#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 0.13 -0.29 0.99 4.07 -2.06 -2.58 115.31 115.57 2ksq h LEU 3 Ca 0.00 -0.48 -0.07 0.00 0.08 0.00 0.00 57.88 57.41 2ksq h LEU 3 Cb 0.00 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2ksq h LEU 3 CO 0.00 0.58 -0.07 0.15 -1.08 0.00 0.00 178.44 178.02 2ksq h PHE 4 N -0.32 0.64 0.38 1.13 3.04 -2.06 -2.97 116.94 116.77 2ksq h PHE 4 Ca 0.01 -0.14 -0.00 0.00 3.98 0.00 0.00 57.97 61.82 2ksq h PHE 4 Cb 0.55 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 2ksq h PHE 4 CO 0.09 0.76 -0.44 0.00 -2.02 0.00 0.00 178.31 176.70 2ksq h ALA 5 N 0.78 -0.94 -0.57 2.41 0.00 -2.01 -1.49 119.26 117.45 2ksq h ALA 5 Ca 0.07 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.00 2ksq h ALA 5 Cb 0.56 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2ksq h ALA 5 CO 0.03 -1.07 0.47 1.03 0.00 0.00 0.00 179.25 179.70 2ksq h SER 6 N -0.85 0.00 0.03 0.00 0.87 -1.52 -0.96 113.55 111.12 2ksq h SER 6 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2ksq h SER 6 Cb 0.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2ksq h SER 6 CO -0.10 0.00 -0.01 0.11 -0.53 0.00 0.00 176.83 176.29 2ksq h LYS 7 N 0.00 -0.04 -0.39 2.24 1.57 -1.17 -2.58 116.57 116.21 2ksq h LYS 7 Ca 0.27 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.16 2ksq h LYS 7 Cb 1.20 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2ksq h LYS 7 CO -0.00 0.55 0.29 -0.07 -0.57 0.00 0.00 179.45 179.65 2ksq h LEU 8 N -0.65 0.00 -0.27 2.94 4.07 -0.23 0.12 115.31 121.28 2ksq h LEU 8 Ca -0.00 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.76 2ksq h LEU 8 Cb 0.60 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 2ksq h LEU 8 CO 0.01 0.00 -0.88 0.15 -1.08 0.00 0.00 178.44 176.63 2ksq h PHE 9 N 0.00 0.16 -0.07 1.13 3.57 -1.32 -3.25 116.94 117.16 2ksq h PHE 9 Ca 0.18 -0.09 -0.18 0.00 3.53 0.00 0.00 57.97 61.41 2ksq h PHE 9 Cb 0.77 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2ksq h PHE 9 CO 0.00 0.93 -0.74 0.77 -2.23 0.00 0.00 178.31 177.04 2ksq h SER 10 N 0.05 0.44 0.57 0.41 0.02 -0.39 -3.08 113.55 111.57 2ksq h SER 10 Ca -0.03 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 2ksq h SER 10 Cb 1.53 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.93 2ksq h SER 10 CO 0.13 1.04 -0.13 0.78 -1.14 0.00 0.00 176.83 177.50 2ksq h ASN 11 N 0.25 0.00 -0.52 3.07 2.35 -1.36 -2.75 115.58 116.61 2ksq h ASN 11 Ca -0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2ksq h ASN 11 Cb 1.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.66 2ksq h ASN 11 CO 0.12 0.13 0.28 0.25 -1.65 0.00 0.00 177.43 176.56 2ksq h LEU 12 N 0.00 0.69 -0.31 1.61 5.85 -1.57 -1.56 115.31 120.02 2ksq h LEU 12 Ca -0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2ksq h LEU 12 Cb 0.45 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2ksq h LEU 12 CO 0.02 0.58 0.00 -0.26 -0.34 0.00 0.00 178.44 178.43 2ksq h PHE 13 N 0.77 0.00 -0.06 1.25 -1.00 -1.63 -3.22 116.94 113.05 2ksq h PHE 13 Ca 0.19 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.99 2ksq h PHE 13 Cb 0.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 2ksq h PHE 13 CO 0.01 0.00 0.05 0.78 -1.61 0.00 0.00 178.31 177.53 2ksq h GLY 14 N 3.64 0.00 -3.14 -1.45 0.00 -1.31 -3.43 103.07 97.38 2ksq h GLY 14 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2ksq h GLY 14 CO 0.00 0.00 -0.41 -1.31 0.00 0.00 0.00 176.54 174.82 2ksq s ASN 15 N -6.66 0.16 0.00 0.19 0.02 -1.22 -5.06 114.94 102.38 2ksq s ASN 15 Ca -0.05 -0.71 0.00 0.00 -1.02 0.00 0.00 52.86 51.08 2ksq s ASN 15 Cb 0.17 0.33 0.00 0.00 0.02 0.00 0.00 41.25 41.76 2ksq s ASN 15 CO 0.63 -0.72 0.00 1.17 0.02 0.00 0.00 177.10 178.20 2ksq n LYS 16 N -0.05 0.00 -3.83 -0.60 4.81 -1.26 -4.87 118.16 112.36 2ksq n LYS 16 Ca -0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.19 2ksq n LYS 16 Cb 0.62 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.59 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2ksq s GLU 17 N 0.00 0.65 0.05 1.64 2.02 -1.26 -2.92 118.70 118.88 2ksq s GLU 17 Ca 0.00 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 54.56 2ksq s GLU 17 Cb 0.00 0.27 -0.03 0.00 0.10 0.00 0.00 34.13 34.47 2ksq s GLU 17 CO 0.00 -0.18 -0.21 -1.64 0.02 0.00 0.00 175.26 173.25 2ksq s MET 18 N -2.11 1.97 -0.19 1.61 -1.94 -1.04 -4.90 119.30 112.70 2ksq s MET 18 Ca -0.09 -1.03 -0.14 0.00 -1.71 0.00 0.00 55.69 52.72 2ksq s MET 18 Cb -0.03 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 2ksq s MET 18 CO -0.01 0.53 0.30 1.03 -0.01 0.00 0.00 175.02 176.86 2ksq s ARG 19 N -1.40 4.19 0.08 2.03 1.81 -1.26 -2.20 118.95 122.20 2ksq s ARG 19 Ca 0.14 0.06 0.07 0.00 -1.72 0.00 0.00 55.73 54.27 2ksq s ARG 19 Cb -0.10 -3.49 -0.03 0.00 -0.45 0.00 0.00 34.95 30.87 2ksq s ARG 19 CO 0.04 0.09 -0.18 0.42 -0.68 0.00 0.00 175.30 175.00 2ksq s ILE 20 N 0.92 1.43 0.01 1.52 -1.09 0.34 -1.24 121.20 123.07 2ksq s ILE 20 Ca 0.15 -1.40 0.03 0.00 -2.23 0.00 0.00 60.65 57.20 2ksq s ILE 20 Cb -0.14 -1.32 -0.01 0.00 -1.58 0.00 0.00 42.46 39.41 2ksq s ILE 20 CO 0.05 -0.12 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.34 2ksq s LEU 21 N -1.77 2.07 -0.18 2.97 2.96 -1.04 -2.24 118.68 121.44 2ksq s LEU 21 Ca 0.03 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2ksq s LEU 21 Cb -0.10 -0.40 0.04 0.00 0.50 0.00 0.00 46.19 46.23 2ksq s LEU 21 CO 0.03 0.05 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.67 2ksq s MET 22 N -0.48 2.15 0.34 1.98 1.75 0.95 0.11 119.30 126.09 2ksq s MET 22 Ca 0.01 -0.76 -0.04 0.00 -1.25 0.00 0.00 55.69 53.65 2ksq s MET 22 Cb -0.05 -2.33 0.01 0.00 2.84 0.00 0.00 34.83 35.30 2ksq s MET 22 CO -0.00 -0.36 0.49 0.14 -0.65 0.00 0.00 175.02 174.64 2ksq s VAL 23 N 1.42 0.00 0.00 10.11 -7.23 -1.07 -2.46 120.40 121.16 2ksq s VAL 23 Ca 0.01 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2ksq s VAL 23 Cb -0.15 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.17 2ksq s VAL 23 