#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 0.27 -0.25 0.99 -0.00 -2.06 -2.69 115.31 111.57 2ksq h LEU 3 Ca 0.00 -0.47 -0.06 0.00 -0.00 0.00 0.00 57.88 57.35 2ksq h LEU 3 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.58 2ksq h LEU 3 CO 0.00 0.69 -0.07 0.15 -0.00 0.00 0.00 178.44 179.21 2ksq h PHE 4 N -0.14 0.56 0.20 1.13 3.57 -2.06 -2.99 116.94 117.21 2ksq h PHE 4 Ca 0.02 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.41 2ksq h PHE 4 Cb 0.61 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 2ksq h PHE 4 CO 0.08 0.72 -0.43 0.00 -2.23 0.00 0.00 178.31 176.45 2ksq h ALA 5 N 0.76 -0.82 -0.63 2.41 0.00 -2.00 -1.25 119.26 117.72 2ksq h ALA 5 Ca 0.06 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.06 2ksq h ALA 5 Cb 0.54 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2ksq h ALA 5 CO 0.03 -1.02 0.47 1.03 0.00 0.00 0.00 179.25 179.75 2ksq h SER 6 N -0.72 0.00 0.04 0.00 0.87 -1.53 -0.87 113.55 111.33 2ksq h SER 6 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ksq h SER 6 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2ksq h SER 6 CO -0.20 0.00 -0.02 0.50 -0.53 0.00 0.00 176.83 176.58 2ksq h LYS 7 N 0.00 -0.05 -0.02 2.24 3.64 -1.11 -1.08 116.57 120.19 2ksq h LYS 7 Ca 0.30 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 2ksq h LYS 7 Cb 1.24 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2ksq h LYS 7 CO -0.00 0.45 0.02 -0.07 -2.27 0.00 0.00 179.45 177.58 2ksq h LEU 8 N -0.57 0.00 -0.02 5.20 -0.00 -0.25 -1.75 115.31 117.92 2ksq h LEU 8 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.61 2ksq h LEU 8 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.20 2ksq h LEU 8 CO 0.01 0.00 -1.08 0.15 -0.00 0.00 0.00 178.44 177.52 2ksq h PHE 9 N 0.00 0.89 -0.43 1.13 3.57 -1.13 -3.25 116.94 117.71 2ksq h PHE 9 Ca 0.01 -0.51 0.05 0.00 3.53 0.00 0.00 57.97 61.05 2ksq h PHE 9 Cb 0.05 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2ksq h PHE 9 CO 0.00 1.35 0.29 1.03 -2.23 0.00 0.00 178.31 178.75 2ksq h SER 10 N 0.31 0.34 0.08 0.41 0.87 -0.28 -0.97 113.55 114.31 2ksq h SER 10 Ca -0.13 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2ksq h SER 10 Cb 1.73 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2ksq h SER 10 CO 0.20 0.23 -0.04 0.78 -0.53 0.00 0.00 176.83 177.47 2ksq h ASN 11 N 0.39 0.00 -0.63 6.23 2.35 -1.54 -2.17 115.58 120.21 2ksq h ASN 11 Ca 0.18 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.01 2ksq h ASN 11 Cb 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2ksq h ASN 11 CO -0.04 0.04 0.42 0.25 -1.65 0.00 0.00 177.43 176.45 2ksq h LEU 12 N 0.00 0.49 -3.55 1.61 5.85 -1.32 0.12 115.31 118.51 2ksq h LEU 12 Ca -0.00 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.48 2ksq h LEU 12 Cb 0.10 -0.10 -0.15 0.00 0.37 0.00 0.00 40.66 40.88 2ksq h LEU 12 CO 0.01 0.31 0.15 0.49 -0.34 0.00 0.00 178.44 179.06 2ksq n PHE 13 N -4.48 1.72 -1.90 1.25 3.72 -0.82 -4.46 117.46 112.50 2ksq n PHE 13 Ca 0.10 -1.52 -0.05 0.00 -0.05 0.00 0.00 57.45 55.92 2ksq n PHE 13 Cb 0.29 -0.61 -0.05 0.00 -0.94 0.00 0.00 39.48 38.18 2ksq n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ksq n GLY 14 N -0.94 0.43 2.40 1.37 0.00 -0.37 -5.12 105.19 102.96 2ksq n GLY 14 Ca 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.26 2ksq n GLY 14 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ksq n ASN 15 N 0.00 1.92 -2.32 1.61 6.94 0.29 -4.63 115.26 119.06 2ksq n ASN 15 Ca -0.19 -2.13 -0.10 0.00 -0.02 0.00 0.00 54.58 52.14 2ksq n ASN 15 Cb 0.58 -0.08 -0.01 0.00 -2.36 0.00 0.00 39.78 37.91 2ksq n ASN 15 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2ksq n LYS 16 N -1.42 -2.24 -4.09 -3.83 0.00 -1.26 -4.92 118.16 100.39 2ksq n LYS 16 Ca 0.01 0.50 -0.14 0.00 -0.00 0.00 0.00 58.31 58.68 2ksq n LYS 16 Cb 0.39 -5.03 -0.12 0.00 -0.00 0.00 0.00 35.03 30.26 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2ksq s GLU 17 N -4.77 0.51 0.02 -1.58 -1.05 -1.26 -2.36 118.70 108.20 2ksq s GLU 17 Ca 0.00 -0.61 0.03 0.00 -0.15 0.00 0.00 54.97 54.24 2ksq s GLU 17 Cb 0.00 -0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.34 2ksq s GLU 17 CO 0.00 0.07 -0.10 -1.64 0.95 0.00 0.00 175.26 174.54 2ksq s MET 18 N -1.19 0.73 -0.23 -4.83 -1.94 -1.13 -4.94 119.30 105.76 2ksq s MET 18 Ca -0.07 -0.55 -0.10 0.00 -1.71 0.00 0.00 55.69 53.27 2ksq s MET 18 Cb -0.08 -0.67 -0.05 0.00 2.01 0.00 0.00 34.83 36.04 2ksq s MET 18 CO 0.00 0.17 0.13 1.03 -0.01 0.00 0.00 175.02 176.35 2ksq s ARG 19 N -0.81 4.01 0.09 2.03 1.81 -1.26 -1.44 118.95 123.37 2ksq s ARG 19 Ca -0.00 -0.31 0.08 0.00 -1.72 0.00 0.00 55.73 53.78 2ksq s ARG 19 Cb -0.06 -3.46 -0.03 0.00 -0.45 0.00 0.00 34.95 30.95 2ksq s ARG 19 CO 0.00 0.07 -0.20 0.42 -0.68 0.00 0.00 175.30 174.92 2ksq s ILE 20 N 0.99 1.63 0.01 1.52 -1.09 0.30 0.62 121.20 125.18 2ksq s ILE 20 Ca 0.07 -1.47 0.03 0.00 -2.23 0.00 0.00 60.65 57.04 2ksq s ILE 20 Cb -0.13 -1.48 -0.01 0.00 -1.58 0.00 0.00 42.46 39.26 2ksq s ILE 20 CO 0.04 -0.05 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.38 2ksq s LEU 21 N -1.80 2.07 -0.26 2.97 2.96 -0.97 -1.42 118.68 122.22 2ksq s LEU 21 Ca 0.05 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2ksq s LEU 21 Cb -0.10 -0.43 0.04 0.00 0.50 0.00 0.00 46.19 46.20 2ksq s LEU 21 CO 0.04 0.06 -0.05 -0.04 -1.32 0.00 0.00 176.35 175.03 2ksq s MET 22 N -0.52 2.65 0.03 1.98 -1.94 0.20 0.11 119.30 121.81 2ksq s MET 22 Ca 0.01 -1.10 0.06 0.00 -1.71 0.00 0.00 55.69 52.95 2ksq s MET 22 Cb -0.05 -3.02 -0.02 0.00 2.01 0.00 0.00 34.83 33.75 2ksq s MET 22 CO 0.00 -0.48 -0.18 0.08 -0.01 0.00 0.00 175.02 174.43 2ksq s VAL 23 N 1.28 1.44 -1.22 -6.03 1.01 -1.06 -2.64 120.40 113.18 2ksq s VAL 23 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2ksq s VAL 23 Cb -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2ksq s VAL 23 CO -0.04 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2ksq