#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 0.02 -0.32 0.99 5.85 -2.06 -2.06 115.31 117.73 2ksq h LEU 3 Ca 0.00 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.17 2ksq h LEU 3 Cb 0.00 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2ksq h LEU 3 CO 0.00 0.48 -0.11 0.15 -0.34 0.00 0.00 178.44 178.62 2ksq h PHE 4 N -0.45 0.73 0.38 1.25 3.57 -2.06 -2.99 116.94 117.36 2ksq h PHE 4 Ca 0.00 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 2ksq h PHE 4 Cb 0.48 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2ksq h PHE 4 CO 0.09 0.83 -0.30 0.00 -2.23 0.00 0.00 178.31 176.70 2ksq h ALA 5 N 0.79 -0.69 -0.66 2.41 0.00 -2.01 -2.09 119.26 117.01 2ksq h ALA 5 Ca 0.08 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.06 2ksq h ALA 5 Cb 0.62 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2ksq h ALA 5 CO 0.04 -0.92 0.52 1.03 0.00 0.00 0.00 179.25 179.92 2ksq h SER 6 N -0.69 0.00 0.03 0.00 0.87 -1.41 -0.14 113.55 112.20 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 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2ksq h SER 6 CO -0.01 0.00 -0.01 0.11 -0.53 0.00 0.00 176.83 176.38 2ksq h LYS 7 N 0.00 -0.03 -0.13 2.24 1.57 -1.24 -1.34 116.57 117.65 2ksq h LYS 7 Ca 0.31 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 2ksq h LYS 7 Cb 1.34 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 2ksq h LYS 7 CO -0.00 0.39 0.10 1.25 -0.57 0.00 0.00 179.45 180.62 2ksq h LEU 8 N -0.47 0.00 -0.21 2.94 7.12 -0.66 -0.71 115.31 123.33 2ksq h LEU 8 Ca -0.00 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.80 2ksq h LEU 8 Cb 0.44 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 2ksq h LEU 8 CO 0.01 0.00 -0.93 0.15 -0.13 0.00 0.00 178.44 177.54 2ksq h PHE 9 N 0.00 0.19 -0.67 1.25 3.57 -1.12 -3.27 116.94 116.88 2ksq h PHE 9 Ca 0.06 -0.11 0.15 0.00 3.53 0.00 0.00 57.97 61.59 2ksq h PHE 9 Cb 0.25 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 2ksq h PHE 9 CO 0.00 0.97 0.46 0.77 -2.23 0.00 0.00 178.31 178.28 2ksq h SER 10 N 0.06 0.27 -0.12 0.41 0.02 0.06 -0.51 113.55 113.73 2ksq h SER 10 Ca -0.04 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2ksq h SER 10 Cb 1.59 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 2ksq h SER 10 CO 0.13 0.14 0.20 -0.55 -1.14 0.00 0.00 176.83 175.61 2ksq h ASN 11 N 0.28 0.00 -0.90 3.07 -1.07 -1.60 -1.87 115.58 113.49 2ksq h ASN 11 Ca 0.33 0.00 0.22 0.00 0.07 0.00 0.00 56.30 56.92 2ksq h ASN 11 Cb 0.88 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.07 2ksq h ASN 11 CO -0.08 0.00 0.61 0.17 0.07 0.00 0.00 177.43 178.20 2ksq h LEU 12 N 0.00 0.30 0.00 6.14 8.10 -1.32 -1.77 115.31 126.76 2ksq h LEU 12 Ca 0.06 0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.08 2ksq h LEU 12 Cb 0.46 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2ksq h LEU 12 CO -0.00 0.11 -1.52 2.22 -4.11 0.00 0.00 178.44 175.15 2ksq n PHE 13 N -4.46 0.00 0.28 0.17 1.16 -0.73 -4.47 117.46 109.41 2ksq n PHE 13 Ca 0.19 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 55.95 2ksq n PHE 13 Cb 0.77 -0.28 0.90 0.00 -1.61 0.00 0.00 39.48 39.26 2ksq n PHE 13 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2ksq h GLY 14 N 2.61 0.00 -2.53 4.97 0.00 -1.00 -3.41 103.07 103.71 2ksq h GLY 14 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 2ksq h GLY 14 CO 0.00 0.00 -0.15 0.21 0.00 0.00 0.00 176.54 176.60 2ksq s ASN 15 N -5.00 6.19 -0.33 0.19 3.04 -1.20 -5.03 114.94 112.80 2ksq s ASN 15 Ca -0.04 0.45 0.07 0.00 0.04 0.00 0.00 52.86 53.37 2ksq s ASN 15 Cb 0.12 -1.94 0.45 0.00 -1.54 0.00 0.00 41.25 38.34 2ksq s ASN 15 CO 0.40 -0.41 1.17 2.29 -3.04 0.00 0.00 177.10 177.51 2ksq n LYS 16 N -1.89 3.55 -3.95 0.43 2.85 -1.26 -5.02 118.16 112.86 2ksq n LYS 16 Ca -0.03 -4.24 -0.11 0.00 -1.05 0.00 0.00 58.31 52.87 2ksq n LYS 16 Cb 0.56 -2.26 -0.13 0.00 -0.65 0.00 0.00 35.03 32.55 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2ksq s GLU 17 N -3.59 0.20 0.01 -1.58 2.02 -1.26 0.10 118.70 114.61 2ksq s GLU 17 Ca 0.50 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 55.19 2ksq s GLU 17 Cb 0.41 -0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.61 2ksq s GLU 17 CO -0.02 -0.00 -0.05 -1.64 0.02 0.00 0.00 175.26 173.57 2ksq s MET 18 N -0.70 0.36 -0.18 1.61 -1.94 -1.14 -4.92 119.30 112.39 2ksq s MET 18 Ca -0.07 -0.31 -0.08 0.00 -1.71 0.00 0.00 55.69 53.52 2ksq s MET 18 Cb -0.05 -0.27 -0.05 0.00 2.01 0.00 0.00 34.83 36.48 2ksq s MET 18 CO -0.00 0.06 0.11 1.03 -0.01 0.00 0.00 175.02 176.21 2ksq s ARG 19 N -0.53 3.95 0.10 2.03 3.00 -1.26 0.49 118.95 126.73 2ksq s ARG 19 Ca -0.02 -0.24 0.05 0.00 0.00 0.00 0.00 55.73 55.51 2ksq s ARG 19 Cb -0.04 -3.30 -0.04 0.00 0.00 0.00 0.00 34.95 31.57 2ksq s ARG 19 CO -0.00 0.40 -0.12 0.42 0.00 0.00 0.00 175.30 176.01 2ksq s ILE 20 N 0.04 1.09 0.00 1.52 -1.09 0.30 0.10 121.20 123.17 2ksq s ILE 20 Ca 0.08 -1.65 0.03 0.00 -2.23 0.00 0.00 60.65 56.88 2ksq s ILE 20 Cb -0.12 -1.40 -0.01 