ksq n HIS 80 Cb 1.18 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 32.06 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 -1.89 0.00 -2.02 4.41 4.11 -1.25 -4.92 117.16 115.59 2ksq n TYR 81 Ca -0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.59 2ksq n TYR 81 Cb 0.33 0.11 0.02 0.00 -0.00 0.00 0.00 39.34 39.80 2ksq n TYR 81 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2ksq n TYR 82 N 0.00 2.98 -0.71 -3.48 4.01 -1.25 -4.75 117.16 113.96 2ksq n TYR 82 Ca 0.00 -2.55 -0.17 0.00 -0.16 0.00 0.00 57.90 55.03 2ksq n TYR 82 Cb 0.58 -0.48 0.15 0.00 -0.31 0.00 0.00 39.34 39.28 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ksq n ASN 84 N -0.69 0.00 -4.72 0.00 5.15 -1.26 -5.09 115.26 108.65 2ksq n ASN 84 Ca 0.45 -1.54 -0.40 0.00 -0.60 0.00 0.00 54.58 52.49 2ksq n ASN 84 Cb 1.38 -0.11 -0.05 0.00 -0.53 0.00 0.00 39.78 40.48 2ksq n ASN 84 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ksq s THR 85 N 0.00 5.02 0.05 -0.44 -4.23 -1.26 -4.65 115.64 110.12 2ksq s THR 85 Ca 0.00 1.47 0.06 0.00 -1.18 0.00 0.00 61.69 62.05 2ksq s THR 85 Cb 0.00 -4.05 -0.23 0.00 1.34 0.00 0.00 72.50 69.56 2ksq s THR 85 CO 0.00 0.26 1.01 -0.33 -0.54 0.00 0.00 174.62 175.02 2ksq h GLU 86 N 6.65 0.06 -4.07 3.99 3.07 0.62 -3.42 114.58 121.47 2ksq h GLU 86 Ca -0.41 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 58.22 2ksq h GLU 86 Cb 1.20 0.04 -0.14 0.00 -0.84 0.00 0.00 28.75 29.01 2ksq h GLU 86 CO 0.75 0.88 -0.46 0.20 -1.40 0.00 0.00 179.01 178.98 2ksq s GLY 87 N -4.88 0.59 0.13 -3.84 0.00 -0.16 -2.80 107.32 96.37 2ksq s GLY 87 Ca -0.03 -1.06 0.07 0.00 0.00 0.00 0.00 44.72 43.70 2ksq s GLY 87 CO 0.83 -1.04 -0.17 0.14 0.00 0.00 0.00 173.10 172.86 2ksq s VAL 88 N -3.98 1.60 -0.31 1.40 1.01 -0.26 -0.59 120.40 119.28 2ksq s VAL 88 Ca 0.17 -1.74 0.02 0.00 0.00 0.00 0.00 61.98 60.42 2ksq s VAL 88 Cb 0.05 -1.64 0.09 0.00 0.00 0.00 0.00 36.38 34.88 2ksq s VAL 88 CO -0.02 -0.29 0.04 -0.63 0.00 0.00 0.00 175.10 174.20 2ksq s ILE 89 N -1.86 1.65 -0.22 2.22 1.01 0.37 0.13 121.20 124.49 2ksq s ILE 89 Ca 0.11 -1.78 -0.18 0.00 0.00 0.00 0.00 60.65 58.80 2ksq s ILE 89 Cb -0.07 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2ksq s ILE 89 CO 0.05 -0.51 0.50 0.12 0.00 0.00 0.00 174.94 175.09 2ksq s PHE 90 N 1.25 3.33 -0.22 3.97 5.36 0.34 -2.02 117.98 129.99 2ksq s PHE 90 Ca 0.07 0.70 -0.16 0.00 -0.96 0.00 0.00 56.93 56.57 2ksq s PHE 90 Cb -0.18 -2.67 -0.04 0.00 -0.34 0.00 0.00 43.02 39.79 2ksq s PHE 90 CO -0.13 -0.16 0.41 0.08 -1.46 0.00 0.00 175.22 173.96 2ksq s VAL 91 N 1.84 5.18 -0.15 3.12 1.01 -1.08 -1.83 120.40 128.48 2ksq s VAL 91 Ca 0.22 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.91 2ksq s VAL 91 Cb -0.15 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.52 2ksq s VAL 91 CO 0.09 0.22 -0.06 0.54 0.00 0.00 0.00 175.10 175.89 2ksq s VAL 92 N 1.55 1.09 0.10 2.92 0.11 -1.16 -4.42 120.40 120.59 2ksq s VAL 92 Ca 0.19 -0.54 -0.31 0.00 -2.93 0.00 0.00 61.98 58.39 2ksq s VAL 92 Cb -0.15 -1.22 -0.10 0.00 -1.53 0.00 0.00 36.38 33.38 2ksq s VAL 92 CO 0.08 0.19 1.78 -1.81 -3.33 0.00 0.00 175.10 172.02 2ksq s ASP 93 N 1.65 6.48 0.00 3.54 1.11 -1.26 -0.59 116.67 127.60 2ksq s ASP 93 Ca 0.02 2.67 -0.12 0.00 0.18 0.00 0.00 52.55 55.31 2ksq s ASP 93 Cb -0.15 -2.56 -0.33 0.00 1.07 0.00 0.00 42.92 40.96 2ksq s ASP 93 CO -0.08 -0.97 0.87 -1.28 1.18 0.00 0.00 175.17 174.89 