n GLY 24 N 2.08 -1.31 3.72 4.51 0.00 -1.26 -1.83 105.19 111.10 2ksq n GLY 24 Ca -0.17 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 2ksq n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksq s LEU 25 N 0.00 2.25 0.00 0.99 1.02 -1.26 -3.79 118.68 117.89 2ksq s LEU 25 Ca 0.00 1.46 0.22 0.00 0.02 0.00 0.00 54.13 55.83 2ksq s LEU 25 Cb 0.00 -3.88 1.30 0.00 0.02 0.00 0.00 46.19 43.63 2ksq s LEU 25 CO 0.00 -2.61 1.71 -0.67 0.02 0.00 0.00 176.35 174.80 2ksq n ASP 26 N -3.86 0.00 0.00 2.29 2.03 0.66 -3.16 116.55 114.50 2ksq n ASP 26 Ca 0.07 -0.61 0.00 0.00 0.52 0.00 0.00 54.79 54.77 2ksq n ASP 26 Cb 0.55 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.42 -0.21 0.13 0.27 0.00 -1.26 -4.82 105.19 99.71 2ksq n GLY 27 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.22 0.00 4.61 0.00 -1.87 -3.48 119.26 118.29 2ksq h ALA 28 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ksq h ALA 28 Cb 0.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ksq h ALA 28 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.13 2ksq n GLY 29 N -0.66 1.78 0.32 0.00 0.00 -1.26 -4.67 105.19 100.71 2ksq n GLY 29 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 0.71 -0.64 1.61 2.10 -1.93 -1.94 116.57 116.47 2ksq h LYS 30 Ca 0.00 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.56 2ksq h LYS 30 Cb 0.00 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 31.15 2ksq h LYS 30 CO 0.00 0.50 0.28 1.15 -2.00 0.00 0.00 179.45 179.37 2ksq h THR 31 N 0.72 1.22 -0.36 0.07 2.02 -1.95 -2.57 112.91 112.06 2ksq h THR 31 Ca 0.19 -0.66 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 2ksq h THR 31 Cb -0.03 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2ksq h THR 31 CO -0.04 0.27 -0.28 0.74 0.37 0.00 0.00 175.52 176.58 2ksq h THR 32 N 0.92 1.28 0.11 3.16 2.02 -1.73 -2.92 112.91 115.74 2ksq h THR 32 Ca 0.22 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 2ksq h THR 32 Cb 0.15 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2ksq h THR 32 CO -0.02 0.47 -0.05 0.58 0.37 0.00 0.00 175.52 176.86 2ksq h VAL 33 N 0.65 1.07 -0.94 3.16 2.07 -1.26 -1.83 116.25 119.17 2ksq h VAL 33 Ca 0.08 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.87 2ksq h VAL 33 Cb 0.80 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 2ksq h VAL 33 CO 0.07 0.19 0.59 -0.07 0.02 0.00 0.00 177.57 178.37 2ksq h LEU 34 N -0.53 0.93 -0.40 2.57 4.07 -1.53 -1.55 115.31 118.87 2ksq h LEU 34 Ca -0.02 0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 2ksq h LEU 34 Cb 0.43 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 2ksq h LEU 34 CO 0.03 0.58 -0.56 1.88 -1.08 0.00 0.00 178.44 179.29 2ksq h TYR 35 N 1.06 0.90 -0.26 1.13 -1.99 -1.53 -0.52 116.97 115.75 2ksq h TYR 35 Ca 0.42 -0.32 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 2ksq h TYR 35 Cb 0.21 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 2ksq h TYR 35 CO -0.02 1.11 0.14 -0.22 -0.00 0.00 0.00 178.16 179.17 2ksq h LYS 36 N 0.55 0.37 0.00 4.88 1.63 -0.74 0.43 116.57 123.69 2ksq h LYS 36 Ca 0.01 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 2ksq h LYS 36 Cb 1.13 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2ksq h LYS 36 CO 0.11 0.35 -0.22 1.25 -3.45 0.00 0.00 179.45 177.49 2ksq h LEU 37 N 0.31 0.00 0.10 5.20 7.12 -1.31 0.81 115.31 127.54 2ksq h LEU 37 Ca 0.09 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.91 2ksq h LEU 37 Cb 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 2ksq h LEU 37 CO -0.01 0.22 -0.92 0.50 -0.13 0.00 0.00 178.44 178.09 2ksq h LYS 38 N 0.00 0.20 -0.00 1.25 1.63 -0.47 -3.40 116.57 115.78 2ksq h LYS 38 Ca -0.00 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2ksq h LYS 38 Cb 0.84 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2ksq h LYS 38 CO 0.03 1.17 -0.28 1.47 -3.45 0.00 0.00 179.45 178.39 2ksq n LEU 39 N -4.16 0.62 0.00 5.20 -0.00 0.15 -5.00 117.00 113.81 2ksq n LEU 39 Ca -0.19 -0.60 0.00 0.00 -0.00 0.00 0.00 56.01 55.22 2ksq n LEU 39 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 2ksq n LEU 39 CO 0.41 0.14 0.00 0.61 -0.00 0.00 0.00 177.39 178.55 2ksq n GLY 40 N 1.03 0.38 3.01 1.47 0.00 0.28 -5.00 105.19 106.37 2ksq n GLY 40 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.60 0.54 -0.08 1.61 2.02 -1.25 -5.01 118.70 115.93 2ksq s GLU 41 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 2ksq s GLU 41 Cb 0.00 -0.48 -0.02 0.00 0.10 0.00 0.00 34.13 33.73 2ksq s GLU 41 CO 0.00 0.12 1.04 0.08 0.02 0.00 0.00 175.26 176.52 2ksq s VAL 42 N -0.46 4.69 0.44 2.63 1.01 -1.26 -4.23 120.40 123.22 2ksq s VAL 42 Ca -0.00 1.96 0.05 0.00 0.00 0.00 0.00 61.98 63.99 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 0.02 0.03 0.27 0.00 0.00 0.00 175.10 175.43 2ksq s ILE 43 N 1.91 1.79 -0.17 2.22 -0.00 -1.26 -5.10 121.20 120.59 2ksq s ILE 43 Ca 0.50 -1.96 -0.29 0.00 -0.00 0.00 0.00 60.65 58.90 2ksq s ILE 43 Cb -0.20 -2.75 -0.02 0.00 -0.00 0.00 0.00 42.46 39.49 2ksq s ILE 43 CO 0.20 0.00 1.31 0.42 -0.00 0.00 0.00 174.94 176.87 2ksq s THR 44 N -2.75 4.19 0.21 8.37 -4.23 -1.26 -4.97 115.64 115.22 2ksq s THR 44 Ca 0.28 1.43 0.02 0.00 -1.18 0.00 0.00 61.69 62.24 2ksq s THR 44 Cb 0.07 -3.97 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 2ksq s THR 44 CO 0.14 -0.17 0.37 0.42 -0.54 0.00 0.00 174.62 174.84 2ksq s THR 45 N 3.69 5.24 0.15 3.99 -4.23 -1.26 -5.09 115.64 118.13 2ksq s THR 45 Ca 0.57 -0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 60.35 2ksq s THR 45 Cb -0.22 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.83 2ksq s THR 45 CO 0.17 -0.24 0.27 0.27 -0.54 0.00 0.00 174.62 174.55 2ksq s ILE 46 N -1.92 0.08 -0.19 2.99 -5.25 -1.26 -5.11 121.20 110.54 2ksq s ILE 46 Ca 0.36 -1.32 -0.31 0.00 -0.99 0.00 0.00 60.65 58.40 2ksq s ILE 46 Cb -0.10 -1.72 -0.08 0.00 2.95 0.00 0.00 42.46 43.51 2ksq s ILE 46 CO 0.30 -0.37 2.14 -2.65 -1.79 