CO -0.09 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 2ksq n GLY 24 N -0.54 0.36 3.88 2.32 0.00 -1.26 -2.71 105.19 107.23 2ksq n GLY 24 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 3.27 0.00 0.99 1.43 -1.26 -3.97 118.68 119.14 2ksq s LEU 25 Ca 0.00 1.33 0.12 0.00 -1.03 0.00 0.00 54.13 54.55 2ksq s LEU 25 Cb 0.00 -4.35 0.65 0.00 0.03 0.00 0.00 46.19 42.52 2ksq s LEU 25 CO 0.00 -0.85 1.43 -0.90 0.23 0.00 0.00 176.35 176.26 2ksq n ASP 26 N -2.69 0.32 0.00 2.29 5.75 -1.26 -3.61 116.55 117.34 2ksq n ASP 26 Ca 0.05 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 2ksq n ASP 26 Cb 0.54 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.75 -0.15 0.13 6.12 0.00 -1.26 -4.86 105.19 105.92 2ksq n GLY 27 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.24 0.00 4.61 0.00 -1.82 -3.46 119.26 118.35 2ksq h ALA 28 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ksq h ALA 28 Cb 0.43 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ksq h ALA 28 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.15 2ksq n GLY 29 N -0.50 0.65 0.21 0.00 0.00 -1.26 -4.61 105.19 99.68 2ksq n GLY 29 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 0.72 -0.42 1.61 6.56 -1.93 -2.98 116.57 120.13 2ksq h LYS 30 Ca 0.00 -0.47 -0.10 0.00 -1.06 0.00 0.00 60.65 59.02 2ksq h LYS 30 Cb 0.00 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.71 2ksq h LYS 30 CO 0.00 1.09 -0.15 1.15 -2.06 0.00 0.00 179.45 179.48 2ksq h THR 31 N 0.44 1.26 0.22 -0.16 2.02 -1.97 -2.15 112.91 112.57 2ksq h THR 31 Ca 0.00 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 2ksq h THR 31 Cb 1.08 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2ksq h THR 31 CO 0.10 0.42 -0.11 0.74 0.37 0.00 0.00 175.52 177.05 2ksq h THR 32 N 0.70 0.79 0.08 3.16 2.02 -1.91 -2.62 112.91 115.13 2ksq h THR 32 Ca 0.11 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 2ksq h THR 32 Cb 0.65 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2ksq h THR 32 CO 0.05 0.01 -0.04 0.58 0.37 0.00 0.00 175.52 176.49 2ksq h VAL 33 N -0.33 1.13 -0.82 3.16 2.07 -1.53 -2.30 116.25 117.63 2ksq h VAL 33 Ca -0.03 -0.81 0.18 0.00 0.82 0.00 0.00 66.70 66.85 2ksq h VAL 33 Cb 0.25 1.65 -0.11 0.00 -1.52 0.00 0.00 31.29 31.57 2ksq h VAL 33 CO 0.05 0.20 0.33 0.25 0.02 0.00 0.00 177.57 178.41 2ksq h LEU 34 N -0.49 0.27 -0.28 2.57 5.85 -1.44 0.61 115.31 122.40 2ksq h LEU 34 Ca -0.01 0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 2ksq h LEU 34 Cb 0.41 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2ksq h LEU 34 CO 0.02 0.04 -0.88 1.88 -0.34 0.00 0.00 178.44 179.16 2ksq h TYR 35 N 0.41 0.18 -0.11 1.25 0.05 -1.50 -2.08 116.97 115.16 2ksq h TYR 35 Ca 0.48 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 59.10 2ksq h TYR 35 Cb 0.83 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 2ksq h TYR 35 CO -0.17 0.93 -0.15 -0.22 -1.05 0.00 0.00 178.16 177.50 2ksq h LYS 36 N 0.06 0.31 0.00 4.88 3.11 -0.54 0.87 116.57 125.26 2ksq h LYS 36 Ca -0.03 -0.18 -0.10 0.00 -2.81 0.00 0.00 60.65 57.53 2ksq h LYS 36 Cb 1.52 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.75 2ksq h LYS 36 CO 0.13 0.74 -0.50 1.25 -2.81 0.00 0.00 179.45 178.26 2ksq h LEU 37 N -0.11 0.00 0.11 5.20 6.46 -1.04 0.91 115.31 126.83 2ksq h LEU 37 Ca 0.01 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.43 2ksq h LEU 37 Cb 0.70 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 2ksq h LEU 37 CO 0.04 0.50 -1.90 0.50 -0.62 0.00 0.00 178.44 176.95 2ksq h LYS 38 N 0.00 0.22 0.00 1.25 3.11 -1.36 -3.39 116.57 116.40 2ksq h LYS 38 Ca -0.00 -0.38 0.00 0.00 -2.81 0.00 0.00 60.65 57.46 2ksq h LYS 38 Cb 1.13 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 2ksq h LYS 38 CO 0.06 1.08 -1.21 -0.11 -2.81 0.00 0.00 179.45 176.46 2ksq n LEU 39 N -3.40 0.41 0.00 5.20 7.94 0.30 -4.99 117.00 122.46 2ksq n LEU 39 Ca -0.28 -0.27 0.00 0.00 -1.11 0.00 0.00 56.01 54.35 2ksq n LEU 39 Cb 1.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.00 2ksq n LEU 39 CO 0.44 0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.44 2ksq n GLY 40 N 1.46 0.90 3.02 -3.96 0.00 0.32 -4.98 105.19 101.96 2ksq n GLY 40 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2ksq n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksq s GLU 41 N -0.15 0.49 -0.07 1.61 -6.30 -1.24 -4.97 118.70 108.06 2ksq s GLU 41 Ca 0.00 -0.55 -0.27 0.00 -2.50 0.00 0.00 54.97 51.65 2ksq s GLU 41 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 34.13 33.76 2ksq s GLU 41 CO 0.00 0.07 0.88 0.08 0.02 0.00 0.00 175.26 176.32 2ksq s VAL 42 N -0.91 4.90 0.41 3.70 1.01 -1.26 -4.02 120.40 124.23 2ksq s VAL 42 Ca -0.05 1.82 0.04 0.00 0.00 0.00 0.00 61.98 63.78 2ksq s VAL 42 Cb -0.07 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 2ksq s VAL 42 CO 0.00 0.13 0.05 0.27 0.00 0.00 0.00 175.10 175.55 2ksq s ILE 43 N 1.35 1.29 -0.21 2.22 -5.25 -1.26 -5.09 121.20 114.24 2ksq s ILE 43 Ca 0.45 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.82 2ksq s ILE 43 Cb -0.19 -2.61 -0.03 0.00 2.95 0.00 0.00 42.46 42.59 2ksq s ILE 43 CO 0.21 0.00 1.62 0.42 -1.79 0.00 0.00 174.94 175.40 2ksq s THR 44 N -3.02 3.69 -0.25 8.37 -4.23 -1.26 -4.93 115.64 114.01 2ksq s THR 44 Ca 0.26 0.78 -0.10 0.00 -1.18 0.00 0.00 61.69 61.45 2ksq s THR 44 Cb 0.06 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 2ksq s THR 44 CO 0.13 -0.28 0.16 0.42 -0.54 0.00 0.00 174.62 174.51 2ksq s THR 45 N 5.14 5.30 0.34 3.99 -4.23 -1.26 -5.08 115.64 119.84 2ksq s THR 45 Ca 0.72 0.16 0.09 0.00 -1.18 0.00 0.00 61.69 61.47 2ksq s THR 45 Cb -0.25 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.05 2ksq s THR 45 CO 0.29 0.33 0.06 0.27 -0.54 0.00 0.00 174.62 175.02 2ksq s ILE 46 N 1.21 2.76 -0.18 2.99 -4.36 -1.26 -5.05 121.20 117.32 2ksq s ILE 46 Ca 0.07 -1.88 -0.31 0.00 -0.26 0.00 0.00 60.65 58.28 2ksq s ILE 46 Cb -0.14 -2.86 -0.08 0.00 1.25 0.00 0.00 42.46 40.63 2ksq s ILE 