2ksq h SER 94 N 8.57 0.69 0.00 0.27 0.87 -1.47 -3.30 113.55 119.18 2ksq h SER 94 Ca -0.45 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.26 2ksq h SER 94 Cb 1.21 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2ksq h SER 94 CO 0.94 1.69 0.00 -3.20 -0.53 0.00 0.00 176.83 175.73 2ksq n ASN 95 N -3.63 0.00 -3.99 6.23 4.05 -1.26 -3.74 115.26 112.92 2ksq n ASN 95 Ca -0.19 -0.93 -0.34 0.00 0.45 0.00 0.00 54.58 53.56 2ksq n ASN 95 Cb 1.08 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 42.03 2ksq n ASN 95 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ksq n ASP 96 N -0.99 4.18 0.21 1.20 2.03 -1.24 -4.87 116.55 117.07 2ksq n ASP 96 Ca 0.22 -3.20 0.07 0.00 0.52 0.00 0.00 54.79 52.39 2ksq n ASP 96 Cb 0.10 -0.99 0.48 0.00 -0.72 0.00 0.00 41.12 40.00 2ksq n ASP 96 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2ksq h ARG 97 N 5.64 0.00 -0.55 -0.67 2.43 -1.84 -2.83 114.38 116.56 2ksq h ARG 97 Ca 0.17 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2ksq h ARG 97 Cb 0.77 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.26 2ksq h ARG 97 CO 0.88 0.28 0.22 0.66 -1.51 0.00 0.00 179.97 180.49 2ksq h SER 98 N 0.00 0.24 0.02 -3.80 4.64 -1.97 -2.31 113.55 110.38 2ksq h SER 98 Ca -0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2ksq h SER 98 Cb 0.59 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2ksq h SER 98 CO 0.04 0.16 -0.11 0.54 -0.87 0.00 0.00 176.83 176.59 2ksq n ARG 99 N -4.97 1.71 -0.13 4.77 5.12 -1.18 -4.50 116.66 117.48 2ksq n ARG 99 Ca 0.06 -1.24 0.26 0.00 -1.93 0.00 0.00 57.85 55.01 2ksq n ARG 99 Cb 0.22 -1.47 0.54 0.00 -1.16 0.00 0.00 32.46 30.58 2ksq n ARG 99 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 2ksq h ILE 100 N 3.02 0.10 0.05 0.55 6.09 -1.16 0.81 117.51 126.97 2ksq h ILE 100 Ca 0.00 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 63.22 2ksq h ILE 100 Cb 0.71 0.19 -0.03 0.00 0.47 0.00 0.00 36.82 38.17 2ksq h ILE 100 CO 0.00 0.00 -1.38 1.23 -3.07 0.00 0.00 178.15 174.93 2ksq h GLY 101 N 0.00 0.11 0.91 8.18 0.00 -1.79 -3.09 103.07 107.39 2ksq h GLY 101 Ca 0.41 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2ksq h GLY 101 CO -0.00 0.25 -0.02 0.83 0.00 0.00 0.00 176.54 177.60 2ksq h GLU 102 N 0.03 -0.06 -0.33 4.80 4.39 0.33 0.25 114.58 124.00 2ksq h GLU 102 Ca -0.17 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.57 2ksq h GLU 102 Cb 1.93 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.55 2ksq h GLU 102 CO 0.13 0.05 0.11 0.00 -1.16 0.00 0.00 179.01 178.14 2ksq h ALA 103 N 0.80 0.37 -0.28 3.43 0.00 -1.60 0.34 119.26 122.33 2ksq h ALA 103 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2ksq h ALA 103 Cb 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ksq h ALA 103 CO 0.01 -0.29 0.15 -0.09 0.00 0.00 0.00 179.25 179.03 2ksq h ARG 104 N 0.24 0.39 -0.41 0.00 2.43 -1.43 -1.98 114.38 113.62 2ksq h ARG 104 Ca 0.15 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 2ksq h ARG 104 Cb 0.13 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2ksq h ARG 104 CO -0.16 0.33 -0.15 1.49 -1.51 0.00 0.00 179.97 179.97 2ksq h GLU 105 N 0.34 0.77 -0.37 0.20 4.22 -0.10 -2.74 114.58 116.89 2ksq h GLU 105 Ca 0.10 -0.27 -0.07 0.00 0.08 0.00 0.00 59.36 59.20 2ksq h GLU 105 Cb 0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2ksq h GLU 105 CO -0.02 0.88 -0.04 0.28 -2.18 0.00 0.00 179.01 177.93 