0.00 0.00 174.94 172.56 2ksq n PRO 47 N -0.18 1.95 -2.70 0.37 -0.02 -1.26 -4.92 135.00 128.24 2ksq n PRO 47 Ca -0.09 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 2ksq n PRO 47 Cb 0.63 -2.98 -0.02 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 7.01 4.68 -1.01 3.45 -4.23 -1.26 -4.96 115.64 119.33 2ksq s THR 48 Ca 1.00 1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 63.38 2ksq s THR 48 Cb -0.50 -4.29 0.32 0.00 1.34 0.00 0.00 72.50 69.36 2ksq s THR 48 CO 0.41 -0.21 1.63 0.00 -0.54 0.00 0.00 174.62 175.91 2ksq n ILE 49 N 5.40 5.58 0.00 2.99 0.13 -1.26 -4.23 119.36 127.97 2ksq n ILE 49 Ca 0.11 -5.93 0.00 0.00 -1.10 0.00 0.00 62.75 55.83 2ksq n ILE 49 Cb 0.46 -1.73 0.00 0.00 -0.84 0.00 0.00 39.64 37.54 2ksq n ILE 49 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2ksq n GLY 50 N 0.39 -0.53 3.10 4.50 0.00 -1.26 -5.05 105.19 106.34 2ksq n GLY 50 Ca 0.39 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.51 0.33 -0.12 1.61 -0.12 -1.26 -1.72 117.98 116.20 2ksq s PHE 51 Ca 0.00 -0.75 -0.08 0.00 -0.05 0.00 0.00 56.93 56.06 2ksq s PHE 51 Cb 0.00 -0.24 0.04 0.00 -0.63 0.00 0.00 43.02 42.19 2ksq s PHE 51 CO 0.00 -0.37 0.29 -0.80 -0.05 0.00 0.00 175.22 174.29 2ksq s ASN 52 N -2.45 -0.32 -0.16 1.98 0.01 -0.93 -4.98 114.94 108.09 2ksq s ASN 52 Ca -0.00 0.61 -0.01 0.00 -0.71 0.00 0.00 52.86 52.75 2ksq s ASN 52 Cb 0.02 0.54 -0.01 0.00 0.41 0.00 0.00 41.25 42.21 2ksq s ASN 52 CO -0.07 -0.15 -0.13 0.54 -1.51 0.00 0.00 177.10 175.79 2ksq s VAL 53 N 0.89 2.92 -0.18 1.60 0.11 -1.26 0.54 120.40 125.02 2ksq s VAL 53 Ca -0.06 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.28 2ksq s VAL 53 Cb -0.07 -2.25 -0.02 0.00 -1.53 0.00 0.00 36.38 32.52 2ksq s VAL 53 CO -0.06 0.50 -0.06 -1.61 -3.33 0.00 0.00 175.10 170.54 2ksq s GLU 54 N 0.76 3.47 -0.35 1.54 0.41 -0.72 -4.96 118.70 118.85 2ksq s GLU 54 Ca -0.05 -0.61 -0.19 0.00 -0.41 0.00 0.00 54.97 53.71 2ksq s GLU 54 Cb -0.15 -2.88 -0.00 0.00 -1.78 0.00 0.00 34.13 29.32 2ksq s GLU 54 CO 0.01 0.05 0.56 0.00 -0.49 0.00 0.00 175.26 175.40 2ksq s VAL 56 N 2.51 1.41 -0.11 0.00 1.01 -1.06 -5.03 120.40 119.13 2ksq s VAL 56 Ca 0.21 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2ksq s VAL 56 Cb -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2ksq s VAL 56 CO 0.14 0.40 -0.10 -1.58 0.00 0.00 0.00 175.10 173.95 2ksq s GLN 57 N -0.42 3.13 -0.17 2.72 -0.44 -1.26 -1.20 119.66 122.01 2ksq s GLN 57 Ca 0.07 -0.63 -0.28 0.00 -2.50 0.00 0.00 55.36 52.02 2ksq s GLN 57 Cb -0.07 -2.62 0.09 0.00 -1.64 0.00 0.00 33.01 28.77 2ksq s GLN 57 CO -0.01 0.39 0.82 -0.47 0.50 0.00 0.00 175.29 176.52 2ksq s TYR 58 N -0.09 -0.60 -1.22 1.67 5.04 0.21 -4.94 117.35 117.41 2ksq s TYR 58 Ca -0.01 1.25 -0.06 0.00 -2.44 0.00 0.00 57.07 55.81 2ksq s TYR 58 Cb -0.14 0.37 0.05 0.00 0.35 0.00 0.00 41.96 42.59 2ksq s TYR 58 CO 0.03 -0.43 0.36 0.00 -1.34 0.00 0.00 175.55 174.18 2ksq n ASN 60 N -2.17 0.00 -4.72 0.00 5.15 -1.26 -5.00 115.26 107.26 2ksq n ASN 60 Ca -0.06 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.70 2ksq n ASN 60 Cb 0.56 -0.17 -0.06 0.00 -0.53 0.00 0.00 39.78 39.59 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 -3.45 3.40 -0.36 -1.44 -4.36 0.17 -4.92 121.20 110.24 2ksq s ILE 61 Ca 0.00 -1.73 0.03 0.00 -0.26 0.00 0.00 60.65 58.69 2ksq s ILE 61 Cb 0.00 -2.99 0.11 0.00 1.25 0.00 0.00 42.46 40.82 2ksq s ILE 61 CO 0.00 -0.28 0.10 -0.44 0.24 0.00 0.00 174.94 174.56 2ksq s SER 62 N -3.79 4.45 -0.01 4.36 0.01 -1.00 0.65 113.70 118.38 2ksq s SER 62 Ca 0.35 -2.19 -0.22 0.00 1.31 0.00 0.00 55.95 55.20 2ksq s SER 62 Cb -0.05 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.73 2ksq s SER 62 CO 0.22 -0.36 0.67 0.72 0.41 0.00 0.00 173.24 174.90 2ksq s PHE 63 N 0.87 3.67 -0.30 2.43 -0.12 -0.34 -2.86 117.98 121.32 2ksq s PHE 63 Ca 0.12 1.28 -0.10 0.00 -0.05 0.00 0.00 56.93 58.18 2ksq s PHE 63 Cb -0.20 -2.72 -0.02 0.00 -0.63 0.00 0.00 43.02 39.45 2ksq s PHE 63 CO -0.10 0.26 0.17 0.99 -0.05 0.00 0.00 175.22 176.48 2ksq s THR 64 N 0.12 4.86 -0.43 -4.49 2.01 -0.52 -2.57 115.64 114.61 2ksq s THR 64 Ca 0.35 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.06 2ksq s THR 64 Cb -0.19 -3.42 0.10 0.00 0.01 0.00 0.00 72.50 69.00 2ksq s THR 64 CO 0.19 0.13 0.27 0.68 -0.69 0.00 0.00 174.62 175.20 2ksq s VAL 65 N 1.67 4.02 -0.27 3.82 -7.23 -0.87 0.11 120.40 121.66 2ksq s VAL 65 Ca 0.06 -1.65 -0.19 0.00 -1.81 0.00 0.00 61.98 58.38 2ksq s VAL 65 Cb -0.17 -3.57 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 2ksq s VAL 65 CO 0.08 -0.62 0.58 0.86 -0.31 0.00 0.00 175.10 175.69 2ksq s TRP 66 N 1.35 3.26 -0.32 2.82 -0.11 -0.51 -1.75 118.94 123.67 2ksq s TRP 66 Ca 0.05 0.70 -0.04 0.00 1.22 0.00 0.00 56.10 58.02 2ksq s TRP 66 Cb -0.24 -2.82 0.04 0.00 -1.50 0.00 0.00 33.47 28.95 2ksq s TRP 66 CO -0.00 -0.34 0.06 0.16 -4.62 0.00 0.00 176.95 172.21 2ksq s ASP 67 N 1.53 5.13 0.07 5.86 -4.77 0.19 0.58 116.67 125.25 2ksq s ASP 67 Ca 0.24 -1.20 -0.18 0.00 -3.30 0.00 0.00 52.55 48.12 2ksq s ASP 67 Cb -0.15 -1.80 -0.06 0.00 -1.09 0.00 0.00 42.92 39.81 2ksq s ASP 67 CO 0.09 -0.30 0.53 -0.69 0.70 0.00 0.00 175.17 175.51 2ksq s VAL 68 N 1.34 4.82 0.47 2.11 1.01 -1.08 -2.18 120.40 126.88 2ksq s VAL 68 Ca -0.03 1.