46 CO 0.06 -0.19 2.12 -2.65 0.24 0.00 0.00 174.94 174.51 2ksq n PRO 47 N -1.02 1.99 -2.88 0.37 -0.02 -1.26 -4.93 135.00 127.26 2ksq n PRO 47 Ca -0.04 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 2ksq n PRO 47 Cb 0.62 -2.95 -0.04 0.00 -0.02 0.00 0.00 33.50 31.11 2ksq n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ksq s THR 48 N 6.74 4.83 -0.35 3.45 2.01 -1.26 -5.02 115.64 126.05 2ksq s THR 48 Ca 0.99 1.61 -0.18 0.00 0.31 0.00 0.00 61.69 64.42 2ksq s THR 48 Cb -0.51 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 67.86 2ksq s THR 48 CO 0.42 -0.06 0.50 -0.51 -0.69 0.00 0.00 174.62 174.28 2ksq s ILE 49 N 2.74 5.03 0.00 1.82 1.10 -1.26 -4.13 121.20 126.50 2ksq s ILE 49 Ca 0.36 0.35 0.00 0.00 -0.51 0.00 0.00 60.65 60.85 2ksq s ILE 49 Cb -0.15 -3.95 0.00 0.00 0.15 0.00 0.00 42.46 38.51 2ksq s ILE 49 CO 0.08 -0.20 0.00 0.61 -2.11 0.00 0.00 174.94 173.32 2ksq n GLY 50 N 4.79 0.96 3.12 1.50 0.00 -1.26 -4.96 105.19 109.35 2ksq n GLY 50 Ca -0.05 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 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 0.69 -0.15 1.61 -0.12 -1.26 -0.16 117.98 118.59 2ksq s PHE 51 Ca 0.00 -0.98 -0.04 0.00 -0.05 0.00 0.00 56.93 55.86 2ksq s PHE 51 Cb 0.00 -0.44 0.07 0.00 -0.63 0.00 0.00 43.02 42.01 2ksq s PHE 51 CO 0.00 -0.26 0.17 1.21 -0.05 0.00 0.00 175.22 176.28 2ksq s ASN 52 N -2.92 1.31 0.23 1.98 2.47 -0.25 -4.90 114.94 112.86 2ksq s ASN 52 Ca 0.08 -0.07 -0.22 0.00 0.42 0.00 0.00 52.86 53.08 2ksq s ASN 52 Cb 0.06 0.21 -0.08 0.00 -1.45 0.00 0.00 41.25 39.99 2ksq s ASN 52 CO -0.07 -0.30 0.77 -0.69 -3.72 0.00 0.00 177.10 173.09 2ksq s VAL 53 N 2.28 4.47 -0.10 -5.21 1.01 -1.26 0.21 120.40 121.80 2ksq s VAL 53 Ca 0.04 1.45 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 2ksq s VAL 53 Cb -0.14 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2ksq s VAL 53 CO -0.09 0.25 -0.00 -0.70 0.00 0.00 0.00 175.10 174.56 2ksq s GLU 54 N -1.85 0.75 -0.45 2.72 2.12 -0.63 -4.95 118.70 116.42 2ksq s GLU 54 Ca 0.43 -0.03 -0.23 0.00 0.36 0.00 0.00 54.97 55.50 2ksq s GLU 54 Cb -0.18 -1.25 0.03 0.00 0.26 0.00 0.00 34.13 32.98 2ksq s GLU 54 CO 0.22 -0.35 0.77 0.00 -0.54 0.00 0.00 175.26 175.36 2ksq s VAL 56 N 3.23 1.88 -0.22 0.00 1.01 -0.26 -5.00 120.40 121.04 2ksq s VAL 56 Ca 0.29 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2ksq s VAL 56 Cb -0.12 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2ksq s VAL 56 CO 0.22 0.52 0.11 -1.58 0.00 0.00 0.00 175.10 174.37 2ksq s GLN 57 N 0.08 3.98 -0.16 2.72 2.00 -1.26 0.11 119.66 127.13 2ksq s GLN 57 Ca -0.09 -0.33 -0.08 0.00 -2.00 0.00 0.00 55.36 52.87 2ksq s GLN 57 Cb -0.15 -3.38 0.06 0.00 0.80 0.00 0.00 33.01 30.35 2ksq s GLN 57 CO 0.05 0.12 0.36 -0.47 -0.50 0.00 0.00 175.29 174.85 2ksq s TYR 58 N 0.84 -0.57 -1.44 1.67 6.14 0.15 -4.90 117.35 119.24 2ksq s TYR 58 Ca 0.06 1.20 -0.11 0.00 0.64 0.00 0.00 57.07 58.86 2ksq s TYR 58 Cb -0.13 0.20 0.05 0.00 0.42 0.00 0.00 41.96 42.49 2ksq s TYR 58 CO 0.02 -0.35 1.08 0.00 0.64 0.00 0.00 175.55 176.95 2ksq n ASN 60 N -2.93 -0.44 -4.80 0.00 2.85 -1.26 -5.00 115.26 103.68 2ksq n ASN 60 Ca 0.02 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.26 2ksq n ASN 60 Cb 0.55 -0.73 -0.05 0.00 1.24 0.00 0.00 39.78 40.79 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2ksq s ILE 61 N -3.04 4.34 -0.56 -1.44 1.01 0.31 -4.91 121.20 116.90 2ksq s ILE 61 Ca 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 60.65 59.19 2ksq s ILE 61 Cb 0.00 -3.32 0.15 0.00 0.01 0.00 0.00 42.46 39.29 2ksq s ILE 61 CO 0.00 -0.31 0.40 -0.55 0.00 0.00 0.00 174.94 174.47 2ksq s SER 62 N -3.71 5.47 -0.23 3.58 0.15 -1.15 0.34 113.70 118.15 2ksq s SER 62 Ca 0.32 -2.47 -0.27 0.00 0.70 0.00 0.00 55.95 54.23 2ksq s SER 62 Cb -0.08 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 2ksq s SER 62 CO 0.24 -0.49 0.96 -0.36 1.20 0.00 0.00 173.24 174.79 2ksq s PHE 63 N 0.50 3.34 -0.29 3.44 0.08 0.30 -2.48 117.98 122.87 2ksq s PHE 63 Ca 0.13 1.34 -0.09 0.00 0.12 0.00 0.00 56.93 58.43 2ksq s PHE 63 Cb -0.21 -3.18 -0.02 0.00 -0.57 0.00 0.00 43.02 39.04 2ksq s PHE 63 CO -0.04 -0.44 0.14 0.95 -0.10 0.00 0.00 175.22 175.73 2ksq s THR 64 N 3.01 4.66 -0.31 0.64 -4.23 -0.93 -1.10 115.64 117.38 2ksq s THR 64 Ca 0.41 -0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 2ksq s THR 64 Cb -0.15 -3.29 0.07 0.00 1.34 0.00 0.00 72.50 70.47 2ksq s THR 64 CO 0.07 0.18 -0.01 0.68 -0.54 0.00 0.00 174.62 175.01 2ksq s VAL 65 N 1.64 2.61 -0.17 2.29 -7.23 -0.73 0.12 120.40 118.94 2ksq s VAL 65 Ca 0.06 -1.72 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 2ksq s VAL 65 Cb -0.16 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2ksq s VAL 65 CO 0.06 -0.24 0.44 0.26 -0.31 0.00 0.00 175.10 175.32 2ksq s TRP 66 N 1.12 3.43 -0.40 2.82 0.51 -0.95 -1.60 118.94 123.87 2ksq s TRP 66 Ca -0.02 0.74 -0.08 0.00 -2.12 0.00 0.00 56.10 54.61 2ksq s TRP 66 Cb -0.20 -2.55 0.07 0.00 -0.81 0.00 0.00 33.47 29.98 2ksq s TRP 66 CO -0.04 0.05 0.22 0.34 -0.51 0.00 0.00 176.95 177.01 2ksq s ASP 67 N 0.87 5.54 -0.00 2.95 2.15 0.13 -0.03 116.67 128.28 2ksq s ASP 67 Ca 0.22 -1.44 -0.14 0.00 0.43 0.00 0.00 52.55 51.61 2ksq s ASP 67 Cb -0.15 -1.95 -0.06 0.00 -0.30 0.00 0.00 42.92 40.47 2ksq s ASP 67 CO 0.09 -0.49 0.40 -0.69 -0.17 0.00 0.00 175.17 174.31 2ksq s VAL 68 N 1.40 5.04 0.19 1.11 1.01 -1.03 -1.09 120.40 127.03 2ksq s VAL 68 Ca 0.02 0.82 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 2ksq s VAL 68 Cb -0.22 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 2ksq s VAL 68 CO 0.02 0.58 1.15 0.61 0.00 0.00 0.00 175.10 177.45 2ksq n GLY 69 N 1.81 0.02 0.19 4.51 0.00 0.78 -4.61 105.19 107.87 2ksq n GLY 69 Ca -0.14 0.51 0.07 0.00 0.00 0.00 0.00 46.02 46.46 2ksq n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ksq h GLY 70 N 3.22 0.00 -5.31 -0.02 0.00 -1.76 -3.38 103.07 95.82 2ksq h GLY 70 Ca -0.43 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.21 