0.00 -1.58 0.00 0.00 42.46 39.35 2ksq s ILE 20 CO -0.00 -0.49 -0.09 -0.22 -1.23 0.00 0.00 174.94 172.90 2ksq s LEU 21 N -2.41 2.06 -0.15 2.97 2.96 -0.06 -0.47 118.68 123.57 2ksq s LEU 21 Ca 0.06 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2ksq s LEU 21 Cb -0.04 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.21 2ksq s LEU 21 CO 0.01 0.07 -0.19 -0.32 -1.32 0.00 0.00 176.35 174.60 2ksq s MET 22 N -0.47 3.08 0.34 1.98 1.75 0.29 0.15 119.30 126.42 2ksq s MET 22 Ca 0.02 -0.82 -0.15 0.00 -1.25 0.00 0.00 55.69 53.50 2ksq s MET 22 Cb -0.05 -2.52 0.03 0.00 2.84 0.00 0.00 34.83 35.13 2ksq s MET 22 CO -0.00 -0.04 0.69 0.14 -0.65 0.00 0.00 175.02 175.15 2ksq s VAL 23 N 0.91 0.00 0.00 10.11 -7.23 -1.14 -0.70 120.40 122.36 2ksq s VAL 23 Ca -0.04 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2ksq s VAL 23 Cb -0.15 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2ksq s VAL 23 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 2ksq n GLY 24 N -0.50 -0.99 0.32 2.32 0.00 -1.26 -2.73 105.19 102.35 2ksq n GLY 24 Ca -0.05 0.36 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.19 0.99 4.32 -1.26 -4.97 117.00 114.89 2ksq n LEU 25 Ca 0.00 -0.23 -0.03 0.00 -0.02 0.00 0.00 56.01 55.74 2ksq n LEU 25 Cb 0.00 -0.01 0.10 0.00 -1.62 0.00 0.00 43.42 41.89 2ksq n LEU 25 CO 0.00 -0.36 0.61 -0.90 -1.22 0.00 0.00 177.39 175.51 2ksq n ASP 26 N -2.33 2.93 0.00 -1.43 5.68 -1.26 -4.19 116.55 115.95 2ksq n ASP 26 Ca 0.00 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.86 2ksq n ASP 26 Cb 0.05 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ksq n GLY 27 N 0.08 0.00 0.10 6.12 0.00 -1.26 -4.90 105.19 105.33 2ksq n GLY 27 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.14 0.00 4.61 0.00 -1.85 -3.48 119.26 118.40 2ksq h ALA 28 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ksq h ALA 28 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ksq h ALA 28 CO 0.00 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.21 2ksq n GLY 29 N -0.45 1.15 0.25 0.00 0.00 -1.26 -4.78 105.19 100.09 2ksq n GLY 29 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 0.62 -0.19 1.61 2.10 -1.95 -2.22 116.57 116.53 2ksq h LYS 30 Ca 0.00 -0.23 -0.18 0.00 -2.00 0.00 0.00 60.65 58.23 2ksq h LYS 30 Cb 0.00 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2ksq h LYS 30 CO 0.00 0.80 -0.61 1.15 -2.00 0.00 0.00 179.45 178.78 2ksq h THR 31 N 0.55 1.31 -0.34 0.07 2.02 -1.95 -2.54 112.91 112.02 2ksq h THR 31 Ca 0.08 -1.86 -0.07 0.00 0.77 0.00 0.00 66.41 65.34 2ksq h THR 31 Cb 0.68 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 2ksq h THR 31 CO 0.05 0.58 -0.05 0.74 0.37 0.00 0.00 175.52 177.22 2ksq h THR 32 N 0.50 1.27 -0.16 3.16 2.02 -1.90 -2.81 112.91 114.99 2ksq h THR 32 Ca -0.01 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 2ksq h THR 32 Cb 1.19 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2ksq h THR 32 CO 0.12 0.35 -0.05 1.62 0.37 0.00 0.00 175.52 177.93 2ksq h VAL 33 N 0.43 1.29 -0.66 3.16 3.04 -1.45 -2.29 116.25 119.77 2ksq h VAL 33 Ca 0.09 -1.03 0.05 0.00 -1.01 0.00 0.00 66.70 64.80 2ksq h VAL 33 Cb 0.53 1.64 -0.04 0.00 -2.01 0.00 0.00 31.29 31.41 2ksq h VAL 33 CO 0.03 0.31 0.44 -0.07 -1.01 0.00 0.00 177.57 177.26 2ksq h LEU 34 N 0.02 0.62 -0.18 3.16 3.38 -1.50 0.26 115.31 121.07 2ksq h LEU 34 Ca 0.04 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 2ksq h LEU 34 Cb 0.49 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ksq h LEU 34 CO 0.02 0.41 -0.94 1.88 0.09 0.00 0.00 178.44 179.90 2ksq h TYR 35 N 0.71 0.58 -0.06 1.13 0.05 -1.45 -2.05 116.97 115.88 2ksq h TYR 35 Ca 0.28 -0.32 -0.12 0.00 0.05 0.00 0.00 58.73 58.62 2ksq h TYR 35 Cb 0.20 -0.06 0.01 0.00 1.01 0.00 0.00 36.73 37.88 2ksq h TYR 35 CO -0.00 1.14 -0.44 -0.22 -1.05 0.00 0.00 178.16 177.58 2ksq h LYS 36 N 0.22 0.40 -0.03 4.88 3.64 -0.77 0.67 116.57 125.58 2ksq h LYS 36 Ca -0.08 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 2ksq h LYS 36 Cb 1.58 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.47 2ksq h LYS 36 CO 0.16 1.00 -0.37 1.25 -2.27 0.00 0.00 179.45 179.22 2ksq h LEU 37 N -0.09 0.06 0.00 5.20 7.12 -0.60 0.97 115.31 127.98 2ksq h LEU 37 Ca -0.04 -0.02 -0.30 0.00 0.13 0.00 0.00 57.88 57.65 2ksq h LEU 37 Cb 1.12 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 41.18 2ksq h LEU 37 CO 0.09 0.43 -1.79 1.17 -0.13 0.00 0.00 178.44 178.21 2ksq n LYS 38 N -4.08 0.64 -0.00 1.25 4.81 -0.77 -4.39 118.16 115.62 2ksq n LYS 38 Ca -0.02 0.25 0.08 0.00 -0.87 0.00 0.00 58.31 57.76 2ksq n LYS 38 Cb 0.42 -1.76 -0.10 0.00 0.02 0.00 0.00 35.03 33.61 2ksq n LYS 38 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2ksq n LEU 39 N -3.00 0.50 0.00 3.14 4.77 0.23 -4.99 117.00 117.66 2ksq n LEU 39 Ca -0.19 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2ksq n LEU 39 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 2ksq n LEU 39 CO 0.45 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2ksq