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.81 2ksq s VAL 68 Cb -0.20 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 2ksq s VAL 68 CO 0.01 0.52 0.81 0.61 0.00 0.00 0.00 175.10 177.05 2ksq n GLY 69 N 1.63 -0.76 2.36 4.51 0.00 -0.70 -4.63 105.19 107.61 2ksq n GLY 69 Ca -0.11 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 1.45 4.53 3.21 -0.02 0.00 -1.25 -4.69 105.19 108.42 2ksq n GLY 70 Ca 0.11 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 2ksq n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ksq s GLN 71 N 0.34 3.09 0.21 1.61 2.00 -1.26 -0.25 119.66 125.40 2ksq s GLN 71 Ca 0.62 -0.83 -0.10 0.00 -2.00 0.00 0.00 55.36 53.05 2ksq s GLN 71 Cb 0.22 -2.45 0.30 0.00 0.80 0.00 0.00 33.01 31.88 2ksq s GLN 71 CO -0.08 0.06 1.69 -0.44 -0.50 0.00 0.00 175.29 176.02 2ksq h ASP 72 N 7.11 -0.08 0.21 6.67 5.19 -1.96 0.92 116.42 134.48 2ksq h ASP 72 Ca -0.28 0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.23 2ksq h ASP 72 Cb 1.21 0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.90 2ksq h ASP 72 CO 0.53 -0.03 -0.11 -0.09 -3.12 0.00 0.00 179.24 176.42 2ksq h ARG 73 N 0.21 0.00 0.00 3.56 1.12 -1.98 -2.19 114.38 115.10 2ksq h ARG 73 Ca 0.32 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.19 2ksq h ARG 73 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 2ksq h ARG 73 CO -0.44 0.11 -1.05 -0.89 -3.11 0.00 0.00 179.97 174.59 2ksq n ILE 74 N -3.96 0.07 -0.10 1.20 5.41 0.10 -4.32 119.36 117.76 2ksq n ILE 74 Ca -0.02 -0.16 0.27 0.00 1.00 0.00 0.00 62.75 63.84 2ksq n ILE 74 Cb 0.20 0.46 0.69 0.00 -0.71 0.00 0.00 39.64 40.27 2ksq n ILE 74 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2ksq h ARG 75 N 0.00 0.00 0.00 0.38 3.08 0.13 0.41 114.38 118.38 2ksq h ARG 75 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2ksq h ARG 75 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2ksq h ARG 75 CO 0.00 0.00 -0.12 0.77 -1.07 0.00 0.00 179.97 179.55 2ksq h SER 76 N 0.00 0.00 -0.17 7.04 0.02 -1.75 -2.31 113.55 116.37 2ksq h SER 76 Ca 0.37 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.37 2ksq h SER 76 Cb 1.83 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 2ksq h SER 76 CO -0.00 0.12 0.13 -0.07 -1.14 0.00 0.00 176.83 175.87 2ksq h LEU 77 N 0.00 0.00 -0.75 5.07 3.38 -0.48 -2.35 115.31 120.18 2ksq h LEU 77 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2ksq h LEU 77 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2ksq h LEU 77 CO 0.02 0.00 0.45 -0.50 0.09 0.00 0.00 178.44 178.49 2ksq h TRP 78 N 0.00 0.83 -0.85 1.13 6.55 -1.57 -1.53 115.95 120.50 2ksq h TRP 78 Ca 0.08 0.03 -0.42 0.00 0.95 0.00 0.00 58.89 59.53 2ksq h TRP 78 Cb 0.34 -0.26 -0.25 0.00 -0.86 0.00 0.00 29.16 28.13 2ksq h TRP 78 CO 0.00 0.42 0.53 2.89 -1.05 0.00 0.00 178.44 181.23 2ksq n ARG 79 N -4.70 2.34 -0.00 0.49 1.85 -0.89 -3.26 116.66 112.49 2ksq n ARG 79 Ca 0.10 -2.69 0.03 0.00 -1.00 0.00 0.00 57.85 54.29 2ksq n ARG 79 Cb 0.16 -2.06 -0.05 0.00 -1.05 0.00 0.00 32.46 29.46 2ksq n ARG 79 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2ksq n HIS 80 N -0.82 0.00 -2.03 2.89 -0.00 -0.58 -4.80 115.22 109.88 2ksq n HIS 80 Ca 0.51 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.66 2ksq n HIS 80 Cb 1.51 -0.12 -0.03 0.00 -0.12 0.00 0.00 29.99 31.22 2ksq n HIS 80 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 2ksq n TYR 81 N -1.63 0.00 -0.50 1.57 4.11 -1.22 -4.96 117.16 114.53 2ksq n TYR 81 Ca -0.01 -0.26 0.41 0.00 -0.00 0.00 0.00 57.90 58.04 2ksq n TYR 81 Cb 0.16 0.32 0.69 0.00 -0.00 0.00 0.00 39.34 40.51 2ksq n TYR 81 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 2ksq h TYR 82 N 0.07 0.40 0.00 -3.48 0.05 -1.81 -3.44 116.97 108.76 2ksq h TYR 82 Ca -0.27 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2ksq h TYR 82 Cb 1.27 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.92 2ksq h TYR 82 CO -0.19 -0.17 0.00 0.00 -1.05 0.00 0.00 178.16 176.75 2ksq n ASN 84 N 1.70 -1.73 -4.72 0.00 6.94 -1.26 -5.14 115.26 111.06 2ksq n ASN 84 Ca 0.00 -1.74 -0.41 0.00 -0.02 0.00 0.00 54.58 52.41 2ksq n ASN 84 Cb 0.00 0.94 -0.04 0.00 -2.36 0.00 0.00 39.78 38.32 2ksq n ASN 84 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2ksq s THR 85 N 0.57 4.90 -0.00 5.53 2.01 -1.23 -4.61 115.64 122.81 2ksq s THR 85 Ca 0.26 1.82 0.11 0.00 0.31 0.00 0.00 61.69 64.20 2ksq s THR 85 Cb 0.16 -4.21 -0.20 0.00 0.01 0.00 0.00 72.50 68.27 2ksq s THR 85 CO -0.11 0.22 0.94 -0.33 -0.69 0.00 0.00 174.62 174.65 2ksq h GLU 86 N 6.63 0.00 -2.15 4.92 5.08 -0.19 -3.43 114.58 125.45 2ksq h GLU 86 Ca -0.41 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.96 2ksq h GLU 86 Cb 1.21 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.24 2ksq h GLU 86 CO 0.75 0.65 -0.15 0.20 -1.00 0.00 0.00 179.01 179.45 2ksq s GLY 87 N -4.90 -0.61 -0.19 -3.84 0.00 -0.74 -2.89 107.32 94.15 2ksq s GLY 87 Ca -0.02 2.14 -0.07 0.00 0.00 0.00 0.00 44.72 46.78 2ksq s GLY 87 CO 0.82 2.68 0.05 0.54 0.00 0.00 0.00 173.10 177.18 2ksq s VAL 88 N 2.43 4.53 -0.35 1.40 0.11 -1.02 -2.29 120.40 125.20 2ksq s VAL 88 Ca -0.06 -0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 58.67 2ksq s VAL 88 Cb -0.10 -3.05 -0.00 0.00 -1.53 0.00 0.00 36.38 31.70 2ksq s VAL 88 CO -0.18 0.44 0.58 -0.63 -3.33 0.00 0.00 175.10 171.98 2ksq s ILE 89 N 0.65 4.95 -0.09 7.04 1.01 0.30 -1.23 121.20 133.84 2ksq s ILE 89 Ca 0.02 0.50 -0.21 0.00 0.00 0.00 0.00 60.65 60.96 2ksq s ILE 89 Cb -0.13 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2ksq s ILE 89 CO 0.02 -0.26 0.60 0.12 0.00 0.00 0.00 174.94 175.42 2ksq s PHE 90 N 2.57 3.55 -0.22 3.97 5.36 0.30 -2.58 117.98 130.93 2ksq s PHE 90 Ca 0.22 1.09 -0.15 0.00 -0.96 0.00 0.00 56.93 57.13 2ksq s PHE 90 Cb -0.15 -2.69 -0.04 0.00 -0.34 0.00 0.00 43.02 39.81 2ksq s PHE 90 CO 0.14 0.13 0.37 0.08 -1.46 0.00 0.00 175.22 174.48 2ksq s VAL 91 N 0.69 5.20 -0.15 3.12 1.01 -0.76 -2.10 120.40 127.41 2ksq s VAL 91 Ca 0.32 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 2ksq s VAL 91 Cb -0.17 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2ksq s VAL 91 CO 0.15 0.23 -0.09 0.68 0.00 0.00 0.00 175.10 176.06 2ksq s VAL 92 N 1.50 1.31 0.21 2.92 -7.23 -1.16 -4.25 120.40 113.70 2ksq s VAL 92 Ca 0.17 -0.59 -0.32 0.00 -1.81 0.00 0.00 61.98 59.43 2ksq s VAL 92 Cb -0.15 -1.34 -0.11 0.00 0.56 0.00 0.00 36.38 35.33 2ksq s VAL 92 CO 0.08 0.31 1.67 -1.81 -0.31 0.00 0.00 175.10 175.03 2ksq s ASP 93 N 1.57 6.43 -0.12 4.85 1.01 -1.26 0.24 116.67 129.39 2ksq s ASP 93 Ca 0.03 2.82 -0.10 0.00 0.71 0.00 0.00 52.55 56.00 