2ksq h GLY 70 CO 0.69 0.00 0.01 -0.18 0.00 0.00 0.00 176.54 177.06 2ksq n GLN 71 N -3.23 0.54 -0.23 4.80 -0.06 -1.26 -4.30 117.38 113.63 2ksq n GLN 71 Ca 0.02 0.19 0.03 0.00 -2.00 0.00 0.00 57.00 55.24 2ksq n GLN 71 Cb 0.59 -1.56 0.15 0.00 -4.06 0.00 0.00 30.24 25.36 2ksq n GLN 71 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2ksq h ASP 72 N 2.66 0.09 -0.22 1.69 1.82 -1.93 0.48 116.42 121.01 2ksq h ASP 72 Ca -0.42 0.12 0.06 0.00 -0.39 0.00 0.00 57.03 56.41 2ksq h ASP 72 Cb 1.39 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.53 2ksq h ASP 72 CO 0.65 0.03 0.21 0.03 -1.61 0.00 0.00 179.24 178.55 2ksq h ARG 73 N 0.32 0.00 0.00 0.28 -0.00 -1.97 -1.34 114.38 111.68 2ksq h ARG 73 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.85 2ksq h ARG 73 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.54 2ksq h ARG 73 CO -0.43 0.00 -1.49 -0.89 0.00 0.00 0.00 179.97 177.17 2ksq n ILE 74 N -4.01 0.00 -0.29 2.04 5.41 0.60 -4.46 119.36 118.65 2ksq n ILE 74 Ca 0.02 -0.28 0.28 0.00 1.00 0.00 0.00 62.75 63.77 2ksq n ILE 74 Cb 0.34 0.45 0.63 0.00 -0.71 0.00 0.00 39.64 40.35 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 0.00 0.19 -0.63 0.38 2.43 1.00 0.25 114.38 117.99 2ksq h ARG 75 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2ksq h ARG 75 Cb 0.71 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 2ksq h ARG 75 CO 0.00 0.13 0.36 0.77 -1.51 0.00 0.00 179.97 179.72 2ksq h SER 76 N 0.20 0.76 0.04 -3.80 0.02 -1.78 -1.63 113.55 107.35 2ksq h SER 76 Ca 0.55 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2ksq h SER 76 Cb 1.78 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2ksq h SER 76 CO -0.14 0.60 0.00 -0.07 -1.14 0.00 0.00 176.83 176.07 2ksq h LEU 77 N 0.87 0.00 -2.05 5.07 4.07 -0.81 -2.64 115.31 119.82 2ksq h LEU 77 Ca 0.23 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.27 2ksq h LEU 77 Cb -0.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 2ksq h LEU 77 CO -0.04 0.00 0.36 -0.50 -1.08 0.00 0.00 178.44 177.18 2ksq h TRP 78 N 0.00 0.00 -0.78 1.13 6.55 -1.38 0.13 115.95 121.61 2ksq h TRP 78 Ca 0.00 0.00 -0.36 0.00 0.95 0.00 0.00 58.89 59.48 2ksq h TRP 78 Cb 0.02 0.00 -0.22 0.00 -0.86 0.00 0.00 29.16 28.10 2ksq h TRP 78 CO 0.00 0.00 0.46 -2.13 -1.05 0.00 0.00 178.44 175.72 2ksq n ARG 79 N -3.60 2.42 0.00 0.49 0.63 -0.99 -3.40 116.66 112.20 2ksq n ARG 79 Ca 0.04 -2.54 0.00 0.00 -0.92 0.00 0.00 57.85 54.43 2ksq n ARG 79 Cb 0.50 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.40 2ksq n ARG 79 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2ksq n HIS 80 N -0.65 0.00 0.72 -0.14 -0.00 0.46 -4.85 115.22 110.76 2ksq n HIS 80 Ca 0.46 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.72 2ksq n HIS 80 Cb 1.41 0.01 0.03 0.00 -0.12 0.00 0.00 29.99 31.32 2ksq n HIS 80 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 2ksq n TYR 81 N -2.02 0.00 1.58 1.57 9.36 -1.18 -4.45 117.16 122.02 2ksq n TYR 81 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 2ksq n TYR 81 Cb 0.24 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.01 2ksq n TYR 81 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 2ksq n TYR 82 N 0.31 0.17 -2.19 2.98 4.11 -1.22 -4.91 117.16 116.41 2ksq n TYR 82 Ca 0.08 -0.08 -0.40 0.00 -0.00 0.00 0.00 57.90 57.49 2ksq n TYR 82 Cb 0.38 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.34 39.69 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2ksq n ASN 84 N 0.77 -0.01 -4.68 0.00 2.85 -1.26 -4.98 115.26 107.94 2ksq n ASN 84 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 2ksq n ASN 84 Cb 0.43 -0.67 -0.03 0.00 1.24 0.00 0.00 39.78 40.75 2ksq n ASN 84 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2ksq s THR 85 N -3.19 3.40 -0.09 -0.44 -1.32 -1.14 -4.62 115.64 108.24 2ksq s THR 85 Ca 0.00 0.76 0.15 0.00 -1.21 0.00 0.00 61.69 61.39 2ksq s THR 85 Cb 0.00 -3.49 -0.17 0.00 -1.51 0.00 0.00 72.50 67.33 2ksq s THR 85 CO 0.00 -0.02 0.77 -0.62 -2.21 0.00 0.00 174.62 172.54 2ksq n GLU 86 N 5.82 0.62 -3.52 7.08 1.02 -0.38 -4.68 120.64 126.61 2ksq n GLU 86 Ca 0.15 0.25 -0.05 0.00 -0.02 0.00 0.00 57.16 57.50 2ksq n GLU 86 Cb 0.42 -1.81 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 2ksq n GLU 86 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2ksq s GLY 87 N -4.90 -0.57 -0.23 0.62 0.00 -0.77 -2.93 107.32 98.53 2ksq s GLY 87 Ca -0.03 1.69 -0.08 0.00 0.00 0.00 0.00 44.72 46.30 2ksq s GLY 87 CO 0.82 2.78 0.08 0.54 0.00 0.00 0.00 173.10 177.32 2ksq s VAL 88 N 2.72 4.52 0.04 1.40 0.11 -1.06 -2.48 120.40 125.66 2ksq s VAL 88 Ca 0.03 -0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 58.79 2ksq s VAL 88 Cb -0.13 -3.09 -0.06 0.00 -1.53 0.00 0.00 36.38 31.56 2ksq s VAL 88 CO -0.16 0.37 0.52 -0.63 -3.33 0.00 0.00 175.10 171.87 2ksq s ILE 89 N 1.25 4.84 -0.10 7.04 1.01 0.29 -2.43 121.20 133.09 2ksq s ILE 89 Ca 0.05 1.11 0.01 0.00 0.00 0.00 0.00 60.65 61.82 2ksq s ILE 89 Cb -0.14 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2ksq s ILE 89 CO 0.04 0.55 -0.12 0.12 0.00 0.00 0.00 174.94 175.52 2ksq s PHE 90 N -1.01 2.80 -0.32 3.97 2.19 0.15 -2.61 117.98 123.16 2ksq s PHE 90 Ca 0.28 -0.44 -0.12 0.00 0.33 0.00 0.00 56.93 56.98 2ksq s PHE 90 Cb -0.19 -1.78 -0.03 0.00 -1.31 0.00 0.00 43.02 39.72 2ksq s PHE 90 CO 0.17 -0.05 0.22 0.08 1.83 0.00 0.00 175.22 177.47 2ksq s VAL 91 N -0.04 5.26 -0.16 3.12 1.01 -1.10 -1.47 120.40 127.02 2ksq s VAL 91 Ca -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2ksq s VAL 91 Cb -0.14 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2ksq s VAL 91 CO 0.04 0.08 -0.19 0.54 0.00 0.00 0.00 175.10 175.57 2ksq s VAL 92 N 1.73 1.94 0.11 2.92 0.11 -1.15 -4.13 120.40 121.94 2ksq s VAL 92 Ca 0.06 -0.87 -0.31 0.00 -2.93 0.00 0.00 61.98 57.93 2ksq s VAL 92 Cb -0.17 -1.76 -0.10 0.00 -1.53 0.00 0.00 36.38 32.82 2ksq s VAL 92 CO 0.10 0.52 1.81 -1.81 -3.33 0.00 0.00 175.10 172.39 