n GLY 40 N 1.44 1.59 3.01 -0.72 0.00 0.34 -4.99 105.19 105.86 2ksq n GLY 40 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 0.44 0.01 1.61 2.02 -1.23 -4.99 118.70 116.52 2ksq s GLU 41 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 2ksq s GLU 41 Cb 0.00 -0.26 -0.03 0.00 0.10 0.00 0.00 34.13 33.93 2ksq s GLU 41 CO 0.00 0.05 1.01 0.08 0.02 0.00 0.00 175.26 176.43 2ksq s VAL 42 N -0.95 4.73 0.36 2.63 1.01 -1.26 -3.99 120.40 122.94 2ksq s VAL 42 Ca -0.07 1.97 0.04 0.00 0.00 0.00 0.00 61.98 63.92 2ksq s VAL 42 Cb -0.07 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2ksq s VAL 42 CO 0.00 0.15 0.07 0.27 0.00 0.00 0.00 175.10 175.59 2ksq s ILE 43 N 1.01 1.12 -0.22 2.22 -5.25 -1.26 -5.08 121.20 113.74 2ksq s ILE 43 Ca 0.53 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.90 2ksq s ILE 43 Cb -0.22 -2.67 0.01 0.00 2.95 0.00 0.00 42.46 42.53 2ksq s ILE 43 CO 0.28 0.00 1.02 0.42 -1.79 0.00 0.00 174.94 174.87 2ksq s THR 44 N -3.20 4.70 0.43 8.37 -4.23 -1.26 -4.96 115.64 115.49 2ksq s THR 44 Ca 0.31 1.98 0.08 0.00 -1.18 0.00 0.00 61.69 62.88 2ksq s THR 44 Cb 0.07 -4.29 -0.01 0.00 1.34 0.00 0.00 72.50 69.61 2ksq s THR 44 CO 0.15 -0.16 0.44 0.28 -0.54 0.00 0.00 174.62 174.78 2ksq s THR 45 N 3.10 2.68 0.16 3.99 -1.32 -1.26 -5.09 115.64 117.89 2ksq s THR 45 Ca 0.43 -1.26 -0.08 0.00 -1.21 0.00 0.00 61.69 59.57 2ksq s THR 45 Cb -0.15 -2.94 -0.01 0.00 -1.51 0.00 0.00 72.50 67.89 2ksq s THR 45 CO 0.07 0.00 0.26 0.27 -2.21 0.00 0.00 174.62 173.00 2ksq s ILE 46 N -2.46 0.07 -0.18 5.08 -4.36 -1.26 -5.09 121.20 113.00 2ksq s ILE 46 Ca 0.50 -1.44 -0.31 0.00 -0.26 0.00 0.00 60.65 59.14 2ksq s ILE 46 Cb -0.05 -1.85 -0.08 0.00 1.25 0.00 0.00 42.46 41.73 2ksq s ILE 46 CO 0.29 -0.33 2.12 -2.65 0.24 0.00 0.00 174.94 174.61 2ksq n PRO 47 N -0.20 1.99 -2.92 0.37 -0.02 -1.26 -4.93 135.00 128.04 2ksq n PRO 47 Ca -0.07 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2ksq n PRO 47 Cb 0.63 -2.95 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 2ksq n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ksq s THR 48 N 6.72 4.82 -0.48 3.45 2.01 -1.26 -4.98 115.64 125.91 2ksq s THR 48 Ca 0.99 1.38 -0.23 0.00 0.31 0.00 0.00 61.69 64.14 2ksq s THR 48 Cb -0.51 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 67.90 2ksq s THR 48 CO 0.42 -0.15 0.79 -0.51 -0.69 0.00 0.00 174.62 174.48 2ksq s ILE 49 N 2.89 4.62 0.00 1.82 1.10 -1.26 -2.96 121.20 127.42 2ksq s ILE 49 Ca 0.34 0.27 0.00 0.00 -0.51 0.00 0.00 60.65 60.74 2ksq s ILE 49 Cb -0.15 -4.36 0.00 0.00 0.15 0.00 0.00 42.46 38.10 2ksq s ILE 49 CO 0.10 -0.81 0.00 0.61 -2.11 0.00 0.00 174.94 172.72 2ksq n GLY 50 N 5.04 0.67 3.14 1.50 0.00 -1.17 -5.00 105.19 109.37 2ksq n GLY 50 Ca 0.01 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 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 0.76 -0.11 1.61 -0.71 -1.26 -2.05 117.98 116.22 2ksq s PHE 51 Ca 0.00 -1.18 -0.05 0.00 -1.04 0.00 0.00 56.93 54.66 2ksq s PHE 51 Cb 0.00 -0.45 0.05 0.00 -1.21 0.00 0.00 43.02 41.42 2ksq s PHE 51 CO 0.00 -0.49 0.25 -0.80 -1.34 0.00 0.00 175.22 172.84 2ksq s ASN 52 N -3.01 0.02 0.24 1.98 -0.87 -0.86 -4.93 114.94 107.50 2ksq s ASN 52 Ca 0.19 0.54 -0.09 0.00 -1.57 0.00 0.00 52.86 51.94 2ksq s ASN 52 Cb 0.08 0.51 -0.07 0.00 -0.02 0.00 0.00 41.25 41.75 2ksq s ASN 52 CO -0.01 -0.20 0.54 0.54 -2.57 0.00 0.00 177.10 175.40 2ksq s VAL 53 N 1.75 4.96 -0.09 1.60 0.11 -1.26 0.00 120.40 127.47 2ksq s VAL 53 Ca -0.05 0.38 -0.03 0.00 -2.93 0.00 0.00 61.98 59.35 2ksq s VAL 53 Cb -0.11 -3.64 0.05 0.00 -1.53 0.00 0.00 36.38 31.15 2ksq s VAL 53 CO -0.08 -0.11 0.12 -1.61 -3.33 0.00 0.00 175.10 170.08 2ksq s GLU 54 N -2.95 0.01 -0.43 1.54 0.41 -0.55 -4.96 118.70 111.78 2ksq s GLU 54 Ca 0.46 0.39 -0.21 0.00 -0.41 0.00 0.00 54.97 55.20 2ksq s GLU 54 Cb -0.11 -0.63 0.02 0.00 -1.78 0.00 0.00 34.13 31.63 2ksq s GLU 54 CO 0.23 -0.39 0.66 0.00 -0.49 0.00 0.00 175.26 175.28 2ksq s VAL 56 N 2.87 1.18 -0.10 0.00 1.01 -0.89 -5.04 120.40 119.43 2ksq s VAL 56 Ca 0.24 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2ksq s VAL 56 Cb -0.14 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2ksq s VAL 56 CO 0.19 0.29 -0.10 -1.58 0.00 0.00 0.00 175.10 173.90 2ksq s GLN 57 N -0.48 3.08 -0.10 2.72 2.00 -1.26 -0.97 119.66 124.66 2ksq s GLN 57 Ca 0.05 -0.61 -0.02 0.00 -2.00 0.00 0.00 55.36 52.78 2ksq s GLN 57 Cb -0.06 -2.63 0.04 0.00 0.80 0.00 0.00 33.01 31.16 2ksq s GLN 57 CO -0.00 0.43 0.02 -0.47 -0.50 0.00 0.00 175.29 174.77 2ksq s TYR 58 N -0.20 0.68 0.00 1.67 6.14 0.55 -4.97 117.35 121.22 2ksq s TYR 58 Ca 0.02 -0.30 0.00 0.00 0.64 0.00 0.00 57.07 57.43 2ksq s TYR 58 Cb -0.13 -0.83 0.00 0.00 0.42 0.00 0.00 41.96 41.42 2ksq s TYR 58 CO 0.03 -0.39 0.00 0.00 0.64 0.00 0.00 175.55 175.83 2ksq n ASN 60 N 4.45 0.33 -4.68 0.00 0.23 -1.26 -5.09 115.26 109.23 2ksq n ASN 60 Ca 0.00 -1.14 -0.26 0.00 -0.53 0.00 0.00 54.58 52.64 2ksq n ASN 60 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 