2ksq s ASP 93 Cb -0.14 -2.60 -0.26 0.00 1.01 0.00 0.00 42.92 40.93 2ksq s ASP 93 CO -0.09 -0.93 0.39 0.77 0.21 0.00 0.00 175.17 175.53 2ksq h SER 94 N 6.52 0.37 0.10 0.27 4.64 -0.94 -3.36 113.55 121.16 2ksq h SER 94 Ca -0.43 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.01 2ksq h SER 94 Cb 1.20 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2ksq h SER 94 CO 0.92 1.78 -0.01 -3.20 -0.87 0.00 0.00 176.83 175.45 2ksq n ASN 95 N -3.68 0.29 -4.02 4.97 2.85 -1.26 -2.85 115.26 111.57 2ksq n ASN 95 Ca -0.31 -0.94 -0.35 0.00 -0.11 0.00 0.00 54.58 52.87 2ksq n ASN 95 Cb 0.98 -0.04 -0.06 0.00 1.24 0.00 0.00 39.78 41.90 2ksq n ASN 95 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ksq n ASP 96 N -0.84 4.33 0.21 1.20 -0.08 -1.26 -4.86 116.55 115.24 2ksq n ASP 96 Ca 0.21 -3.20 0.06 0.00 -1.51 0.00 0.00 54.79 50.35 2ksq n ASP 96 Cb 0.18 -1.02 0.45 0.00 2.34 0.00 0.00 41.12 43.07 2ksq n ASP 96 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2ksq h ARG 97 N 5.71 0.00 -0.47 -0.67 -0.00 -1.86 -2.77 114.38 114.32 2ksq h ARG 97 Ca 0.17 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 60.21 2ksq h ARG 97 Cb 0.77 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.69 2ksq h ARG 97 CO 0.90 0.31 0.17 0.66 -0.00 0.00 0.00 179.97 182.00 2ksq h SER 98 N 0.00 0.18 0.01 0.08 4.64 -1.97 -2.40 113.55 114.10 2ksq h SER 98 Ca -0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2ksq h SER 98 Cb 0.64 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2ksq h SER 98 CO 0.04 0.14 -0.08 0.54 -0.87 0.00 0.00 176.83 176.59 2ksq n ARG 99 N -5.00 1.72 -0.03 4.77 1.74 -1.19 -4.49 116.66 114.20 2ksq n ARG 99 Ca 0.04 -1.22 0.22 0.00 -0.77 0.00 0.00 57.85 56.12 2ksq n ARG 99 Cb 0.18 -1.47 0.48 0.00 -1.02 0.00 0.00 32.46 30.63 2ksq n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2ksq h ILE 100 N 2.98 0.09 0.03 0.55 6.09 -1.13 0.73 117.51 126.85 2ksq h ILE 100 Ca 0.00 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.21 2ksq h ILE 100 Cb 0.69 0.21 -0.03 0.00 0.47 0.00 0.00 36.82 38.16 2ksq h ILE 100 CO 0.00 0.00 -1.53 1.23 -3.07 0.00 0.00 178.15 174.78 2ksq h GLY 101 N 0.00 0.08 1.40 8.18 0.00 -1.79 -3.03 103.07 107.91 2ksq h GLY 101 Ca 0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2ksq h GLY 101 CO -0.00 0.19 0.29 -2.09 0.00 0.00 0.00 176.54 174.92 2ksq h GLU 102 N 0.02 0.79 -0.10 4.80 4.57 0.15 0.26 114.58 125.07 2ksq h GLU 102 Ca -0.23 -0.09 -0.23 0.00 -1.18 0.00 0.00 59.36 57.63 2ksq h GLU 102 Cb 1.96 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 30.41 2ksq h GLU 102 CO 0.11 0.60 -0.83 0.00 -1.18 0.00 0.00 179.01 177.71 2ksq h ALA 103 N 1.52 0.24 0.01 2.92 0.00 -1.58 -2.56 119.26 119.82 2ksq h ALA 103 Ca 0.20 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ksq h ALA 103 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ksq h ALA 103 CO -0.03 0.66 -0.01 -0.09 0.00 0.00 0.00 179.25 179.78 2ksq h ARG 104 N 0.46 -0.02 -0.69 0.00 1.12 -1.29 -2.25 114.38 111.72 2ksq h ARG 104 Ca -0.07 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.77 2ksq h ARG 104 Cb 1.47 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.41 2ksq h ARG 104 CO 0.17 0.26 0.30 0.93 -3.11 0.00 0.00 179.97 178.53 2ksq h GLU 105 N -0.30 1.00 -0.25 0.20 5.08 -0.59 -2.48 114.58 117.23 2ksq h GLU 105 Ca -0.00 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 2ksq h GLU 105 Cb 0.29 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2ksq h GLU 105 CO 0.00 0.79 -0.29 -0.39 -1.00 0.00 0.00 179.01 178.12 2ksq h VAL 106 N 0.99 1.28 0.05 3.13 -1.51 -1.43 -2.92 116.25 115.82 2ksq h VAL 106 Ca 0.24 -1.35 -0.00 0.00 -1.23 0.00 0.00 66.70 64.35 2ksq h VAL 106 Cb 0.14 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2ksq h VAL 106 CO -0.03 0.43 -0.02 -0.03 -1.23 0.00 0.00 177.57 176.69 2ksq h MET 107 N 0.45 -0.06 -0.98 5.19 -1.53 -0.97 -2.40 114.93 114.62 2ksq h MET 107 Ca 0.06 0.00 0.16 0.00 -3.44 0.00 0.00 59.70 56.48 2ksq h MET 107 Cb 0.73 0.01 -0.09 0.00 -0.55 0.00 0.00 31.60 31.71 2ksq h MET 107 CO 0.06 0.05 0.61 0.37 0.14 0.00 0.00 176.91 178.14 2ksq h GLN 108 N -0.16 0.79 -0.78 0.39 4.15 -1.37 0.44 115.11 118.58 2ksq h GLN 108 Ca -0.01 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 2ksq h GLN 108 Cb 0.14 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 2ksq h GLN 108 CO 0.01 0.53 0.29 -0.09 -1.93 0.00 0.00 178.83 177.63 2ksq h ARG 109 N 0.82 1.18 -0.22 1.69 9.65 -1.30 0.64 114.38 126.84 2ksq h ARG 109 Ca 0.52 -0.23 -0.10 0.00 -1.10 0.00 0.00 59.98 59.08 2ksq h ARG 109 Cb 0.74 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 2ksq h ARG 109 CO -0.30 0.97 -0.23 0.52 2.80 0.00 0.00 179.97 183.73 2ksq h MET 110 N 1.14 0.55 0.00 0.20 2.86 -0.33 -2.92 114.93 116.43 2ksq h MET 110 Ca 0.26 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2ksq h MET 110 Cb 0.25 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2ksq h MET 110 CO -0.02 0.88 -0.04 1.25 1.06 0.00 0.00 176.91 180.04 2ksq h LEU 111 N 0.23 0.00 -0.43 1.22 6.46 0.02 -2.90 115.31 119.91 2ksq h LEU 111 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2ksq h LEU 111 Cb 0.79 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 2ksq h LEU 111 CO 0.06 0.04 -0.19 0.59 -0.62 0.00 0.00 178.44 178.32 2ksq n ASN 112 N -3.13 0.86 -4.72 1.25 5.03 0.22 -4.81 115.26 109.96 2ksq n ASN 112 Ca 0.02 -0.83 -0.41 0.00 0.87 0.00 0.00 54.58 54.23 2ksq n ASN 112 Cb 0.40 0.05 -0.04 0.00 -1.02 0.00 0.00 39.78 39.18 2ksq n ASN 112 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2ksq s GLU 113 N -2.45 4.54 0.40 3.52 2.12 -1.10 -4.94 118.70 120.79 2ksq s GLU 113 Ca 0.27 1.24 0.12 0.00 0.36 0.00 0.00 54.97 56.95 2ksq s GLU 113 Cb 0.20 -3.43 0.82 0.00 0.26 0.00 0.00 34.13 31.97 2ksq s GLU 113 CO 0.49 0.07 1.90 0.38 -0.54 0.00 0.00 175.26 177.56 2ksq h ASP 114 N 6.44 0.10 0.53 -1.70 3.04 -1.89 -1.70 116.42 121.24 