2ksq s ASP 93 N 1.22 6.45 0.00 3.54 1.01 -1.26 -0.53 116.67 127.11 2ksq s ASP 93 Ca 0.02 2.72 -0.01 0.00 0.71 0.00 0.00 52.55 55.99 2ksq s ASP 93 Cb -0.14 -2.57 -0.27 0.00 1.01 0.00 0.00 42.92 40.96 2ksq s ASP 93 CO -0.10 -0.99 0.84 -1.28 0.21 0.00 0.00 175.17 173.85 2ksq h SER 94 N 8.59 0.34 0.13 0.27 0.87 -1.44 -3.32 113.55 119.00 2ksq h SER 94 Ca -0.46 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 2ksq h SER 94 Cb 1.22 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2ksq h SER 94 CO 0.95 1.41 -0.04 0.59 -0.53 0.00 0.00 176.83 179.20 2ksq n ASN 95 N -3.42 0.61 -4.09 6.23 4.13 -1.26 -4.14 115.26 113.33 2ksq n ASN 95 Ca -0.16 -0.98 -0.37 0.00 1.68 0.00 0.00 54.58 54.75 2ksq n ASN 95 Cb 1.04 -0.03 -0.05 0.00 -1.54 0.00 0.00 39.78 39.20 2ksq n ASN 95 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2ksq n ASP 96 N -0.65 4.55 0.21 6.41 2.03 -1.25 -4.86 116.55 123.00 2ksq n ASP 96 Ca 0.19 -3.17 0.06 0.00 0.52 0.00 0.00 54.79 52.40 2ksq n ASP 96 Cb 0.24 -1.09 0.47 0.00 -0.72 0.00 0.00 41.12 40.02 2ksq n ASP 96 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2ksq h ARG 97 N 5.90 0.00 -0.45 -0.67 3.08 -1.85 -2.35 114.38 118.04 2ksq h ARG 97 Ca 0.17 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.28 2ksq h ARG 97 Cb 0.79 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 2ksq h ARG 97 CO 0.92 0.29 0.16 1.03 -1.07 0.00 0.00 179.97 181.30 2ksq h SER 98 N 0.00 0.18 0.02 7.04 0.87 -1.97 -2.43 113.55 117.25 2ksq h SER 98 Ca -0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2ksq h SER 98 Cb 0.60 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2ksq h SER 98 CO 0.04 0.13 -0.15 0.54 -0.53 0.00 0.00 176.83 176.86 2ksq n ARG 99 N -5.00 1.67 -0.11 2.24 5.12 -1.17 -4.50 116.66 114.91 2ksq n ARG 99 Ca 0.04 -1.24 0.25 0.00 -1.93 0.00 0.00 57.85 54.97 2ksq n ARG 99 Cb 0.17 -1.47 0.52 0.00 -1.16 0.00 0.00 32.46 30.52 2ksq n ARG 99 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2ksq h ILE 100 N 3.03 0.10 0.03 0.55 1.08 -0.90 0.87 117.51 122.28 2ksq h ILE 100 Ca 0.00 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 64.21 2ksq h ILE 100 Cb 0.74 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 2ksq h ILE 100 CO 0.00 0.00 -1.38 1.23 -0.69 0.00 0.00 178.15 177.31 2ksq h GLY 101 N 0.00 0.06 1.08 5.37 0.00 -1.79 -3.05 103.07 104.74 2ksq h GLY 101 Ca 0.39 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 2ksq h GLY 101 CO -0.00 0.14 0.24 -2.09 0.00 0.00 0.00 176.54 174.83 2ksq h GLU 102 N 0.02 1.15 -0.27 4.80 4.57 0.45 0.29 114.58 125.59 2ksq h GLU 102 Ca -0.16 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 57.70 2ksq h GLU 102 Cb 1.91 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 30.33 2ksq h GLU 102 CO 0.12 0.97 -0.12 0.00 -1.18 0.00 0.00 179.01 178.80 2ksq h ALA 103 N 1.15 0.38 -0.18 2.92 0.00 -1.57 -1.52 119.26 120.44 2ksq h ALA 103 Ca 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ksq h ALA 103 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ksq h ALA 103 CO -0.01 0.25 0.00 -0.09 0.00 0.00 0.00 179.25 179.40 2ksq h ARG 104 N 0.31 0.31 -0.72 0.00 1.12 -1.39 -2.74 114.38 111.27 2ksq h ARG 104 Ca 0.06 -0.10 -0.04 0.00 -1.11 0.00 0.00 59.98 58.79 2ksq h ARG 104 Cb 0.63 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.53 2ksq h ARG 104 CO 0.04 0.52 0.27 0.93 -3.11 0.00 0.00 179.97 178.62 2ksq h GLU 105 N 0.06 1.08 -0.29 0.20 4.39 -0.44 -2.46 114.58 117.13 2ksq h GLU 105 Ca 0.05 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 2ksq h GLU 105 Cb 0.37 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2ksq h GLU 105 CO 0.01 0.89 -0.06 -0.39 -1.16 0.00 0.00 179.01 178.30 2ksq h VAL 106 N 1.05 1.20 -0.22 3.13 -1.51 -1.24 -2.81 116.25 115.85 2ksq h VAL 106 Ca 0.24 -0.84 -0.02 0.00 -1.23 0.00 0.00 66.70 64.84 2ksq h VAL 106 Cb 0.22 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 2ksq h VAL 106 CO -0.02 0.28 0.04 0.24 -1.23 0.00 0.00 177.57 176.89 2ksq h MET 107 N 0.44 0.37 -0.77 5.19 2.86 -1.13 -2.13 114.93 119.75 2ksq h MET 107 Ca 0.09 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2ksq h MET 107 Cb 0.38 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.93 2ksq h MET 107 CO 0.02 0.49 0.44 0.37 1.06 0.00 0.00 176.91 179.29 2ksq h GLN 108 N 0.18 0.76 -0.35 1.72 4.15 -1.24 0.42 115.11 120.75 2ksq h GLN 108 Ca 0.07 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 2ksq h GLN 108 Cb 0.30 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2ksq h GLN 108 CO 0.00 0.50 -0.14 0.00 -1.93 0.00 0.00 178.83 177.27 2ksq h ARG 109 N 0.78 0.61 0.01 1.69 3.08 -1.42 0.35 114.38 119.48 2ksq h ARG 109 Ca 0.35 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 2ksq h ARG 109 Cb 0.26 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2ksq h ARG 109 CO -0.21 0.73 -0.00 0.52 -1.07 0.00 0.00 179.97 179.94 2ksq h MET 110 N 0.56 -0.01 0.00 0.04 2.86 -0.49 -3.10 114.93 114.79 2ksq h MET 110 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2ksq h MET 110 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2ksq h MET 110 CO 0.04 0.45 0.00 1.47 1.06 0.00 0.00 176.91 179.92 2ksq n LEU 111 N -4.87 0.65 -0.10 1.22 -0.00 0.13 -2.83 117.00 111.20 2ksq n LEU 111 Ca -0.08 0.60 0.13 0.00 -0.00 0.00 0.00 56.01 56.66 2ksq n LEU 111 Cb 0.24 -0.44 0.46 0.00 -0.00 0.00 0.00 43.42 43.68 2ksq n LEU 111 CO 0.33 -0.32 0.73 -3.20 -0.00 0.00 0.00 177.39 174.93 2ksq n ASN 112 N -2.15 0.54 -4.73 1.45 5.15 0.12 -4.77 115.26 110.87 2ksq n ASN 112 Ca 0.04 -0.42 -0.41 0.00 -0.60 0.00 0.00 54.58 53.20 2ksq n ASN 112 Cb 0.33 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.54 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2ksq s GLU 113 N -2.69 4.66 0.37 1.20 0.41 -1.13 -4.94 118.70 116.59 2ksq s GLU 113 Ca 0.21 1.37 0.10 0.00 -0.41 0.00 0.00 54.97 56.24 2ksq s GLU 113 Cb 0.19 -3.36 0.73 0.00 -1.78 0.00 0.00 34.13 29.91 2ksq s GLU 113 CO 0.55 0.26 1.87 -0.44 -0.49 0.00 0.00 175.26 177.01 2ksq h ASP 114 N 5.47 0.18 0.58 -0.19 3.32 -1.90 -1.78 116.42 122.09 2ksq h ASP 114 Ca -0.43 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2ksq h ASP 114 Cb 1.21 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2ksq h ASP 114 CO 0.71 0.41 0.00 -0.62 -1.72 0.00 0.00 179.24 178.02 2ksq n GLU 115 N -4.21 0.00 -0.50 3.56 -0.58 -1.26 -2.91 120.64 114.75 2ksq n GLU 115 Ca -0.01 0.22 0.06 0.00 -0.42 0.00 0.00 57.16 57.00 2ksq n GLU 115 Cb 0.33 -1.51 0.10 0.00 -0.57 0.00 0.00 31.44 29.79 2ksq n GLU 115 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2ksq n LEU 116 N -1.51 1.55 0.00 -4.62 7.94 -0.70 -4.75 117.00 114.91 2ksq n LEU 116 Ca 0.04 -2.49 0.12 0.00 -1.11 0.00 0.00 56.01 52.57 2ksq n LEU 116 Cb 0.20 -0.26 0.66 0.00 0.53 0.00 0.00 43.42 44.54 2ksq n LEU 116 CO 0.16 0.68 0.90 0.00 -1.11 0.00 0.00 177.39 178.02 2ksq n ASN 118 N -1.15 1.52 -4.88 0.00 5.15 -1.26 -5.01 115.26 109.63 2ksq n ASN 118 Ca 0.15 -1.26 -0.33 0.00 -0.60 0.00 0.00 54.58 52.53 2ksq n ASN 118 Cb 0.14 0.07 -0.05 0.00 -0.53 0.00 0.00 39.78 39.41 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ksq s ALA 119 N -0.70 3.78 0.94 5.20 0.00 -1.12 -4.91 121.76 124.96 2ksq s ALA 119 Ca 0.08 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 2ksq s ALA 119 Cb 0.06 -2.17 0.16 0.00 0.00 0.00 0.00 23.12 21.18 2ksq s ALA 119 CO 0.11 0.63 1.18 0.00 0.00 0.00 0.00 175.76 177.68 2ksq s ALA 120 N -1.48 1.87 -0.45 0.00 0.00 -1.15 -4.84 121.76 115.70 2ksq s ALA 120 Ca 0.35 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2ksq s ALA 120 Cb -0.13 -2.94 0.18 0.00 0.00 0.00 0.00 23.12 20.23 2ksq s ALA 120 CO 0.20 -2.39 0.50 0.91 0.00 0.00 0.00 175.76 174.98 2ksq n TRP 121 N -3.83 -2.12 -3.31 0.00 7.02 -0.94 -2.55 117.44 111.72 2ksq n TRP 121 Ca 0.10 -2.52 -0.41 0.00 -1.02 0.00 0.00 57.50 53.64 2ksq n TRP 121 Cb 0.60 0.76 -0.08 0.00 -2.42 0.00 0.00 31.31 30.16 2ksq n TRP 121 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2ksq s LEU 122 N 0.36 4.48 0.04 -0.99 2.96 -1.02 -2.57 118.68 121.94 2ksq s LEU 122 Ca 0.32 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2ksq s LEU 122 Cb 0.03 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 2ksq s LEU 122 CO -0.14 -0.46 0.18 0.54 -1.32 0.00 0.00 176.35 175.15 2ksq s VAL 123 N 2.23 5.28 -0.12 1.68 0.11 0.13 0.33 120.40 130.04 2ksq s VAL 123 Ca 0.15 -0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 58.82 2ksq s VAL 123 Cb -0.16 -3.53 0.04 0.00 -1.53 0.00 0.00 36.38 31.20 2ksq s VAL 123 CO 0.13 0.21 0.01 -0.36 -3.33 0.00 0.00 175.10 171.76 2ksq s PHE 124 N -1.42 0.79 -0.38 1.54 0.08 -0.54 -1.60 117.98 116.44 2ksq s PHE 124 Ca 0.31 -0.42 -0.27 0.00 0.12 0.00 0.00 56.93 56.68 2ksq s PHE 124 Cb -0.13 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.39 2ksq s PHE 124 CO 0.24 -0.43 2.16 0.00 -0.10 0.00 0.00 175.22 177.09 2ksq s ALA 125 N 1.94 2.31 0.76 5.36 0.00 -0.81 -2.91 121.76 128.40 2ksq s ALA 125 Ca 0.03 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 2ksq s ALA 125 Cb -0.14 -4.18 0.05 0.00 0.00 0.00 0.00 23.12 18.84 2ksq s ALA 125 CO -0.06 -3.47 1.11 -0.80 0.00 0.00 0.00 175.76 172.53 2ksq s ASN 126 N 9.20 4.94 -1.44 0.00 -0.87 0.31 -2.33 114.94 124.76 2ksq s ASN 126 Ca 0.92 1.15 0.00 0.00 -1.57 0.00 0.00 52.86 53.36 2ksq s ASN 126 Cb -0.23 -1.89 0.00 0.00 -0.02 0.00 0.00 41.25 39.11 2ksq s ASN 126 CO 0.30 -1.67 0.00 0.29 -2.57 0.00 0.00 177.10 173.45 2ksq n LYS 127 N -3.22 -1.03 0.26 -0.60 5.02 -1.25 -1.19 118.16 116.14 2ksq n LYS 127 Ca 0.07 0.92 0.10 0.00 -2.02 0.00 0.00 58.31 57.39 2ksq n LYS 127 Cb 0.57 -5.08 0.69 0.00 -0.02 0.00 0.00 35.03 31.20 2ksq n LYS 127 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2ksq h GLN 128 N 0.00 0.00 0.00 1.97 1.08 -1.66 -1.98 115.11 114.52 2ksq h GLN 128 Ca -0.31 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.85 2ksq h GLN 128 Cb 1.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 2ksq h GLN 128 CO 0.42 0.09 -0.21 0.38 -0.95 0.00 0.00 178.83 178.57 2ksq h ASP 129 N 0.00 0.00 -3.18 1.46 2.03 -1.90 -3.41 116.42 111.42 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 0.20 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 38.78 2ksq h ASP 129 CO 0.01 0.21 0.92 0.18 -1.03 0.00 0.00 179.24 179.53 2ksq n LEU 130 N -3.83 4.35 -0.19 0.15 4.77 -0.74 -4.85 117.00 116.66 2ksq n LEU 130 Ca -0.02 1.13 0.30 0.00 -0.03 0.00 0.00 56.01 57.39 2ksq n LEU 130 Cb 0.30 -1.60 0.72 0.00 -2.33 0.00 0.00 43.42 40.52 2ksq n LEU 130 CO 0.34 0.19 1.27 -0.65 -1.33 0.00 0.00 177.39 177.21 2ksq h PRO 131 N 5.21 0.00 -0.87 3.23 0.11 -1.89 0.45 132.00 138.24 2ksq h PRO 131 Ca -0.46 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.35 2ksq h PRO 131 Cb 1.22 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.15 2ksq h PRO 131 CO 0.83 0.00 0.38 -0.85 -0.21 0.00 0.00 178.00 178.15 2ksq n GLU 132 N -4.08 2.90 -2.06 1.05 0.28 -1.26 -4.97 120.64 112.51 2ksq n GLU 132 Ca 0.20 -2.68 -0.42 0.00 -0.16 0.00 0.00 57.16 54.10 2ksq n GLU 132 Cb 1.05 -2.08 -0.03 0.00 1.43 0.00 0.00 31.44 31.81 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 -2.77 3.65 1.02 -1.84 0.00 0.16 -4.71 121.76 117.27 2ksq s ALA 133 Ca 0.49 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 53.43 2ksq s ALA 133 Cb 0.40 -3.64 0.20 0.00 0.00 0.00 0.00 23.12 20.09 2ksq s ALA 133 CO 0.11 -0.96 1.08 -1.64 0.00 0.00 0.00 175.76 174.35 2ksq s MET 134 N 2.26 0.22 0.54 0.00 -1.94 -1.26 -5.01 119.30 114.11 2ksq s MET 134 Ca 0.69 1.06 -0.08 0.00 -1.71 0.00 0.00 55.69 55.64 2ksq s MET 134 Cb -0.37 -1.67 -0.04 0.00 2.01 0.00 0.00 34.83 34.76 2ksq s MET 134 CO 0.30 -3.02 0.90 -1.12 -0.01 0.00 0.00 175.02 172.07 2ksq s SER 135 N -2.79 6.27 0.16 3.03 0.01 -1.26 -4.98 113.70 114.14 2ksq s SER 135 Ca 0.67 1.17 -0.11 0.00 1.31 0.00 0.00 55.95 58.99 2ksq s SER 135 Cb -0.22 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.69 2ksq s SER 135 CO 0.61 -0.70 1.62 0.00 0.41 0.00 0.00 173.24 175.18 2ksq h ALA 136 N 0.06 0.73 -0.20 1.44 0.00 -2.00 -2.69 119.26 116.60 2ksq h ALA 136 Ca -0.46 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.18 2ksq h ALA 136 Cb 1.