2ksq n ASN 60 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2ksq s ILE 61 N -0.14 3.82 -0.56 1.53 -4.36 -0.56 -4.81 121.20 116.11 2ksq s ILE 61 Ca 0.00 -1.39 0.04 0.00 -0.26 0.00 0.00 60.65 59.04 2ksq s ILE 61 Cb 0.00 -2.93 0.14 0.00 1.25 0.00 0.00 42.46 40.92 2ksq s ILE 61 CO 0.00 -0.12 0.32 -0.55 0.24 0.00 0.00 174.94 174.83 2ksq s SER 62 N -3.00 4.40 0.10 4.36 0.15 0.29 -0.33 113.70 119.66 2ksq s SER 62 Ca 0.28 -3.22 -0.26 0.00 0.70 0.00 0.00 55.95 53.45 2ksq s SER 62 Cb -0.09 -1.60 -0.06 0.00 -1.71 0.00 0.00 66.02 62.55 2ksq s SER 62 CO 0.19 -0.19 0.81 0.72 1.20 0.00 0.00 173.24 175.97 2ksq s PHE 63 N -0.57 3.81 -0.22 3.44 -0.71 -0.14 -2.89 117.98 120.70 2ksq s PHE 63 Ca 0.19 1.60 -0.06 0.00 -1.04 0.00 0.00 56.93 57.62 2ksq s PHE 63 Cb -0.20 -2.85 -0.02 0.00 -1.21 0.00 0.00 43.02 38.73 2ksq s PHE 63 CO -0.05 0.35 0.03 0.99 -1.34 0.00 0.00 175.22 175.20 2ksq s THR 64 N -0.44 4.08 -0.26 -4.49 2.01 0.18 -2.10 115.64 114.63 2ksq s THR 64 Ca 0.39 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 2ksq s THR 64 Cb -0.22 -2.88 0.03 0.00 0.01 0.00 0.00 72.50 69.44 2ksq s THR 64 CO 0.26 0.39 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.84 2ksq s VAL 65 N 1.31 2.98 -0.18 3.82 1.01 -0.68 0.11 120.40 128.77 2ksq s VAL 65 Ca 0.04 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 2ksq s VAL 65 Cb -0.15 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2ksq s VAL 65 CO 0.02 0.15 0.30 0.26 0.00 0.00 0.00 175.10 175.84 2ksq s TRP 66 N 1.33 3.42 -0.37 5.22 0.51 0.38 -1.48 118.94 127.95 2ksq s TRP 66 Ca -0.00 0.56 -0.06 0.00 -2.12 0.00 0.00 56.10 54.47 2ksq s TRP 66 Cb -0.17 -2.38 0.06 0.00 -0.81 0.00 0.00 33.47 30.18 2ksq s TRP 66 CO -0.03 0.16 0.16 0.16 -0.51 0.00 0.00 176.95 176.88 2ksq s ASP 67 N 0.67 5.37 -0.02 2.95 -4.77 0.10 0.11 116.67 121.08 2ksq s ASP 67 Ca 0.16 -1.38 -0.06 0.00 -3.30 0.00 0.00 52.55 47.96 2ksq s ASP 67 Cb -0.13 -1.89 -0.04 0.00 -1.09 0.00 0.00 42.92 39.76 2ksq s ASP 67 CO 0.05 -0.41 0.23 -0.69 0.70 0.00 0.00 175.17 175.05 2ksq s VAL 68 N 1.36 5.36 -5.00 2.11 1.01 0.12 -2.03 120.40 123.32 2ksq s VAL 68 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2ksq s VAL 68 Cb -0.21 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2ksq s VAL 68 CO 0.01 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2ksq n GLY 69 N 1.30 -0.42 0.00 4.51 0.00 -0.87 -4.33 105.19 105.37 2ksq n GLY 69 Ca -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 1.70 0.00 -0.02 0.00 -1.15 -3.02 105.19 102.70 2ksq n GLY 70 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.00 -0.32 1.61 -0.06 -1.26 -4.85 117.38 112.50 2ksq n GLN 71 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.09 2ksq n GLN 71 Cb 0.00 0.00 0.26 0.00 -4.06 0.00 0.00 30.24 26.44 2ksq n GLN 71 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2ksq h ASP 72 N 0.00 0.64 -0.44 1.69 5.19 -1.97 0.78 116.42 122.32 2ksq h ASP 72 Ca 0.00 0.09 0.13 0.00 -0.62 0.00 0.00 57.03 56.63 2ksq h ASP 72 Cb 0.00 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 2ksq h ASP 72 CO 0.00 0.25 0.54 0.03 -3.12 0.00 0.00 179.24 176.94 2ksq h ARG 73 N 0.69 0.00 0.00 3.56 3.08 -2.02 0.14 114.38 119.83 2ksq h ARG 73 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 2ksq h ARG 73 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2ksq h ARG 73 CO -0.37 0.00 -0.52 0.44 -1.07 0.00 0.00 179.97 178.44 2ksq n ILE 74 N -3.53 0.00 -0.07 2.04 -5.35 0.17 -4.56 119.36 108.07 2ksq n ILE 74 Ca 0.08 -0.25 0.25 0.00 -0.27 0.00 0.00 62.75 62.57 2ksq n ILE 74 Cb 0.72 0.99 0.70 0.00 -1.74 0.00 0.00 39.64 40.31 2ksq n ILE 74 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 2ksq h ARG 75 N 0.00 0.00 -0.38 6.28 0.11 0.28 0.15 114.38 120.82 2ksq h ARG 75 Ca 0.00 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.19 2ksq h ARG 75 Cb 0.26 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 2ksq h ARG 75 CO 0.00 0.00 0.31 0.66 0.10 0.00 0.00 179.97 181.04 2ksq h SER 76 N 0.00 0.00 0.17 0.08 4.64 -1.80 0.33 113.55 116.96 2ksq h SER 76 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2ksq h SER 76 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 2ksq h SER 76 CO -0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 2ksq h LEU 77 N 0.00 0.00 -0.71 5.97 3.38 -1.04 -2.97 115.31 119.94 2ksq h LEU 77 Ca 0.18 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.27 2ksq h LEU 77 Cb 0.81 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 2ksq h LEU 77 CO -0.00 0.00 0.30 -0.50 0.09 0.00 0.00 178.44 178.33 2ksq h TRP 78 N 0.00 0.53 -0.58 1.13 6.55 -1.12 0.60 115.95 123.06 2ksq h TRP 78 Ca 0.00 0.03 -0.18 0.00 0.95 0.00 0.00 58.89 59.70 2ksq h TRP 78 Cb 0.08 -0.13 -0.11 0.00 -0.86 0.00 0.00 29.16 28.15 2ksq h TRP 78 CO 0.00 0.12 0.22 -2.13 -1.05 0.00 0.00 178.44 175.61 2ksq n ARG 79 N -4.96 3.05 -0.00 0.49 0.00 -1.12 -2.96 116.66 111.16 2ksq n ARG 79 Ca 0.12 -2.34 0.01 0.00 -0.00 0.00 