2ksq h VAL 106 N 0.69 1.23 -0.43 0.32 2.07 -0.16 -2.66 116.25 117.31 2ksq h VAL 106 Ca 0.11 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2ksq h VAL 106 Cb 0.64 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2ksq h VAL 106 CO 0.04 0.32 0.16 -0.03 0.02 0.00 0.00 177.57 178.08 2ksq h MET 107 N 0.57 0.64 -0.92 1.57 4.05 -1.12 -2.79 114.93 116.94 2ksq h MET 107 Ca 0.11 -0.12 0.12 0.00 -0.28 0.00 0.00 59.70 59.53 2ksq h MET 107 Cb 0.43 -0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 31.05 2ksq h MET 107 CO 0.02 0.61 0.55 0.37 0.23 0.00 0.00 176.91 178.68 2ksq h GLN 108 N 0.54 0.83 -0.78 0.39 4.15 -1.19 0.40 115.11 119.46 2ksq h GLN 108 Ca 0.14 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2ksq h GLN 108 Cb 0.21 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 2ksq h GLN 108 CO -0.01 0.55 0.35 0.00 -1.93 0.00 0.00 178.83 177.79 2ksq h ARG 109 N 0.86 1.14 -0.25 1.69 2.47 -1.32 0.65 114.38 119.61 2ksq h ARG 109 Ca 0.46 -0.18 -0.09 0.00 -1.26 0.00 0.00 59.98 58.91 2ksq h ARG 109 Cb 0.49 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2ksq h ARG 109 CO -0.28 0.90 -0.18 1.98 0.56 0.00 0.00 179.97 182.95 2ksq h MET 110 N 1.11 0.58 0.00 0.04 4.05 -0.87 -2.73 114.93 117.11 2ksq h MET 110 Ca 0.26 -0.28 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2ksq h MET 110 Cb 0.16 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2ksq h MET 110 CO -0.03 0.86 -0.02 1.25 0.23 0.00 0.00 176.91 179.20 2ksq h LEU 111 N 0.29 0.00 -0.59 3.39 6.46 0.04 -2.93 115.31 121.98 2ksq h LEU 111 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2ksq h LEU 111 Cb 0.72 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2ksq h LEU 111 CO 0.05 0.02 -0.25 0.59 -0.62 0.00 0.00 178.44 178.23 2ksq n ASN 112 N -3.11 1.16 -4.74 1.25 3.02 0.22 -4.79 115.26 108.27 2ksq n ASN 112 Ca 0.02 -1.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.17 2ksq n ASN 112 Cb 0.38 0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.65 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2ksq s GLU 113 N -2.45 4.47 0.35 3.52 0.41 -1.04 -4.95 118.70 119.02 2ksq s GLU 113 Ca 0.25 1.02 0.08 0.00 -0.41 0.00 0.00 54.97 55.91 2ksq s GLU 113 Cb 0.19 -3.38 0.67 0.00 -1.78 0.00 0.00 34.13 29.83 2ksq s GLU 113 CO 0.51 0.24 1.85 0.38 -0.49 0.00 0.00 175.26 177.74 2ksq h ASP 114 N 5.91 0.26 0.74 -0.19 2.03 -1.90 -0.97 116.42 122.31 2ksq h ASP 114 Ca -0.43 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2ksq h ASP 114 Cb 1.20 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2ksq h ASP 114 CO 0.72 0.48 0.00 -0.08 -1.03 0.00 0.00 179.24 179.32 2ksq h GLU 115 N 0.25 0.00 0.00 4.15 4.81 -1.94 -2.98 114.58 118.87 2ksq h GLU 115 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2ksq h GLU 115 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2ksq h GLU 115 CO 0.03 0.00 -0.13 1.28 -0.73 0.00 0.00 179.01 179.46 2ksq n LEU 116 N -2.40 1.57 0.00 1.64 4.77 -0.71 -4.72 117.00 117.16 2ksq n LEU 116 Ca 0.02 -2.24 0.13 0.00 -0.03 0.00 0.00 56.01 53.88 2ksq n LEU 116 Cb 0.23 -0.24 0.71 0.00 -2.33 0.00 0.00 43.42 41.79 2ksq n LEU 116 CO 0.21 0.53 0.94 0.00 -1.33 0.00 0.00 177.39 177.73 2ksq n ASN 118 N -1.13 0.95 -4.86 0.00 6.94 -1.26 -5.00 115.26 110.89 2ksq n ASN 118 Ca 0.16 -0.97 -0.34 0.00 -0.02 0.00 0.00 54.58 53.41 2ksq n ASN 118 Cb 0.14 0.67 -0.06 0.00 -2.36 0.00 0.00 39.78 38.17 