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2ksq h ALA 136 CO 0.62 0.54 0.13 0.00 0.00 0.00 0.00 179.25 180.54 2ksq h ALA 137 N 0.96 1.97 -0.00 0.00 0.00 -1.99 -1.54 119.26 118.66 2ksq h ALA 137 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2ksq h ALA 137 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ksq h ALA 137 CO 0.03 -0.00 -0.07 0.93 0.00 0.00 0.00 179.25 180.13 2ksq h GLU 138 N 0.17 0.05 -0.98 0.00 4.39 -1.88 -2.20 114.58 114.13 2ksq h GLU 138 Ca 0.08 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.77 2ksq h GLU 138 Cb 0.12 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 2ksq h GLU 138 CO -0.01 0.83 0.64 0.82 -1.16 0.00 0.00 179.01 180.12 2ksq h ILE 139 N -0.71 1.16 0.02 3.13 1.08 -1.24 -1.63 117.51 119.33 2ksq h ILE 139 Ca -0.01 -0.42 -0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2ksq h ILE 139 Cb 0.85 -0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 2ksq h ILE 139 CO 0.01 0.22 -0.01 0.71 -0.69 0.00 0.00 178.15 178.40 2ksq h THR 140 N 1.23 1.24 0.37 -0.27 1.35 -1.37 -2.62 112.91 112.83 2ksq h THR 140 Ca 0.39 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 2ksq h THR 140 Cb 0.02 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 2ksq h THR 140 CO -0.13 0.20 -0.31 -0.08 -0.25 0.00 0.00 175.52 174.96 2ksq h GLU 141 N -0.37 -0.66 -0.45 4.72 4.81 -1.14 -1.35 114.58 120.15 2ksq h GLU 141 Ca -0.00 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.39 2ksq h GLU 141 Cb 0.35 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2ksq h GLU 141 CO 0.00 -0.44 0.32 0.87 -0.73 0.00 0.00 179.01 179.03 2ksq h LYS 142 N -0.68 0.07 -0.01 1.92 1.57 -1.38 0.25 116.57 118.31 2ksq h LYS 142 Ca -0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ksq h LYS 142 Cb 0.60 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2ksq h LYS 142 CO -0.02 0.05 -0.01 1.28 -0.57 0.00 0.00 179.45 180.17 2ksq n LEU 143 N -4.43 0.71 -2.64 2.94 4.77 -0.89 -4.92 117.00 112.55 2ksq n LEU 143 Ca 0.07 -0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 55.65 2ksq n LEU 143 Cb 0.47 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 2ksq n LEU 143 CO 0.36 0.12 0.04 0.61 -1.33 0.00 0.00 177.39 177.19 2ksq n GLY 144 N 1.11 -0.31 0.29 -0.72 0.00 0.89 -4.91 105.19 101.54 2ksq n GLY 144 Ca 0.21 -0.00 -0.02 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 -1.38 0.75 -0.87 0.99 5.85 -1.46 0.42 115.31 119.61 2ksq h LEU 145 Ca -0.45 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 2ksq h LEU 145 Cb 1.31 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2ksq h LEU 145 CO 0.47 0.50 -0.47 0.45 -0.34 0.00 0.00 178.44 179.05 2ksq h HIS 146 N 0.89 0.00 0.00 1.25 3.86 -1.91 -2.92 115.15 116.32 2ksq h HIS 146 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2ksq h HIS 146 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2ksq h HIS 146 CO -0.04 0.47 -0.36 0.43 0.86 0.00 0.00 177.93 179.29 2ksq n SER 147 N -3.65 0.44 -4.34 2.45 7.64 -0.74 -4.73 113.62 110.69 2ksq n SER 147 Ca -0.01 0.08 -0.40 0.00 1.01 0.00 0.00 58.87 59.56 2ksq n SER 147 Cb 0.55 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 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 -3.04 4.35 -0.04 0.44 1.01 0.06 -4.88 121.20 119.10 2ksq s ILE 148 Ca 0.11 -0.98 0.17 0.00 0.00 0.00 0.00 60.65 59.95 2ksq s ILE 148 Cb 0.17 -3.46 0.32 0.00 0.01 0.00 0.00 42.46 39.50 2ksq s ILE 148 CO 0.65 -0.25 1.14 0.54 0.00 0.00 0.00 174.94 177.02 2ksq n ARG 149 N 4.95 0.33 0.00 2.79 1.74 -1.26 -4.78 116.66 120.43 2ksq n ARG 149 Ca -0.12 -2.02 0.05 0.00 -0.77 0.00 0.00 57.85 54.99 2ksq n ARG 149 Cb 0.45 -0.46 -0.04 0.00 -1.02 0.00 0.00 32.46 31.39 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 0.01 0.77 -3.84 0.55 3.02 -1.26 -4.98 115.26 109.53 2ksq n ASN 150 Ca 0.07 -0.88 -0.14 0.00 -0.03 0.00 0.00 54.58 53.60 2ksq n ASN 150 Cb 0.95 0.81 -0.15 0.00 -0.61 0.00 0.00 39.78 40.78 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 -1.79 0.08 -0.70 3.52 1.81 -1.26 -5.09 118.95 115.52 2ksq s ARG 151 Ca 0.06 0.06 -0.26 0.00 -1.72 0.00 0.00 55.73 53.87 2ksq s ARG 151 Cb 0.08 -0.21 -0.05 0.00 -0.45 0.00 0.00 34.95 34.33 2ksq s ARG 151 CO 0.37 -0.07 2.03 -1.25 -0.68 0.00 0.00 175.30 175.71 2ksq s PRO 152 N 0.52 2.40 -0.00 3.54 0.04 -1.26 -4.93 135.00 135.32 2ksq s PRO 152 Ca -0.05 0.45 -0.02 0.00 0.04 0.00 0.00 61.00 61.43 2ksq s PRO 152 Cb -0.07 -4.67 -0.00 0.00 0.04 0.00 0.00 34.50 29.80 2ksq s PRO 152 CO -0.01 -3.21 0.03 1.67 0.04 0.00 0.00 177.00 175.52 2ksq s TRP 153 N 10.52 0.07 0.04 0.56 1.48 -1.26 -2.21 118.94 128.14 2ksq s TRP 153 Ca 0.76 -0.13 0.00 0.00 -1.06 0.00 0.00 56.10 55.67 2ksq s TRP 153 Cb -0.12 -0.06 -0.03 0.00 -1.16 0.00 0.00 33.47 32.11 2ksq s TRP 153 CO 0.14 -0.11 -0.04 -0.06 -4.06 0.00 0.00 176.95 172.82 2ksq s PHE 154 N -0.63 0.48 -0.09 1.66 0.08 -1.06 -5.00 117.98 113.42 2ksq s PHE 154 Ca -0.07 -0.71 0.04 0.00 0.12 0.00 0.00 56.93 56.31 2ksq s PHE 154 Cb -0.04 -0.32 -0.01 0.00 -0.57 0.00 0.00 43.02 42.08 2ksq s PHE 154 CO -0.00 -0.22 -0.24 -1.50 -0.10 0.00 0.00 175.22 173.17 2ksq s ILE 155 N -2.35 2.14 -0.01 0.64 2.07 -1.26 0.21 121.20 122.64 2ksq s ILE 155 Ca -0.05 -1.01 0.02 0.00 -1.41 0.00 0.00 60.65 58.20 2ksq s ILE 155 Cb -0.03 -1.80 -0.00 0.00 0.13 0.00 0.00 42.46 40.75 2ksq s ILE 155 CO -0.04 0.56 -0.07 -1.58 -1.91 0.00 0.00 174.94 171.90 2ksq s GLN 156 N 0.15 0.63 0.01 3.50 2.00 -0.63 -5.01 119.66 120.31 2ksq s GLN 156 Ca -0.13 -0.27 -0.30 0.00 -2.00 0.00 0.00 55.36 52.66 2ksq s GLN 156 Cb -0.16 -0.61 -0.06 0.00 0.80 0.00 0.00 33.01 32.98 2ksq s GLN 156 CO 0.07 0.15 1.43 0.00 -0.50 0.00 0.00 175.29 176.44 2ksq s ALA 157 N -0.14 3.59 -0.01 1.58 0.00 -1.26 -1.92 121.76 123.60 2ksq s ALA 157 Ca 0.02 0.93 0.04 0.00 0.00 0.00 0.00 51.96 52.95 2ksq s ALA 157 Cb -0.03 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2ksq s ALA 157 CO -0.00 -0.92 -0.12 0.99 0.00 0.00 0.00 175.76 175.71 2ksq s THR 158 N 2.37 0.94 -0.30 0.00 2.01 -0.98 -4.76 115.64 114.91 2ksq s THR 158 Ca 0.65 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.16 2ksq s THR 158 Cb -0.33 -0.79 0.09 0.00 0.01 0.00 0.00 72.50 71.49 2ksq s THR 158 CO 0.27 0.27 0.06 0.00 -0.69 0.00 0.00 174.62 174.53 2ksq h ALA 160 N 7.91 0.65 -0.94 0.00 0.00 -1.93 0.63 119.26 125.58 2ksq h ALA 160 Ca -0.11 -0.64 0.20 0.00 0.00 0.00 0.00 54.91 54.36 2ksq h ALA 160 Cb 1.03 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2ksq h ALA 160 CO 0.47 0.82 0.61 0.00 0.00 0.00 0.00 179.25 181.15 2ksq h THR 161 N 0.16 0.70 0.00 0.00 1.03 -1.94 -3.05 112.91 109.81 2ksq h THR 161 Ca -0.03 -0.19 -0.23 0.00 -0.01 0.00 0.00 66.41 65.95 2ksq h THR 161 Cb 1.33 0.10 -0.04 0.00 -1.07 0.00 0.00 68.15 68.47 2ksq h THR 161 CO 0.12 0.10 -1.87 -0.24 -0.01 0.00 0.00 175.52 173.62 2ksq n SER 162 N -4.59 2.60 0.00 0.00 2.88 -1.21 -4.74 113.62 108.55 2ksq n SER 162 Ca 0.21 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2ksq n SER 162 Cb 0.65 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 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 2.63 0.82 3.76 0.46 0.00 0.22 -4.98 105.19 108.10 2ksq n GLY 163 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.94 4.43 0.00 1.61 2.12 -1.11 -2.86 118.70 121.95 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 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.25 2ksq s GLU 164 CO 0.00 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 2ksq n GLY 165 N 1.42 2.89 0.29 -1.50 0.00 -1.26 -3.17 105.19 103.87 2ksq n GLY 165 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.98 -0.58 0.99 4.07 -1.84 -2.81 115.31 116.12 2ksq h LEU 166 Ca 0.00 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.65 2ksq h LEU 166 Cb 0.00 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 2ksq h LEU 166 CO 0.00 1.02 0.24 1.88 -1.08 0.00 0.00 178.44 180.50 2ksq h TYR 167 N 0.91 0.88 -0.87 1.13 0.05 -1.89 -2.68 116.97 114.50 2ksq h TYR 167 Ca 0.18 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.95 2ksq h TYR 167 Cb 0.48 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 2ksq h TYR 167 CO 0.04 0.70 0.57 0.93 -1.05 0.00 0.00 178.16 179.34 2ksq h GLU 168 N 0.80 0.99 -0.51 4.88 5.08 -1.91 -2.46 114.58 121.44 2ksq h GLU 168 Ca 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2ksq h GLU 168 Cb 0.19 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2ksq h GLU 168 CO -0.02 0.65 0.29 0.78 -1.00 0.00 0.00 179.01 179.71 2ksq h GLY 169 N 1.02 0.76 2.00 -3.84 0.00 -1.22 -2.02 103.07 99.76 2ksq h GLY 169 Ca 0.37 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2ksq h GLY 169 CO -0.13 0.33 -0.24 -2.00 0.00 0.00 0.00 176.54 174.50 2ksq h LEU 170 N 0.68 0.00 -0.20 3.11 5.85 -1.36 -2.49 115.31 120.90 2ksq h LEU 170 Ca 0.18 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 2ksq h LEU 170 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2ksq h LEU 170 CO -0.03 0.24 -0.54 -0.08 -0.34 0.00 0.00 178.44 177.69 2ksq h GLU 171 N 0.00 0.72 -0.50 1.25 4.81 -0.99 -2.39 114.58 117.49 2ksq h GLU 171 Ca -0.00 -0.51 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 2ksq h GLU 171 Cb 0.49 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2ksq h GLU 171 CO 0.03 1.13 -0.13 -1.49 -0.73 0.00 0.00 179.01 177.82 2ksq h TRP 172 N 0.44 1.06 -0.18 0.92 -0.00 -1.17 -1.93 115.95 115.09 2ksq h TRP 172 Ca -0.01 -0.22 -0.10 0.00 -0.00 0.00 0.00 58.89 58.56 2ksq h TRP 172 Cb 1.16 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 30.04 2ksq h TRP 172 CO 0.09 1.00 -0.32 1.25 -0.00 0.00 0.00 178.44 180.47 2ksq h LEU 173 N 0.84 0.37 -0.46 -4.49 7.12 -1.47 -2.36 115.31 114.86 2ksq h LEU 173 Ca 0.13 -0.14 -0.17 0.00 0.13 0.00 0.00 57.88 57.84 2ksq h LEU 173 Cb 0.67 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.68 2ksq h LEU 173 CO 0.05 0.68 -0.77 0.77 -0.13 0.00 0.00 178.44 179.03 2ksq h SER 174 N 0.32 0.11 0.57 1.25 4.64 -1.23 -3.22 113.55 115.99 2ksq h SER 174 Ca 0.04 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.11 2ksq h SER 174 Cb 0.72 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 2ksq h SER 174 CO 0.05 0.83 -0.77 -1.13 -0.87 0.00 0.00 176.83 174.95 2ksq h ASN 175 N 0.05 0.19 0.60 4.97 -0.73 -1.15 -2.99 115.58 116.53 2ksq h ASN 175 Ca -0.02 -0.14 -0.08 0.00 1.87 0.00 0.00 56.30 57.93 2ksq h ASN 175 Cb 1.35 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.87 2ksq h ASN 175 CO 0.11 0.89 -0.39 0.00 -0.37 0.00 0.00 177.43 177.66 2ksq h LEU 177 N 0.00 0.00 1.47 0.00 4.07 -1.62 -3.47 115.31 115.77 2ksq h LEU 177 Ca -0.00 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.77 2ksq h LEU 177 Cb 0.80 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.47 2ksq h LEU 177 CO 0.05 0.73 -0.26 0.29 -1.08 0.00 0.00 178.44 178.17 2ksq n LYS 178 N -4.55 -2.60 -0.24 1.13 4.76 -1.13 -4.74 118.16 110.79 2ksq n LYS 178 Ca -0.07 0.19 0.21 0.00 -2.87 0.00 0.00 58.31 55.78 2ksq n LYS 178 Cb 0.25 -4.75 0.39 0.00 -1.84 0.00 0.00 35.03 29.07 2ksq n LYS 178 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2ksq n ASN 179 N -1.79 0.18 0.00 4.39 5.15 -1.26 -4.29 115.26 117.64 2ksq n ASN 179 Ca -0.01 1.24 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 2ksq n ASN 179 Cb 0.52 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 2ksq n ASN 179 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ksq n SER 180 N -4.76 0.00 0.00 1.20 7.64 -1.26 -5.24 113.62 111.20 2ksq n SER 180 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2ksq n SER 180 Cb 0.87 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 2ksq n SER 180 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44