0.00 57.85 55.64 2ksq n ARG 79 Cb 0.34 -2.00 -0.02 0.00 0.00 0.00 0.00 32.46 30.79 2ksq n ARG 79 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2ksq n HIS 80 N -0.08 0.00 -1.76 -0.14 -0.00 0.18 -4.81 115.22 108.62 2ksq n HIS 80 Ca 0.32 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.50 2ksq n HIS 80 Cb 1.16 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.96 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 -1.71 0.00 -0.35 1.57 4.19 -1.05 -4.91 117.16 114.90 2ksq n TYR 81 Ca -0.01 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.32 2ksq n TYR 81 Cb 0.18 0.04 0.32 0.00 0.49 0.00 0.00 39.34 40.37 2ksq n TYR 81 CO 0.00 0.00 0.00 0.10 0.91 0.00 0.00 176.86 177.87 2ksq h TYR 82 N 0.00 1.06 -2.57 2.98 -0.00 -1.75 -3.47 116.97 113.21 2ksq h TYR 82 Ca 0.00 0.03 0.18 0.00 -0.00 0.00 0.00 58.73 58.94 2ksq h TYR 82 Cb 1.19 -0.32 -0.05 0.00 -0.00 0.00 0.00 36.73 37.55 2ksq h TYR 82 CO -0.01 0.26 -0.24 0.00 -0.00 0.00 0.00 178.16 178.17 2ksq n ASN 84 N -3.59 2.06 -4.72 0.00 4.13 -1.26 -4.90 115.26 106.98 2ksq n ASN 84 Ca 0.00 -2.62 -0.41 0.00 1.68 0.00 0.00 54.58 53.23 2ksq n ASN 84 Cb 0.30 -0.93 -0.04 0.00 -1.54 0.00 0.00 39.78 37.58 2ksq n ASN 84 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2ksq s THR 85 N 5.60 4.87 -0.13 3.41 -4.23 -1.25 -4.60 115.64 119.30 2ksq s THR 85 Ca 0.61 1.87 0.17 0.00 -1.18 0.00 0.00 61.69 63.15 2ksq s THR 85 Cb 0.15 -4.23 -0.10 0.00 1.34 0.00 0.00 72.50 69.65 2ksq s THR 85 CO 0.19 0.22 0.92 -0.33 -0.54 0.00 0.00 174.62 175.07 2ksq h GLU 86 N 6.58 0.00 -3.74 3.99 5.08 0.34 -3.41 114.58 123.41 2ksq h GLU 86 Ca -0.41 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 2ksq h GLU 86 Cb 1.21 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.37 2ksq h GLU 86 CO 0.74 0.30 -0.16 0.20 -1.00 0.00 0.00 179.01 179.09 2ksq s GLY 87 N -4.72 0.63 -0.09 -3.84 0.00 0.14 -2.79 107.32 96.66 2ksq s GLY 87 Ca -0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.71 2ksq s GLY 87 CO 0.80 -0.70 0.13 0.14 0.00 0.00 0.00 173.10 173.48 2ksq s VAL 88 N -4.01 -0.21 -0.59 1.40 1.01 0.78 -0.88 120.40 117.90 2ksq s VAL 88 Ca 0.24 0.31 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 2ksq s VAL 88 Cb -0.00 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.12 2ksq s VAL 88 CO 0.09 0.10 1.02 -0.63 0.00 0.00 0.00 175.10 175.69 2ksq s ILE 89 N 2.25 4.25 -0.26 2.22 1.01 0.41 0.13 121.20 131.21 2ksq s ILE 89 Ca 0.04 0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.78 2ksq s ILE 89 Cb -0.13 -4.63 -0.02 0.00 0.01 0.00 0.00 42.46 37.69 2ksq s ILE 89 CO -0.06 -1.28 0.57 -0.36 0.00 0.00 0.00 174.94 173.81 2ksq s PHE 90 N 4.31 3.28 -0.28 3.97 0.08 0.24 -2.86 117.98 126.72 2ksq s PHE 90 Ca 0.31 0.73 -0.12 0.00 0.12 0.00 0.00 56.93 57.98 2ksq s PHE 90 Cb -0.12 -2.78 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 2ksq s PHE 90 CO 0.18 -0.30 0.24 0.08 -0.10 0.00 0.00 175.22 175.33 2ksq s VAL 91 N 2.39 5.27 -0.11 -0.44 1.01 -1.11 -0.99 120.40 126.42 2ksq s VAL 91 Ca 0.24 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.48 2ksq s VAL 91 Cb -0.16 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2ksq s VAL 91 CO 0.09 0.20 -0.16 -0.69 0.00 0.00 0.00 175.10 174.54 2ksq s VAL 92 N 1.84 1.53 0.03 2.92 1.01 -1.16 -4.35 120.40 122.22 2ksq s VAL 92 Ca 0.09 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 2ksq s VAL 92 Cb -0.16 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 2ksq s VAL 92 CO 0.11 0.45 1.44 -1.81 0.00 0.00 0.00 175.10 175.29 2ksq s ASP 93 N 0.98 6.80 -0.01 3.32 1.11 -1.26 0.26 116.67 127.87 2ksq s ASP 93 Ca -0.07 2.22 0.03 0.00 0.18 0.00 0.00 52.55 54.91 2ksq s ASP 93 Cb -0.15 -2.57 -0.25 0.00 1.07 0.00 0.00 42.92 41.03 2ksq s ASP 93 CO -0.02 -0.74 0.80 0.28 1.18 0.00 0.00 175.17 176.68 2ksq h SER 94 N 7.75 0.21 0.18 0.27 0.02 -1.57 -3.32 113.55 117.10 2ksq h SER 94 Ca -0.39 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 2ksq h SER 94 Cb 1.19 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2ksq h SER 94 CO 0.90 1.29 0.00 -3.20 -1.14 0.00 0.00 176.83 174.68 2ksq n ASN 95 N -3.31 0.00 -4.03 3.07 2.85 -1.26 -4.19 115.26 108.38 2ksq n ASN 95 Ca -0.16 -0.66 -0.35 0.00 -0.11 0.00 0.00 54.58 53.30 2ksq n ASN 95 Cb 1.03 -0.10 -0.07 0.00 1.24 0.00 0.00 39.78 41.88 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 -1.10 4.11 0.22 1.20 -0.08 -1.25 -4.87 116.55 114.78 2ksq n ASP 96 Ca 0.19 -3.18 0.07 0.00 -1.51 0.00 0.00 54.79 50.37 2ksq n ASP 96 Cb 0.15 -0.99 0.50 0.00 2.34 0.00 0.00 41.12 43.11 2ksq n ASP 96 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2ksq h ARG 97 N 5.75 0.00 -0.55 -0.67 2.43 -1.85 -2.85 114.38 116.63 2ksq h ARG 97 Ca 0.17 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 2ksq h ARG 97 Cb 0.78 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 2ksq h ARG 97 CO 0.86 0.26 0.25 0.77 -1.51 0.00 0.00 179.97 180.60 2ksq h SER 98 N 0.00 0.33 0.02 -3.80 0.02 -1.97 -2.21 113.55 