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ksq s ALA 119 N -1.59 3.58 0.89 -2.53 0.00 -1.12 -4.93 121.76 116.07 2ksq s ALA 119 Ca 0.07 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 2ksq s ALA 119 Cb 0.08 -2.47 0.15 0.00 0.00 0.00 0.00 23.12 20.87 2ksq s ALA 119 CO 0.31 0.48 1.26 0.00 0.00 0.00 0.00 175.76 177.81 2ksq s ALA 120 N -1.62 2.43 -0.06 0.00 0.00 -1.12 -4.84 121.76 116.54 2ksq s ALA 120 Ca 0.42 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2ksq s ALA 120 Cb -0.13 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.16 2ksq s ALA 120 CO 0.20 -2.09 0.00 -1.58 0.00 0.00 0.00 175.76 172.29 2ksq s TRP 121 N -3.75 0.57 -0.21 0.00 0.51 -0.94 -1.10 118.94 114.02 2ksq s TRP 121 Ca 0.69 -0.11 0.00 0.00 -2.12 0.00 0.00 56.10 54.56 2ksq s TRP 121 Cb -0.07 -0.72 0.05 0.00 -0.81 0.00 0.00 33.47 31.92 2ksq s TRP 121 CO 0.51 -0.28 -0.06 -1.17 -0.51 0.00 0.00 176.95 175.43 2ksq s LEU 122 N 1.82 2.21 -0.12 2.99 0.20 0.34 -2.96 118.68 123.16 2ksq s LEU 122 Ca 0.02 -0.96 -0.08 0.00 0.69 0.00 0.00 54.13 53.80 2ksq s LEU 122 Cb -0.12 -1.11 -0.04 0.00 -0.43 0.00 0.00 46.19 44.48 2ksq s LEU 122 CO -0.04 -0.20 0.16 -0.69 -0.29 0.00 0.00 176.35 175.29 2ksq s VAL 123 N 1.47 5.46 -0.21 1.68 1.01 0.33 0.13 120.40 130.27 2ksq s VAL 123 Ca -0.03 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 2ksq s VAL 123 Cb -0.17 -3.44 0.07 0.00 0.00 0.00 0.00 36.38 32.84 2ksq s VAL 123 CO -0.07 0.59 0.05 -0.36 0.00 0.00 0.00 175.10 175.31 2ksq s PHE 124 N -0.80 0.92 -0.36 5.22 0.08 -0.76 -0.36 117.98 121.93 2ksq s PHE 124 Ca 0.15 -0.86 -0.27 0.00 0.12 0.00 0.00 56.93 56.07 2ksq s PHE 124 Cb -0.12 -1.03 -0.06 0.00 -0.57 0.00 0.00 43.02 41.24 2ksq s PHE 124 CO 0.04 -0.63 2.31 0.00 -0.10 0.00 0.00 175.22 176.84 2ksq s ALA 125 N 1.89 2.15 0.78 5.36 0.00 0.28 -2.99 121.76 129.23 2ksq s ALA 125 Ca 0.01 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 2ksq s ALA 125 Cb -0.17 -4.22 0.06 0.00 0.00 0.00 0.00 23.12 18.79 2ksq s ALA 125 CO -0.11 -3.67 1.11 -0.80 0.00 0.00 0.00 175.76 172.29 2ksq s ASN 126 N 10.32 4.76 -1.85 0.00 -0.87 0.24 -2.57 114.94 124.98 2ksq s ASN 126 Ca 0.99 1.12 0.00 0.00 -1.57 0.00 0.00 52.86 53.40 2ksq s ASN 126 Cb -0.25 -1.83 0.00 0.00 -0.02 0.00 0.00 41.25 39.16 2ksq s ASN 126 CO 0.30 -1.78 0.00 0.29 -2.57 0.00 0.00 177.10 173.35 2ksq n LYS 127 N -3.28 -1.28 0.27 -0.60 5.02 -1.26 -1.25 118.16 115.77 2ksq n LYS 127 Ca 0.07 1.09 0.12 0.00 -2.02 0.00 0.00 58.31 57.57 2ksq n LYS 127 Cb 0.58 -5.39 0.78 0.00 -0.02 0.00 0.00 35.03 30.97 2ksq n LYS 127 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2ksq h GLN 128 N 0.00 0.00 0.00 1.97 5.75 -1.62 -1.24 115.11 119.97 2ksq h GLN 128 Ca -0.38 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 2ksq h GLN 128 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 2ksq h GLN 128 CO 0.53 0.05 0.00 0.38 -2.65 0.00 0.00 178.83 177.14 2ksq h ASP 129 N 0.00 0.00 -3.31 -0.69 2.03 -1.89 -3.41 116.42 109.15 2ksq h ASP 129 Ca -0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 2ksq h ASP 129 Cb 0.12 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.67 2ksq h ASP 129 CO 0.01 0.00 0.77 -0.76 -1.03 0.00 0.00 179.24 178.22 2ksq s LEU 130 N -6.14 4.38 0.57 0.15 2.01 -0.47 -4.87 118.68 114.32 2ksq s LEU 130 Ca -0.02 2.64 0.31 0.00 0.01 0.00 0.00 54.13 57.08 2ksq s LEU 130 Cb 0.11 -3.62 1.44 0.00 0.01 0.00 