2ksq h ASP 114 Ca -0.42 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 2ksq h ASP 114 Cb 1.21 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 2ksq h ASP 114 CO 0.74 0.33 0.00 -0.62 -2.04 0.00 0.00 179.24 177.65 2ksq n GLU 115 N -4.23 0.02 -0.54 4.15 1.02 -1.26 -2.91 120.64 116.88 2ksq n GLU 115 Ca -0.02 0.26 0.05 0.00 -0.02 0.00 0.00 57.16 57.43 2ksq n GLU 115 Cb 0.31 -1.53 0.08 0.00 -0.02 0.00 0.00 31.44 30.28 2ksq n GLU 115 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2ksq n LEU 116 N -1.56 1.36 0.00 -4.62 7.94 -0.67 -4.77 117.00 114.67 2ksq n LEU 116 Ca 0.03 -2.31 0.12 0.00 -1.11 0.00 0.00 56.01 52.74 2ksq n LEU 116 Cb 0.18 -0.22 0.64 0.00 0.53 0.00 0.00 43.42 44.54 2ksq n LEU 116 CO 0.14 0.62 0.88 0.00 -1.11 0.00 0.00 177.39 177.93 2ksq n ASN 118 N -1.16 1.68 -4.89 0.00 0.23 -1.26 -5.02 115.26 104.84 2ksq n ASN 118 Ca 0.14 -1.35 -0.32 0.00 -0.53 0.00 0.00 54.58 52.52 2ksq n ASN 118 Cb 0.14 -0.01 -0.05 0.00 -2.08 0.00 0.00 39.78 37.78 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 -0.65 3.79 0.98 -2.53 0.00 -1.11 -4.92 121.76 117.32 2ksq s ALA 119 Ca 0.09 -0.54 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 2ksq s ALA 119 Cb 0.06 -2.14 0.19 0.00 0.00 0.00 0.00 23.12 21.23 2ksq s ALA 119 CO 0.10 0.65 1.20 0.00 0.00 0.00 0.00 175.76 177.71 2ksq s ALA 120 N -1.58 1.78 -0.40 0.00 0.00 -1.14 -4.85 121.76 115.58 2ksq s ALA 120 Ca 0.38 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.51 2ksq s ALA 120 Cb -0.13 -2.90 0.16 0.00 0.00 0.00 0.00 23.12 20.26 2ksq s ALA 120 CO 0.23 -2.55 0.37 -1.58 0.00 0.00 0.00 175.76 172.23 2ksq s TRP 121 N -3.47 0.33 -0.38 0.00 0.51 -0.99 -2.45 118.94 112.50 2ksq s TRP 121 Ca 0.69 -1.61 -0.20 0.00 -2.12 0.00 0.00 56.10 52.86 2ksq s TRP 121 Cb -0.09 -0.63 0.01 0.00 -0.81 0.00 0.00 33.47 31.94 2ksq s TRP 121 CO 0.53 -0.92 0.60 -1.17 -0.51 0.00 0.00 176.95 175.48 2ksq s LEU 122 N 0.68 4.35 -0.10 2.99 0.20 -0.36 -2.91 118.68 123.54 2ksq s LEU 122 Ca 0.26 -0.03 -0.09 0.00 0.69 0.00 0.00 54.13 54.96 2ksq s LEU 122 Cb -0.06 -2.71 -0.04 0.00 -0.43 0.00 0.00 46.19 42.94 2ksq s LEU 122 CO -0.10 -0.61 0.20 0.68 -0.29 0.00 0.00 176.35 176.23 2ksq s VAL 123 N 2.64 5.40 -0.17 1.68 -7.23 0.12 0.11 120.40 122.96 2ksq s VAL 123 Ca 0.22 0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 60.72 2ksq s VAL 123 Cb -0.15 -3.47 0.05 0.00 0.56 0.00 0.00 36.38 33.37 2ksq s VAL 123 CO 0.15 0.60 0.02 -0.36 -0.31 0.00 0.00 175.10 175.21 2ksq s PHE 124 N -0.98 1.00 -0.38 2.82 0.08 -0.89 -2.31 117.98 117.32 2ksq s PHE 124 Ca 0.17 -0.75 -0.27 0.00 0.12 0.00 0.00 56.93 56.20 2ksq s PHE 124 Cb -0.13 -1.00 -0.06 0.00 -0.57 0.00 0.00 43.02 41.25 2ksq s PHE 124 CO 0.06 -0.56 2.34 0.00 -0.10 0.00 0.00 175.22 176.96 2ksq n ALA 125 N 5.06 1.21 -1.57 5.36 0.00 -0.98 -2.99 120.51 126.59 2ksq n ALA 125 Ca -0.09 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.40 2ksq n ALA 125 Cb 0.48 -3.09 0.09 0.00 0.00 0.00 0.00 19.45 16.93 2ksq n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ksq s ASN 126 N 10.63 4.43 -1.91 0.00 3.84 0.14 -2.62 114.94 129.45 2ksq s ASN 126 Ca 0.99 1.25 0.00 0.00 0.21 0.00 0.00 52.86 55.31 2ksq s ASN 126 Cb -0.24 -1.97 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 2ksq s ASN 126 CO 0.30 -2.00 0.00 0.29 -2.79 0.00 0.00 177.10 172.90 2ksq n LYS 127 N -3.45 -1.42 0.25 0.43 5.02 -1.26 -0.30 118.16 117.44 2ksq n LYS 127 Ca 0.07 1.09 0.12 0.00 -2.02 0.00 0.00 58.31 57.58 2ksq n LYS 127 Cb 0.57 -5.51 0.76 0.00 -0.02 0.00 0.00 35.03 30.83 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 -1.59 -0.72 115.11 120.52 2ksq h GLN 128 Ca -0.42 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 2ksq h GLN 128 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2ksq h GLN 128 CO 0.57 0.00 0.00 0.38 -2.65 0.00 0.00 178.83 177.13 2ksq h ASP 129 N 0.00 0.00 -3.44 -0.69 3.04 -1.89 -3.41 116.42 110.03 2ksq h ASP 129 Ca 0.03 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.29 2ksq h ASP 129 Cb 0.13 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 38.46 2ksq h ASP 129 CO -0.00 0.00 0.67 -0.76 -2.04 0.00 0.00 179.24 177.11 2ksq s LEU 130 N -5.46 4.41 0.56 0.15 2.01 -0.28 -4.89 118.68 115.20 2ksq s LEU 130 Ca -0.00 2.48 0.32 0.00 0.01 0.00 0.00 54.13 56.94 2ksq s LEU 130 Cb 0.10 -3.62 1.47 0.00 0.01 0.00 0.00 46.19 44.15 2ksq s LEU 130 CO 0.41 -0.55 1.82 -0.65 1.01 0.00 0.00 176.35 178.38 2ksq h PRO 131 N 5.07 0.00 -0.66 1.29 0.11 -1.89 0.50 132.00 136.43 2ksq h PRO 131 Ca -0.45 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 2ksq h PRO 131 Cb 1.22 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.17 2ksq h PRO 131 CO 0.76 0.00 0.26 -1.91 -0.21 0.00 0.00 178.00 176.90 2ksq n GLU 132 N -4.01 2.80 -1.73 1.05 2.13 -1.26 -5.01 120.64 114.61 2ksq n GLU 132 Ca 0.18 -3.07 -0.42 0.00 0.66 0.00 0.00 57.16 54.52 2ksq n GLU 132 Cb 1.02 -2.07 -0.02 0.00 0.27 0.00 0.00 31.44 30.64 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ksq n ALA 133 N -0.69 2.73 -1.77 4.31 0.00 0.18 -4.52 120.51 120.75 2ksq n ALA 133 Ca 0.42 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.84 2ksq n ALA 133 Cb 1.32 -2.