105.94 2ksq h SER 98 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2ksq h SER 98 Cb 0.58 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2ksq h SER 98 CO 0.03 0.22 -0.07 0.54 -1.14 0.00 0.00 176.83 176.41 2ksq n ARG 99 N -4.92 1.70 -0.14 3.45 3.00 -1.16 -4.47 116.66 114.11 2ksq n ARG 99 Ca 0.06 -1.17 0.27 0.00 -0.01 0.00 0.00 57.85 57.00 2ksq n ARG 99 Cb 0.19 -1.48 0.53 0.00 0.00 0.00 0.00 32.46 31.70 2ksq n ARG 99 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 2ksq h ILE 100 N 2.85 0.10 0.02 0.55 6.09 -1.16 0.91 117.51 126.87 2ksq h ILE 100 Ca 0.00 0.00 -0.23 0.00 -1.37 0.00 0.00 64.86 63.26 2ksq h ILE 100 Cb 0.65 0.18 -0.03 0.00 0.47 0.00 0.00 36.82 38.10 2ksq h ILE 100 CO 0.00 0.00 -1.09 1.23 -3.07 0.00 0.00 178.15 175.22 2ksq h GLY 101 N 0.00 0.05 0.80 8.18 0.00 -1.79 -3.04 103.07 107.26 2ksq h GLY 101 Ca 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2ksq h GLY 101 CO -0.00 0.10 0.02 0.83 0.00 0.00 0.00 176.54 177.49 2ksq h GLU 102 N 0.01 0.20 -0.60 4.80 4.39 0.54 0.33 114.58 124.25 2ksq h GLU 102 Ca -0.05 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.61 2ksq h GLU 102 Cb 1.82 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.41 2ksq h GLU 102 CO 0.14 0.39 0.39 0.00 -1.16 0.00 0.00 179.01 178.77 2ksq h ALA 103 N 0.80 0.77 -0.06 3.43 0.00 -1.61 0.18 119.26 122.77 2ksq h ALA 103 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ksq h ALA 103 Cb 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ksq h ALA 103 CO 0.00 0.16 -0.03 -0.09 0.00 0.00 0.00 179.25 179.30 2ksq h ARG 104 N 0.78 0.13 -0.76 0.00 2.43 -1.42 -2.71 114.38 112.84 2ksq h ARG 104 Ca 0.23 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2ksq h ARG 104 Cb -0.05 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2ksq h ARG 104 CO -0.07 0.50 0.36 1.49 -1.51 0.00 0.00 179.97 180.74 2ksq h GLU 105 N -0.25 1.09 -0.31 0.20 4.81 -0.15 -2.29 114.58 117.68 2ksq h GLU 105 Ca 0.01 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 2ksq h GLU 105 Cb 0.46 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2ksq h GLU 105 CO 0.01 0.84 -0.07 -0.39 -0.73 0.00 0.00 179.01 178.67 2ksq h VAL 106 N 1.08 1.21 -0.13 0.32 -1.51 -0.66 -2.85 116.25 113.73 2ksq h VAL 106 Ca 0.26 -0.90 -0.01 0.00 -1.23 0.00 0.00 66.70 64.82 2ksq h VAL 106 Cb 0.11 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 2ksq h VAL 106 CO -0.03 0.30 0.05 -0.03 -1.23 0.00 0.00 177.57 176.63 2ksq h MET 107 N 0.48 0.19 -0.88 5.19 1.85 -1.08 -2.74 114.93 117.94 2ksq h MET 107 Ca 0.10 -0.03 0.12 0.00 -0.61 0.00 0.00 59.70 59.28 2ksq h MET 107 Cb 0.41 -0.03 -0.09 0.00 0.43 0.00 0.00 31.60 32.33 2ksq h MET 107 CO 0.02 0.29 0.50 1.96 -0.40 0.00 0.00 176.91 179.28 2ksq h GLN 108 N 0.04 0.74 -0.72 0.39 1.08 -1.24 0.28 115.11 115.67 2ksq h GLN 108 Ca 0.04 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2ksq h GLN 108 Cb 0.17 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 2ksq h GLN 108 CO -0.00 0.49 0.38 0.00 -0.95 0.00 0.00 178.83 178.75 2ksq h ARG 109 N 0.76 1.01 0.01 1.46 3.08 -1.35 0.86 114.38 120.21 2ksq h ARG 109 Ca 0.45 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 2ksq h ARG 109 Cb 0.53 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2ksq h ARG 109 CO -0.30 0.75 -0.01 1.98 -1.07 0.00 0.00 179.97 181.33 2ksq h MET 110 N 1.01 -0.01 0.00 0.04 4.05 -0.65 -2.62 114.93 116.75 2ksq h MET 110 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.68 2ksq h MET 110 Cb 0.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2ksq h MET 110 CO -0.04 0.45 0.00 -0.07 0.23 0.00 0.00 176.91 177.49 2ksq h LEU 111 N -0.49 0.00 0.00 3.39 4.07 -0.27 -2.94 115.31 119.07 2ksq h LEU 111 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ksq h LEU 111 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2ksq h LEU 111 CO 0.00 0.00 -0.53 0.59 -1.08 0.00 0.00 178.44 177.42 2ksq n ASN 112 N -2.93 0.52 -4.73 -0.43 5.03 0.30 -4.82 115.26 108.20 2ksq n ASN 112 Ca 0.02 -0.18 -0.41 0.00 0.87 0.00 0.00 54.58 54.88 2ksq n ASN 112 Cb 0.35 0.24 -0.04 0.00 -1.02 0.00 0.00 39.78 39.31 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2ksq s GLU 113 N -3.03 4.68 0.36 3.52 0.41 -0.99 -4.94 118.70 118.70 2ksq s GLU 113 Ca 0.10 1.44 0.08 0.00 -0.41 0.00 0.00 54.97 56.18 2ksq s GLU 113 Cb 0.17 -3.38 0.67 0.00 -1.78 0.00 0.00 34.13 29.81 2ksq s GLU 113 CO 0.70 0.20 1.85 -0.44 -0.49 0.00 0.00 175.26 177.08 2ksq h ASP 114 N 5.66 0.25 0.62 -0.19 3.32 -1.90 -1.68 116.42 122.51 2ksq h ASP 114 Ca -0.43 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2ksq h ASP 114 Cb 1.21 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2ksq h ASP 114 CO 0.72 0.47 0.00 -0.62 -1.72 0.00 0.00 179.24 178.09 2ksq n GLU 115 N -4.20 0.04 -0.13 3.56 -0.58 -1.26 -2.82 120.64 115.26 2ksq n GLU 115 Ca -0.01 0.25 0.07 0.00 -0.42 0.00 0.00 57.16 57.06 2ksq n GLU 115 Cb 0.33 -1.57 0.10 0.00 -0.57 0.00 0.00 31.44 29.73 2ksq n GLU 115 