0.00 46.19 44.12 2ksq s LEU 130 CO 0.48 -0.71 1.80 -0.65 1.01 0.00 0.00 176.35 178.28 2ksq h PRO 131 N 5.30 0.00 -0.80 1.29 0.11 -1.89 0.52 132.00 136.53 2ksq h PRO 131 Ca -0.45 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.31 2ksq h PRO 131 Cb 1.22 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.12 2ksq h PRO 131 CO 0.79 0.00 0.40 -1.91 -0.21 0.00 0.00 178.00 177.08 2ksq n GLU 132 N -3.87 2.77 -2.11 1.05 4.07 -1.26 -4.99 120.64 116.30 2ksq n GLU 132 Ca 0.16 -3.06 -0.42 0.00 -0.06 0.00 0.00 57.16 53.79 2ksq n GLU 132 Cb 0.98 -2.14 -0.03 0.00 -0.06 0.00 0.00 31.44 30.19 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ksq s ALA 133 N -3.17 3.61 0.41 4.31 0.00 0.18 -4.50 121.76 122.61 2ksq s ALA 133 Ca 0.54 1.20 -0.26 0.00 0.00 0.00 0.00 51.96 53.45 2ksq s ALA 133 Cb 0.45 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 2ksq s ALA 133 CO 0.10 -0.65 1.28 -1.64 0.00 0.00 0.00 175.76 174.86 2ksq s MET 134 N 0.44 3.93 0.73 0.00 -1.94 -1.24 -4.94 119.30 116.27 2ksq s MET 134 Ca 0.62 2.10 -0.11 0.00 -1.71 0.00 0.00 55.69 56.59 2ksq s MET 134 Cb -0.39 -2.70 0.03 0.00 2.01 0.00 0.00 34.83 33.77 2ksq s MET 134 CO 0.35 -0.51 1.07 -1.54 -0.01 0.00 0.00 175.02 174.39 2ksq s SER 135 N -0.83 5.09 0.37 3.03 1.04 -1.26 -4.90 113.70 116.23 2ksq s SER 135 Ca 0.58 1.54 0.11 0.00 0.48 0.00 0.00 55.95 58.66 2ksq s SER 135 Cb -0.37 -2.37 0.71 0.00 0.10 0.00 0.00 66.02 64.09 2ksq s SER 135 CO 0.47 -1.62 1.84 0.00 0.98 0.00 0.00 173.24 174.91 2ksq h ALA 136 N -0.84 1.39 -0.21 5.32 0.00 -1.99 -2.48 119.26 120.46 2ksq h ALA 136 Ca -0.45 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.05 2ksq h ALA 136 Cb 1.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2ksq h ALA 136 CO 0.57 0.44 -0.37 0.00 0.00 0.00 0.00 179.25 179.89 2ksq h ALA 137 N 1.60 0.97 0.01 0.00 0.00 -1.99 -2.26 119.26 117.58 2ksq h ALA 137 Ca 0.02 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2ksq h ALA 137 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ksq h ALA 137 CO 0.04 0.61 -0.17 0.93 0.00 0.00 0.00 179.25 180.66 2ksq h GLU 138 N 0.39 0.11 -0.51 0.00 5.08 -1.88 -2.83 114.58 114.94 2ksq h GLU 138 Ca 0.04 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2ksq h GLU 138 Cb 0.83 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2ksq h GLU 138 CO 0.07 0.91 0.34 0.82 -1.00 0.00 0.00 179.01 180.15 2ksq h ILE 139 N -0.64 1.07 0.15 3.13 2.04 -1.50 -2.06 117.51 119.71 2ksq h ILE 139 Ca -0.02 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2ksq h ILE 139 Cb 0.97 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2ksq h ILE 139 CO 0.03 0.11 -0.07 0.74 0.00 0.00 0.00 178.15 178.96 2ksq h THR 140 N 0.61 1.00 0.43 -0.27 2.02 -1.47 -2.64 112.91 112.58 2ksq h THR 140 Ca 0.20 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 2ksq h THR 140 Cb 0.07 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2ksq h THR 140 CO -0.05 0.20 -0.30 -0.08 0.37 0.00 0.00 175.52 175.66 2ksq h GLU 141 N -0.65 -0.68 -0.70 6.66 4.22 -1.26 -1.68 114.58 120.50 2ksq h GLU 141 Ca -0.02 0.05 0.11 0.00 0.08 0.00 0.00 59.36 59.57 2ksq h GLU 141 Cb 0.48 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2ksq h GLU 141 CO 0.03 -0.46 0.46 0.87 -2.18 0.00 0.00 179.01 177.74 2ksq h LYS 142 N -0.71 0.52 0.00 1.92 1.57 -1.50 0.14 116.57 118.51 2ksq h LYS 142 Ca -0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2ksq