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 2ksq n ALA 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2ksq s MET 134 N 0.44 4.18 0.72 0.00 -1.94 -1.13 -4.91 119.30 116.66 2ksq s MET 134 Ca 0.70 2.24 -0.11 0.00 -1.71 0.00 0.00 55.69 56.81 2ksq s MET 134 Cb -0.50 -2.94 0.03 0.00 2.01 0.00 0.00 34.83 33.43 2ksq s MET 134 CO 0.39 -0.35 1.07 -1.12 -0.01 0.00 0.00 175.02 175.01 2ksq s SER 135 N -0.54 5.14 0.40 3.03 0.01 -1.26 -4.91 113.70 115.57 2ksq s SER 135 Ca 0.52 1.49 0.13 0.00 1.31 0.00 0.00 55.95 59.41 2ksq s SER 135 Cb -0.40 -2.33 0.82 0.00 0.21 0.00 0.00 66.02 64.33 2ksq s SER 135 CO 0.53 -1.58 1.88 0.00 0.41 0.00 0.00 173.24 174.48 2ksq h ALA 136 N -0.81 1.49 -0.28 1.44 0.00 -1.98 -2.68 119.26 116.44 2ksq h ALA 136 Ca -0.45 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 2ksq h ALA 136 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2ksq h ALA 136 CO 0.58 0.38 -0.34 0.00 0.00 0.00 0.00 179.25 179.87 2ksq h ALA 137 N 1.70 0.87 0.00 0.00 0.00 -1.99 -2.14 119.26 117.69 2ksq h ALA 137 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2ksq h ALA 137 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ksq h ALA 137 CO 0.04 0.63 -0.11 0.93 0.00 0.00 0.00 179.25 180.74 2ksq h GLU 138 N 0.52 0.07 -0.72 0.00 4.39 -1.89 -2.47 114.58 114.49 2ksq h GLU 138 Ca 0.06 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2ksq h GLU 138 Cb 0.84 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.48 2ksq h GLU 138 CO 0.07 0.87 0.42 0.82 -1.16 0.00 0.00 179.01 180.03 2ksq h ILE 139 N -0.69 1.21 -0.03 3.13 2.04 -1.56 -1.58 117.51 120.02 2ksq h ILE 139 Ca -0.02 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2ksq h ILE 139 Cb 0.91 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2ksq h ILE 139 CO 0.02 0.22 -0.02 0.71 0.00 0.00 0.00 178.15 179.08 2ksq h THR 140 N 1.00 1.34 0.44 -0.27 1.35 -1.47 -2.65 112.91 112.65 2ksq h THR 140 Ca 0.26 -1.06 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 2ksq h THR 140 Cb -0.02 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 2ksq h THR 140 CO -0.05 0.28 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.90 2ksq h GLU 141 N -0.34 -0.66 -0.63 4.72 5.08 -1.24 -2.06 114.58 119.45 2ksq h GLU 141 Ca 0.01 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2ksq h GLU 141 Cb 0.47 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2ksq h GLU 141 CO 0.01 -0.44 0.42 -0.22 -1.00 0.00 0.00 179.01 177.78 2ksq h LYS 142 N -0.69 0.43 0.00 2.33 1.63 -1.39 0.14 116.57 119.03 2ksq h LYS 142 Ca -0.05 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2ksq h LYS 142 Cb 0.56 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2ksq h LYS 142 CO 0.05 0.28 0.00 1.28 -3.45 0.00 0.00 179.45 177.61 2ksq n LEU 143 N -4.47 0.00 -2.86 5.20 4.77 -1.00 -4.88 117.00 113.76 2ksq n LEU 143 Ca 0.11 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 2ksq n LEU 143 Cb 0.38 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2ksq n LEU 143 CO 0.34 0.00 -0.07 0.61 -1.33 0.00 0.00 177.39 176.93 2ksq n GLY 144 N 0.85 -0.52 0.32 -0.72 0.00 0.48 -4.89 105.19 100.71 2ksq n GLY 144 Ca 0.21 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.03 1.03 -2.69 0.99 -0.00 -1.57 -2.70 115.31 109.34 2ksq h LEU 145 Ca -0.53 -0.25 -0.00 0.00 -0.00 0.00 0.00 57.88 57.11 2ksq h LEU 145 Cb 1.37 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2ksq h LEU 145 CO 0.58 1.03 -0.00 0.45 -0.00 0.00 0.00 178.44 180.49 2ksq h HIS 146 N 1.01 0.00 -0.38 1.13 3.86 -1.90 -0.72 115.15 118.15 2ksq h HIS 146 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2ksq h HIS 146 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 2ksq h HIS 146 CO 0.03 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.25 2ksq n SER 147 N -3.50 3.18 -4.30 2.45 7.64 -1.02 -4.84 113.62 113.24 2ksq n SER 147 Ca -0.03 -1.95 -0.40 0.00 1.01 0.00 0.00 58.87 57.50 2ksq n SER 147 Cb 0.08 -0.24 -0.11 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.52 4.21 -0.11 0.44 1.01 -0.28 -4.89 121.20 120.05 2ksq s ILE 148 Ca 0.38 -1.15 0.17 0.00 0.00 0.00 0.00 60.65 60.05 2ksq s ILE 148 Cb 0.22 -3.45 0.40 0.00 0.01 0.00 0.00 42.46 39.64 2ksq s ILE 148 CO 0.31 -0.33 1.19 0.54 0.00 0.00 0.00 174.94 176.65 2ksq n ARG 149 N 4.91 0.88 0.00 2.79 5.12 -1.26 -4.71 116.66 124.39 2ksq n ARG 149 Ca -0.11 -2.67 0.04 0.00 -1.93 0.00 0.00 57.85 53.18 2ksq n ARG 149 Cb 0.44 -0.93 -0.01 0.00 -1.16 0.00 0.00 32.46 30.81 2ksq n ARG 149 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ksq n ASN 150 N -0.45 1.06 -3.71 0.55 3.02 -1.26 -5.00 115.26 109.47 2ksq n ASN 150 Ca 0.13 -1.03 -0.12 0.00 -0.03 0.00 0.00 54.58 53.53 2ksq n ASN 150 Cb 0.87 0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 40.46 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2ksq s ARG 151 N -1.31 0.46 -0.26 3.52 3.00 -1.26 -5.10 118.95 118.00 2ksq s ARG 151 Ca 0.07 0.71 -0.29 0.00 0.00 0.00 0.00 55.73 56.23 2ksq s ARG 151 Cb 0.07 0.12 -0.03 0.00 0.00 0.00 0.00 34.95 35.11 2ksq s ARG 151 CO 0.24 -0.11 1.85 -1.25 0.00 0.00 0.00 175.30 176.02 2ksq s PRO 152 N 0.83 3.45 0.11 3.54 0.04 -1.26 -4.94 135.00 136.76 2ksq s PRO 152 Ca -0.05 1.66 0.06 0.00 0.04 0.00 0.00 61.00 62.71 2ksq s PRO 152 Cb -0.06 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 2ksq s PRO 152 CO -0.06 -1.72 -0.15 1.67 0.04 0.00 0.00 177.00 176.77 2ksq s TRP 153 N 6.63 1.43 -0.00 0.56 1.48 -1.26 -2.35 118.94 125.44 2ksq s TRP 153 Ca 0.82 -0.50 -0.01 0.00 -1.06 0.00 0.00 56.10 55.35 2ksq s TRP 153 Cb -0.26 -0.77 -0.00 0.00 -1.16 0.00 0.00 33.47 31.28 2ksq s TRP 153 CO 0.33 0.14 0.02 -0.06 -4.06 0.00 0.00 176.95 173.33 2ksq s PHE 154 N -1.70 0.05 -0.17 1.66 0.08 -1.15 -4.99 117.98 111.76 2ksq s PHE 154 Ca 0.05 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.00 2ksq s PHE 154 Cb -0.07 -0.05 0.01 0.00 -0.57 0.00 0.00 43.02 42.34 2ksq s PHE 154 CO 0.03 -0.09 -0.18 -1.50 -0.10 0.00 0.00 175.22 173.39 2ksq s ILE 155 N -0.53 2.31 -0.01 0.64 2.07 -1.25 0.16 121.20 124.60 2ksq s ILE 155 Ca -0.06 -0.87 0.03 0.00 -1.41 0.00 0.00 60.65 58.34 2ksq s ILE 155 Cb -0.04 -1.98 -0.01 0.00 0.13 0.00 0.00 42.46 40.57 2ksq s ILE 155 CO -0.00 0.52 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.88 2ksq s GLN 156 N 1.17 0.73 -0.14 3.50 2.00 -0.98 -5.03 119.66 120.91 2ksq s GLN 156 Ca 0.02 -0.32 -0.29 0.00 -2.00 0.00 0.00 55.36 52.76 2ksq s GLN 156 Cb -0.14 -0.71 -0.03 0.00 0.80 0.00 0.00 33.01 32.93 2ksq s GLN 156 CO -0.08 0.19 1.51 0.00 -0.50 0.00 0.00 175.29 176.41 2ksq s ALA 157 N -0.21 3.53 -0.05 1.58 0.00 -1.26 -2.31 121.76 123.05 2ksq s ALA 157 