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2ksq n LEU 116 N -1.65 1.91 0.00 -4.62 4.77 -0.66 -4.70 117.00 112.06 2ksq n LEU 116 Ca 0.04 -2.60 0.11 0.00 -0.03 0.00 0.00 56.01 53.53 2ksq n LEU 116 Cb 0.21 -0.31 0.59 0.00 -2.33 0.00 0.00 43.42 41.58 2ksq n LEU 116 CO 0.17 0.60 0.87 0.00 -1.33 0.00 0.00 177.39 177.70 2ksq n ASN 118 N -1.26 1.10 -4.88 0.00 5.03 -1.26 -5.00 115.26 108.99 2ksq n ASN 118 Ca 0.12 -1.05 -0.33 0.00 0.87 0.00 0.00 54.58 54.18 2ksq n ASN 118 Cb 0.17 0.49 -0.05 0.00 -1.02 0.00 0.00 39.78 39.37 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ksq s ALA 119 N -1.27 3.78 0.62 5.41 0.00 -1.09 -4.88 121.76 124.33 2ksq s ALA 119 Ca 0.07 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2ksq s ALA 119 Cb 0.07 -2.17 0.04 0.00 0.00 0.00 0.00 23.12 21.06 2ksq s ALA 119 CO 0.22 0.62 0.89 0.00 0.00 0.00 0.00 175.76 177.50 2ksq s ALA 120 N -1.49 3.48 -0.38 0.00 0.00 -1.12 -4.89 121.76 117.37 2ksq s ALA 120 Ca 0.35 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2ksq s ALA 120 Cb -0.13 -2.38 0.15 0.00 0.00 0.00 0.00 23.12 20.77 2ksq s ALA 120 CO 0.20 -0.99 0.32 -1.58 0.00 0.00 0.00 175.76 173.71 2ksq s TRP 121 N -3.00 0.37 -0.36 0.00 0.51 -1.01 -0.15 118.94 115.30 2ksq s TRP 121 Ca 0.58 -1.49 -0.22 0.00 -2.12 0.00 0.00 56.10 52.85 2ksq s TRP 121 Cb -0.11 -0.69 0.01 0.00 -0.81 0.00 0.00 33.47 31.87 2ksq s TRP 121 CO 0.42 -0.90 0.70 -1.17 -0.51 0.00 0.00 176.95 175.50 2ksq s LEU 122 N 0.93 4.20 0.02 2.99 0.20 0.35 -2.70 118.68 124.67 2ksq s LEU 122 Ca 0.22 0.25 -0.09 0.00 0.69 0.00 0.00 54.13 55.19 2ksq s LEU 122 Cb -0.13 -2.89 -0.05 0.00 -0.43 0.00 0.00 46.19 42.68 2ksq s LEU 122 CO -0.05 -0.65 0.33 -0.69 -0.29 0.00 0.00 176.35 174.99 2ksq s VAL 123 N 2.88 5.20 -0.18 1.68 1.01 0.34 0.83 120.40 132.15 2ksq s VAL 123 Ca 0.27 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 2ksq s VAL 123 Cb -0.14 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.69 2ksq s VAL 123 CO 0.16 0.39 0.05 -0.36 0.00 0.00 0.00 175.10 175.34 2ksq s PHE 124 N -1.28 0.80 -0.32 5.22 0.08 -0.17 -0.95 117.98 121.37 2ksq s PHE 124 Ca 0.28 -0.68 -0.27 0.00 0.12 0.00 0.00 56.93 56.37 2ksq s PHE 124 Cb -0.14 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.33 2ksq s PHE 124 CO 0.15 -0.57 2.22 0.00 -0.10 0.00 0.00 175.22 176.92 2ksq s ALA 125 N 1.93 2.40 0.69 5.36 0.00 0.30 -2.96 121.76 129.49 2ksq s ALA 125 Ca 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 2ksq s ALA 125 Cb -0.17 -4.16 0.01 0.00 0.00 0.00 0.00 23.12 18.81 2ksq s ALA 125 CO -0.08 -3.30 1.08 -0.80 0.00 0.00 0.00 175.76 172.66 2ksq s ASN 126 N 9.19 5.52 -1.92 0.00 0.02 0.14 -1.97 114.94 125.93 2ksq s ASN 126 Ca 0.96 1.13 0.00 0.00 -1.02 0.00 0.00 52.86 53.93 2ksq s ASN 126 Cb -0.27 -1.96 0.00 0.00 0.02 0.00 0.00 41.25 39.05 2ksq s ASN 126 CO 0.32 -1.28 0.00 0.29 0.02 0.00 0.00 177.10 176.44 2ksq n LYS 127 N -2.96 -1.26 0.26 -0.60 5.02 -1.26 -1.46 118.16 115.90 2ksq n LYS 127 Ca 0.07 1.13 0.12 0.00 -2.02 0.00 0.00 58.31 57.62 2ksq n LYS 127 Cb 0.57 -5.40 0.72 0.00 -0.02 0.00 0.00 35.03 30.90 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 -1.64 -1.91 115.11 119.28 2ksq h GLN 128 Ca -0.37 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.12 2ksq h GLN 128 Cb 1.18 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 2ksq h GLN 128 CO 0.54 0.12 -0.07 0.38 -2.65 0.00 0.00 178.83 177.15 2ksq h ASP 129 N 0.00 0.00 -3.46 -0.69 3.04 -1.89 -3.41 116.42 110.01 2ksq h ASP 129 Ca -0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 2ksq h ASP 129 Cb 0.32 0.00 0.08 0.00 -1.04 0.00 0.00 39.33 38.69 2ksq h ASP 129 CO 0.02 0.07 0.83 -0.76 -2.04 0.00 0.00 179.24 177.35 2ksq s LEU 130 N -6.59 4.35 0.51 0.15 1.02 -0.72 -4.87 118.68 112.53 2ksq s LEU 130 Ca -0.01 2.89 0.30 0.00 0.02 0.00 0.00 54.13 57.32 2ksq s LEU 130 Cb 0.11 -3.64 1.41 0.00 0.02 0.00 0.00 46.19 44.10 2ksq s LEU 130 CO 0.54 -0.84 1.84 -0.65 0.02 0.00 0.00 176.35 177.26 2ksq h PRO 131 N 4.54 0.10 -0.82 1.29 0.11 -1.89 0.45 132.00 135.78 2ksq h PRO 131 Ca -0.47 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 2ksq h PRO 131 Cb 1.22 -0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.16 2ksq h PRO 131 CO 0.76 0.06 0.32 0.39 -0.21 0.00 0.00 178.00 179.33 2ksq n GLU 132 N -4.32 3.35 -2.37 1.05 1.02 -1.26 -4.97 120.64 113.14 2ksq n GLU 132 Ca 0.22 -2.88 -0.41 0.00 -0.02 0.00 0.00 57.16 54.07 2ksq n GLU 132 Cb 1.03 -2.16 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ksq s ALA 133 N -2.88 3.44 1.05 0.62 0.00 0.16 -4.68 121.76 119.47 2ksq s ALA 133 Ca 0.52 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 53.30 2ksq s ALA 133 Cb 0.42 -3.43 0.22 0.00 0.00 0.00 0.00 23.12 20.33 2ksq s ALA 133 CO 0.12 -0.40 1.07 -1.64 0.00 0.00 0.00 175.76 174.91 2ksq s MET 134 N 0.12 0.04 0.55 0.00 -1.94 -1.26 -5.01 119.30 111.81 2ksq s MET 134 Ca 0.55 0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 55.22 2ksq s MET 134 Cb -0.32 -1.68 0.01 