h LYS 142 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2ksq h LYS 142 CO 0.03 0.34 0.00 1.28 -0.57 0.00 0.00 179.45 180.53 2ksq n LEU 143 N -4.49 0.00 -2.36 2.94 7.99 -1.00 -4.88 117.00 115.21 2ksq n LEU 143 Ca 0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.92 2ksq n LEU 143 Cb 0.38 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.69 2ksq n LEU 143 CO 0.33 0.00 -0.22 0.61 -1.51 0.00 0.00 177.39 176.60 2ksq n GLY 144 N 0.90 -0.45 0.34 -0.72 0.00 0.48 -4.88 105.19 100.86 2ksq n GLY 144 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2ksq n GLY 144 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksq h LEU 145 N -0.21 0.95 -0.78 0.99 7.12 -1.51 -0.47 115.31 121.41 2ksq h LEU 145 Ca -0.48 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.41 2ksq h LEU 145 Cb 1.35 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 2ksq h LEU 145 CO 0.56 0.63 -0.61 0.45 -0.13 0.00 0.00 178.44 179.34 2ksq h HIS 146 N 1.10 0.01 0.00 1.25 3.86 -1.90 -2.89 115.15 116.58 2ksq h HIS 146 Ca 0.38 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2ksq h HIS 146 Cb 0.10 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2ksq h HIS 146 CO -0.02 0.61 -0.19 0.43 0.86 0.00 0.00 177.93 179.63 2ksq n SER 147 N -3.82 0.22 -4.32 2.45 7.64 -0.73 -4.70 113.62 110.36 2ksq n SER 147 Ca -0.01 0.24 -0.39 0.00 1.01 0.00 0.00 58.87 59.72 2ksq n SER 147 Cb 0.61 -0.24 -0.12 0.00 -1.01 0.00 0.00 64.21 63.45 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 -3.01 4.19 -0.18 0.44 1.01 -0.26 -4.91 121.20 118.48 2ksq s ILE 148 Ca 0.13 -1.00 0.19 0.00 0.00 0.00 0.00 60.65 59.97 2ksq s ILE 148 Cb 0.18 -3.36 0.46 0.00 0.01 0.00 0.00 42.46 39.76 2ksq s ILE 148 CO 0.60 -0.21 1.16 0.54 0.00 0.00 0.00 174.94 177.02 2ksq n ARG 149 N 4.91 1.52 0.00 2.79 1.74 -1.26 -4.77 116.66 121.59 2ksq n ARG 149 Ca -0.12 -3.14 0.01 0.00 -0.77 0.00 0.00 57.85 53.83 2ksq n ARG 149 Cb 0.45 -1.24 -0.01 0.00 -1.02 0.00 0.00 32.46 30.64 2ksq n ARG 149 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ksq n ASN 150 N -0.36 0.47 -3.75 0.55 4.13 -1.26 -5.02 115.26 110.02 2ksq n ASN 150 Ca 0.15 -0.73 -0.12 0.00 1.68 0.00 0.00 54.58 55.55 2ksq n ASN 150 Cb 0.92 0.70 -0.12 0.00 -1.54 0.00 0.00 39.78 39.74 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2ksq s ARG 151 N -0.95 0.26 -0.67 3.52 1.81 -1.26 -5.10 118.95 116.56 2ksq s ARG 151 Ca 0.02 0.47 -0.26 0.00 -1.72 0.00 0.00 55.73 54.24 2ksq s ARG 151 Cb 0.02 0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 2ksq s ARG 151 CO 0.09 -0.11 2.00 -1.25 -0.68 0.00 0.00 175.30 175.36 2ksq s PRO 152 N 0.77 2.46 -0.03 3.54 0.04 -1.26 -4.93 135.00 135.59 2ksq s PRO 152 Ca -0.05 0.54 -0.00 0.00 0.04 0.00 0.00 61.00 61.52 2ksq s PRO 152 Cb -0.06 -4.59 0.03 0.00 0.04 0.00 0.00 34.50 29.92 2ksq s PRO 152 CO -0.05 -3.07 0.04 1.67 0.04 0.00 0.00 177.00 175.63 2ksq s TRP 153 N 10.18 0.03 0.18 0.56 1.48 -1.26 -2.23 118.94 127.89 2ksq s TRP 153 Ca 0.74 0.17 0.10 0.00 -1.06 0.00 0.00 56.10 56.05 2ksq s TRP 153 Cb -0.12 -0.28 -0.04 0.00 -1.16 0.00 0.00 33.47 31.86 2ksq s TRP 153 CO 0.16 -0.11 -0.20 -0.06 -4.06 0.00 0.00 176.95 172.68 2ksq s PHE 154 N 1.30 1.98 -0.08 1.66 0.40 -1.15 -4.98 117.98 117.12 2ksq s PHE 154 Ca -0.06 -0.43 0.04 0.00 -0.60 0.00 0.00 56.93 55.88 2ksq s PHE 154 Cb -0.13 -0.97 -0.00 0.00 0.51 0.00 0.00 43.02 42.43 2ksq s PHE 154 