Ca 0.03 0.64 0.06 0.00 0.00 0.00 0.00 51.96 52.69 2ksq s ALA 157 Cb -0.04 -3.74 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 2ksq s ALA 157 CO -0.00 -1.48 -0.24 0.99 0.00 0.00 0.00 175.76 175.02 2ksq s THR 158 N 4.18 1.94 -0.31 0.00 2.01 -1.08 -4.69 115.64 117.69 2ksq s THR 158 Ca 0.66 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2ksq s THR 158 Cb -0.27 -1.63 0.09 0.00 0.01 0.00 0.00 72.50 70.70 2ksq s THR 158 CO 0.25 0.54 0.06 0.00 -0.69 0.00 0.00 174.62 174.77 2ksq h ALA 160 N 7.87 0.76 -0.96 0.00 0.00 -1.93 0.84 119.26 125.84 2ksq h ALA 160 Ca -0.10 -0.54 0.20 0.00 0.00 0.00 0.00 54.91 54.47 2ksq h ALA 160 Cb 1.03 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2ksq h ALA 160 CO 0.48 0.72 0.61 0.00 0.00 0.00 0.00 179.25 181.07 2ksq h THR 161 N 0.27 0.68 0.00 0.00 1.03 -1.95 -3.04 112.91 109.90 2ksq h THR 161 Ca -0.01 -0.19 -0.23 0.00 -0.01 0.00 0.00 66.41 65.97 2ksq h THR 161 Cb 1.14 0.09 -0.04 0.00 -1.07 0.00 0.00 68.15 68.27 2ksq h THR 161 CO 0.10 0.10 -1.89 -1.20 -0.01 0.00 0.00 175.52 172.62 2ksq n SER 162 N -4.60 2.59 0.00 0.00 7.64 -1.19 -4.74 113.62 113.31 2ksq n SER 162 Ca 0.21 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2ksq n SER 162 Cb 0.67 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 2.63 0.86 3.76 0.23 0.00 0.29 -4.98 105.19 107.98 2ksq n GLY 163 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2ksq n GLY 163 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ksq s GLU 164 N -0.98 4.47 0.00 1.61 4.04 -1.12 -2.92 118.70 123.79 2ksq s GLU 164 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 54.97 57.05 2ksq s GLU 164 Cb 0.00 -3.14 0.00 0.00 0.02 0.00 0.00 34.13 31.01 2ksq s GLU 164 CO 0.00 -0.05 0.00 0.41 -1.84 0.00 0.00 175.26 173.78 2ksq n GLY 165 N 1.21 2.84 0.27 -3.83 0.00 -1.26 -3.21 105.19 101.22 2ksq n GLY 165 Ca 0.01 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 0.90 -0.48 0.99 4.07 -1.85 -2.83 115.31 116.11 2ksq h LEU 166 Ca 0.00 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.65 2ksq h LEU 166 Cb 0.00 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 2ksq h LEU 166 CO 0.00 0.97 0.24 1.88 -1.08 0.00 0.00 178.44 180.45 2ksq h TYR 167 N 0.81 0.69 -0.90 1.13 -1.99 -1.90 -2.67 116.97 112.14 2ksq h TYR 167 Ca 0.16 -0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.92 2ksq h TYR 167 Cb 0.49 -0.21 -0.06 0.00 2.00 0.00 0.00 36.73 38.95 2ksq h TYR 167 CO 0.04 0.54 0.59 1.49 -0.00 0.00 0.00 178.16 180.81 2ksq h GLU 168 N 0.64 0.99 -0.63 4.88 4.57 -1.93 -2.28 114.58 120.82 2ksq h GLU 168 Ca 0.17 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2ksq h GLU 168 Cb 0.11 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 2ksq h GLU 168 CO -0.02 0.66 0.42 0.78 -1.18 0.00 0.00 179.01 179.66 2ksq h GLY 169 N 1.02 0.89 2.00 1.92 0.00 -1.23 -1.39 103.07 106.28 2ksq h GLY 169 Ca 0.39 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 2ksq h GLY 169 CO -0.14 0.32 -0.31 -2.00 0.00 0.00 0.00 176.54 174.41 2ksq h LEU 170 N 0.85 0.00 -0.33 3.11 5.85 -1.32 -2.51 115.31 120.95 2ksq h LEU 170 Ca 0.23 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.76 2ksq h LEU 170 Cb -0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2ksq h LEU 170 CO -0.05 0.31 -0.67 -0.08 -0.34 0.00 0.00 178.44 177.61 2ksq h GLU 171 N 0.00 0.65 -0.47 1.25 4.81 -0.93 -2.27 114.58 117.63 2ksq h GLU 171 Ca -0.00 -0.48 -0.14 0.00 -0.13 0.00 0.00 59.36 58.61 2ksq h GLU 171 Cb 0.55 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2ksq h GLU 171 CO 0.04 1.10 -0.24 -1.49 -0.73 0.00 0.00 179.01 177.69 2ksq h TRP 172 N 0.47 1.14 0.27 0.92 -0.00 -1.02 -2.58 115.95 115.14 2ksq h TRP 172 Ca -0.02 -0.28 -0.01 0.00 -0.00 0.00 0.00 58.89 58.57 2ksq h TRP 172 Cb 1.26 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 30.16 2ksq h TRP 172 CO 0.06 1.11 -0.13 1.25 -0.00 0.00 0.00 178.44 180.74 2ksq h LEU 173 N 0.84 -0.31 -1.86 -4.49 5.85 -1.47 -2.68 115.31 111.19 2ksq h LEU 173 Ca 0.10 -0.21 0.15 0.00 0.84 0.00 0.00 57.88 58.77 2ksq h LEU 173 Cb 0.82 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 2ksq h LEU 173 CO 0.07 0.08 0.43 0.28 -0.34 0.00 0.00 178.44 178.96 2ksq h SER 174 N -0.74 0.13 0.51 1.25 0.02 -1.46 -0.08 113.55 113.17 2ksq h SER 174 Ca -0.04 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 2ksq h SER 174 Cb 0.50 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2ksq h SER 174 CO 0.06 0.07 -0.75 -1.13 -1.14 0.00 0.00 176.83 173.94 2ksq h ASN 175 N 0.14 0.24 0.59 3.07 -0.73 -1.40 -2.69 115.58 114.79 2ksq h ASN 175 Ca 0.29 -0.17 -0.07 0.00 1.87 0.00 0.00 56.30 58.23 2ksq h ASN 175 Cb 0.97 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.48 2ksq h ASN 175 CO -0.04 0.90 -0.34 0.00 -0.37 0.00 0.00 177.43 177.58 2ksq n LEU 177 N -3.75 1.59 -2.61 0.00 7.99 -1.12 -4.87 117.00 114.23 2ksq n LEU 177 Ca -0.01 0.54 -0.08 0.00 -0.01 0.00 0.00 56.01 56.45 2ksq n LEU 177 Cb 0.43 -0.81 -0.01 0.00 -0.11 0.00 0.00 43.42 42.93 2ksq n LEU 177 CO 0.36 -0.45 -0.07 0.29 -1.51 0.00 0.00 177.39 176.01 2ksq n LYS 178 N -4.29 -2.64 -0.67 3.23 4.76 -1.02 0.13 118.16 117.65 2ksq n LYS 178 Ca -0.07 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2ksq n LYS 178 Cb 0.26 -4.84 0.00 0.00 -1.84 0.00 0.00 35.03 28.61 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 -1.72 0.00 -1.44 4.39 4.13 -1.26 -4.84 115.26 114.53 2ksq n ASN 179 Ca -0.06 0.00 0.19 0.00 1.68 0.00 0.00 54.58 56.40 2ksq n ASN 179 Cb 0.55 -1.06 -0.05 0.00 -1.54 0.00 0.00 39.78 37.67 2ksq n ASN 179 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2ksq n SER 180 N 0.00 -8.55 0.00 6.41 2.88 0.34 -5.20 113.62 109.49 2ksq n SER 180 Ca 0.00 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2ksq n SER 180 Cb 0.00 -4.39 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 2ksq n SER 180 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22