CO -0.03 0.41 -0.23 0.96 0.70 0.00 0.00 175.22 177.03 2ksq s ILE 155 N -2.01 1.91 -0.01 0.64 -5.25 -1.25 0.12 121.20 115.35 2ksq s ILE 155 Ca 0.18 -0.95 0.03 0.00 -0.99 0.00 0.00 60.65 58.92 2ksq s ILE 155 Cb -0.06 -1.65 -0.01 0.00 2.95 0.00 0.00 42.46 43.70 2ksq s ILE 155 CO 0.08 0.53 -0.11 -1.10 -1.79 0.00 0.00 174.94 172.55 2ksq s GLN 156 N 0.20 0.92 -0.36 0.37 -1.52 0.52 -4.96 119.66 114.83 2ksq s GLN 156 Ca -0.13 -0.38 -0.23 0.00 -1.95 0.00 0.00 55.36 52.67 2ksq s GLN 156 Cb -0.16 -0.88 0.01 0.00 -0.22 0.00 0.00 33.01 31.76 2ksq s GLN 156 CO 0.06 0.21 0.76 0.00 -0.25 0.00 0.00 175.29 176.08 2ksq s ALA 157 N -0.16 3.44 0.26 6.09 0.00 -1.26 0.10 121.76 130.23 2ksq s ALA 157 Ca 0.03 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2ksq s ALA 157 Cb -0.05 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 2ksq s ALA 157 CO -0.00 -1.45 0.04 -0.08 0.00 0.00 0.00 175.76 174.27 2ksq s THR 158 N 3.03 0.93 -0.28 0.00 -1.32 -1.06 -4.87 115.64 112.07 2ksq s THR 158 Ca 0.30 -2.01 -0.00 0.00 -1.21 0.00 0.00 61.69 58.77 2ksq s THR 158 Cb -0.13 -2.51 0.08 0.00 -1.51 0.00 0.00 72.50 68.43 2ksq s THR 158 CO 0.16 -0.17 0.05 0.00 -2.21 0.00 0.00 174.62 172.45 2ksq h ALA 160 N 8.03 0.80 -0.93 0.00 0.00 -1.92 0.89 119.26 126.14 2ksq h ALA 160 Ca -0.14 -0.47 0.22 0.00 0.00 0.00 0.00 54.91 54.52 2ksq h ALA 160 Cb 1.04 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2ksq h ALA 160 CO 0.44 0.66 0.62 0.00 0.00 0.00 0.00 179.25 180.97 2ksq h THR 161 N 0.44 0.64 0.00 0.00 1.03 -1.95 -2.85 112.91 110.22 2ksq h THR 161 Ca 0.03 -0.13 -0.29 0.00 -0.01 0.00 0.00 66.41 66.00 2ksq h THR 161 Cb 0.97 0.23 -0.05 0.00 -1.07 0.00 0.00 68.15 68.23 2ksq h THR 161 CO 0.09 0.07 -2.11 -0.24 -0.01 0.00 0.00 175.52 173.32 2ksq n SER 162 N -4.51 2.38 0.00 0.00 2.88 -1.14 -4.72 113.62 108.51 2ksq n SER 162 Ca 0.20 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2ksq n SER 162 Cb 0.75 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2ksq n SER 162 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ksq n GLY 163 N 2.53 0.84 3.76 0.46 0.00 0.31 -4.96 105.19 108.13 2ksq n GLY 163 Ca -0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2ksq n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksq s GLU 164 N -0.72 4.43 0.00 1.61 2.02 -1.02 -2.86 118.70 122.16 2ksq s GLU 164 Ca 0.00 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.07 2ksq s GLU 164 Cb 0.00 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.10 2ksq s GLU 164 CO 0.00 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.59 2ksq n GLY 165 N 1.22 2.91 0.20 -1.39 0.00 -1.26 -2.58 105.19 104.29 2ksq n GLY 165 Ca 0.01 0.00 -0.10 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 0.61 -0.54 0.99 4.07 -1.87 -2.81 115.31 115.76 2ksq h LEU 166 Ca 0.00 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.68 2ksq h LEU 166 Cb 0.00 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 2ksq h LEU 166 CO 0.00 0.74 0.34 1.88 -1.08 0.00 0.00 178.44 180.31 2ksq h TYR 167 N 0.46 0.69 -0.89 1.13 -1.99 -1.90 -2.42 116.97 112.05 2ksq h TYR 167 Ca 0.11 0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.93 2ksq h TYR 167 Cb 0.40 -0.23 -0.06 0.00 2.00 0.00 0.00 36.73 38.84 2ksq h TYR 167 CO 0.03 0.46 0.58 1.49 -0.00 0.00 0.00 178.16 180.72 2ksq h GLU 168 N 0.72 0.92 -0.63 4.88 4.81 -1.93 -2.16 114.58 121.20 2ksq h GLU 168 Ca 0.19 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2ksq h GLU 168 Cb -0.05 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 2ksq h GLU 168 CO -0.04 0.61 0.41 0.78 -0.73 0.00 0.00 179.01 180.04 2ksq h GLY 169 N 0.95 0.89 2.00 1.92 0.00 -1.17 -0.60 103.07 107.06 2ksq h GLY 169 Ca 0.40 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2ksq h GLY 169 CO -0.16 0.30 -0.25 -2.00 0.00 0.00 0.00 176.54 174.43 2ksq h LEU 170 N 0.83 0.00 0.03 3.11 5.85 -1.30 -2.75 115.31 121.08 2ksq h LEU 170 Ca 0.24 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.69 2ksq h LEU 170 Cb -0.07 0.00 0.01 0.00 0.37 0.00 0.00 40.66 40.98 2ksq h LEU 170 CO -0.06 0.25 -1.16 -0.33 -0.34 0.00 0.00 178.44 176.80 2ksq h GLU 171 N 0.00 0.46 -0.04 1.25 5.08 -0.95 -2.94 114.58 117.44 2ksq h GLU 171 Ca -0.00 -0.61 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 2ksq h GLU 171 Cb 0.51 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2ksq h GLU 171 CO 0.03 1.25 0.01 -1.49 -1.00 0.00 0.00 179.01 177.82 2ksq h TRP 172 N 0.20 0.06 0.13 4.33 -0.00 -0.93 -2.75 115.95 117.01 2ksq h TRP 172 Ca -0.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.74 2ksq h TRP 172 Cb 1.83 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.16 30.97 2ksq h TRP 172 CO 0.08 0.25 -0.07 1.25 -0.00 0.00 0.00 178.44 179.95 2ksq h LEU 173 N -0.14 -0.18 -1.78 -4.49 6.46 -1.61 -2.54 115.31 111.02 2ksq h LEU 173 Ca 0.01 0.01 0.21 0.00 -0.12 0.00 0.00 57.88 57.99 2ksq h LEU 173 Cb 0.22 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.15 2ksq h LEU 173 CO -0.00 -0.12 0.56 -1.28 -0.62 0.00 0.00 178.44 176.98 2ksq h SER 174 N -0.19 0.18 0.49 1.25 0.87 -1.51 0.36 113.55 115.00 2ksq h SER 174 Ca -0.01 0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 2ksq h SER 174 Cb 0.16 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2ksq h SER 174 CO 0.02 0.08 -0.77 0.78 -0.53 0.00 0.00 176.83 176.40 2ksq h ASN 175 N 0.18 0.27 0.38 6.23 4.21 -1.15 -2.82 115.58 122.88 2ksq h ASN 175 Ca 0.40 -0.20 -0.06 0.00 1.21 0.00 0.00 56.30 57.65 2ksq h ASN 175 Cb 1.30 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.41 2ksq h ASN 175 CO -0.08 0.94 -0.30 0.00 -1.29 0.00 0.00 177.43 176.71 2ksq h LEU 177 N 0.00 0.00 2.13 0.00 4.07 -1.55 -3.47 115.31 116.49 2ksq h LEU 177 Ca -0.00 -0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.84 2ksq h LEU 177 Cb 0.57 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2ksq h LEU 177 CO 0.04 0.78 -0.12 0.29 -1.08 0.00 0.00 178.44 178.35 2ksq n LYS 178 N -4.62 -2.74 -0.10 1.13 4.76 -1.07 -4.45 118.16 111.07 2ksq n LYS 178 Ca -0.08 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2ksq n LYS 178 Cb 0.27 -4.73 0.00 0.00 -1.84 0.00 0.00 35.03 28.73 2ksq n LYS 178 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2ksq n ASN 179 N -1.61 0.00 -1.43 4.39 3.02 -1.26 -5.15 115.26 113.21 2ksq n ASN 179 Ca -0.04 -0.30 0.18 0.00 -0.03 0.00 0.00 54.58 54.38 2ksq n ASN 179 Cb 0.53 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.63 2ksq n ASN 179 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ksq n SER 180 N 0.00 -8.35 0.00 6.41 7.64 -1.26 -5.07 113.62 112.98 2ksq n SER 180 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2ksq n SER 180 Cb 0.15 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 58.69 2ksq n SER 180 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38