0.00 2.01 0.00 0.00 34.83 34.85 2ksq s MET 134 CO 0.35 -3.05 0.83 -1.12 -0.01 0.00 0.00 175.02 172.02 2ksq s SER 135 N -3.07 5.64 0.11 3.03 0.01 -1.26 -4.99 113.70 113.17 2ksq s SER 135 Ca 0.66 0.54 -0.16 0.00 1.31 0.00 0.00 55.95 58.31 2ksq s SER 135 Cb -0.21 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.37 2ksq s SER 135 CO 0.60 -0.96 1.52 0.00 0.41 0.00 0.00 173.24 174.81 2ksq h ALA 136 N 0.01 0.46 -0.13 1.44 0.00 -1.99 -2.95 119.26 116.09 2ksq h ALA 136 Ca -0.45 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.20 2ksq h ALA 136 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2ksq h ALA 136 CO 0.59 0.28 0.09 0.00 0.00 0.00 0.00 179.25 180.22 2ksq h ALA 137 N 0.82 2.02 -0.01 0.00 0.00 -1.99 -2.54 119.26 117.58 2ksq h ALA 137 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2ksq h ALA 137 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ksq h ALA 137 CO 0.03 -0.05 -0.11 0.93 0.00 0.00 0.00 179.25 180.05 2ksq h GLU 138 N 0.08 0.08 -0.65 0.00 3.07 -1.93 -2.76 114.58 112.47 2ksq h GLU 138 Ca 0.06 -0.08 0.08 0.00 -0.50 0.00 0.00 59.36 58.92 2ksq h GLU 138 Cb 0.13 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 2ksq h GLU 138 CO -0.01 0.82 0.43 0.82 -1.40 0.00 0.00 179.01 179.68 2ksq h ILE 139 N -0.62 0.96 0.03 3.13 1.08 -1.35 -2.33 117.51 118.40 2ksq h ILE 139 Ca -0.01 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2ksq h ILE 139 Cb 0.85 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 2ksq h ILE 139 CO 0.02 0.11 -0.01 0.74 -0.69 0.00 0.00 178.15 178.31 2ksq h THR 140 N 0.58 1.28 0.44 -0.27 2.02 -1.51 -2.75 112.91 112.70 2ksq h THR 140 Ca 0.29 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 2ksq h THR 140 Cb 0.39 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2ksq h THR 140 CO -0.09 0.25 -0.31 -0.08 0.37 0.00 0.00 175.52 175.67 2ksq h GLU 141 N -0.48 -0.70 -0.72 6.66 4.57 -1.16 -1.78 114.58 120.96 2ksq h GLU 141 Ca -0.00 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.33 2ksq h GLU 141 Cb 0.45 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 2ksq h GLU 141 CO 0.01 -0.47 0.48 -0.22 -1.18 0.00 0.00 179.01 177.63 2ksq h LYS 142 N -0.73 0.54 -0.00 1.92 1.63 -1.54 0.16 116.57 118.54 2ksq h LYS 142 Ca -0.05 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2ksq h LYS 142 Cb 0.61 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2ksq h LYS 142 CO 0.03 0.36 0.00 1.28 -3.45 0.00 0.00 179.45 177.66 2ksq n LEU 143 N -4.49 0.09 -2.46 5.20 4.77 -1.04 -4.88 117.00 114.19 2ksq n LEU 143 Ca 0.12 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 2ksq n LEU 143 Cb 0.39 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2ksq n LEU 143 CO 0.33 0.02 -0.23 0.61 -1.33 0.00 0.00 177.39 176.79 2ksq n GLY 144 N 0.92 -0.50 0.37 -0.72 0.00 0.55 -4.87 105.19 100.94 2ksq n GLY 144 Ca 0.19 0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.11 1.01 -0.79 0.99 5.85 -1.54 0.24 115.31 120.95 2ksq h LEU 145 Ca -0.46 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.11 2ksq h LEU 145 Cb 1.34 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2ksq h LEU 145 CO 0.54 0.70 -0.58 -0.74 -0.34 0.00 0.00 178.44 178.02 2ksq h HIS 146 N 1.18 0.09 0.00 1.25 2.76 -1.89 -2.87 115.15 115.66 2ksq h HIS 146 Ca 0.36 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 2ksq h HIS 146 Cb -0.02 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.93 2ksq h HIS 146 CO -0.00 0.63 -0.27 0.43 -1.30 0.00 0.00 177.93 177.43 2ksq n SER 147 N -3.86 0.47 -4.38 3.26 7.64 -0.72 -4.71 113.62 111.31 2ksq n SER 147 Ca -0.02 0.25 -0.41 0.00 1.01 0.00 0.00 58.87 59.71 2ksq n SER 147 Cb 0.59 -0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 63.44 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 -3.06 4.61 -0.09 0.44 1.01 -0.01 -4.89 121.20 119.21 2ksq s ILE 148 Ca 0.11 -0.82 0.19 0.00 0.00 0.00 0.00 60.65 60.13 2ksq s ILE 148 Cb 0.16 -3.56 0.42 0.00 0.01 0.00 0.00 42.46 39.49 2ksq s ILE 148 CO 0.63 -0.22 1.19 0.54 0.00 0.00 0.00 174.94 177.08 2ksq n ARG 149 N 5.01 0.70 -0.00 2.79 3.00 -1.26 -4.74 116.66 122.16 2ksq n ARG 149 Ca -0.12 -2.57 0.03 0.00 -0.01 0.00 0.00 57.85 55.19 2ksq n ARG 149 Cb 0.46 -0.72 -0.04 0.00 0.00 0.00 0.00 32.46 32.16 2ksq n ARG 149 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ksq n ASN 150 N -0.22 0.40 -3.82 0.55 3.02 -1.26 -4.99 115.26 108.94 2ksq n ASN 150 Ca 0.12 -0.65 -0.17 0.00 -0.03 0.00 0.00 54.58 53.85 2ksq n ASN 150 Cb 0.94 1.01 -0.16 0.00 -0.61 0.00 0.00 39.78 40.96 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 -1.68 0.31 -0.68 3.52 3.00 -1.26 -5.09 118.95 117.06 2ksq s ARG 151 Ca 0.03 0.07 -0.26 0.00 0.00 0.00 0.00 55.73 55.57 2ksq s ARG 151 Cb 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 34.95 34.47 2ksq s ARG 151 CO 0.29 -0.13 2.02 -1.25 0.00 0.00 0.00 175.30 176.22 2ksq s PRO 152 N 1.01 2.44 -0.02 3.54 0.04 -1.26 -4.92 135.00 135.82 2ksq s PRO 152 Ca -0.10 0.49 -0.08 0.00 0.04 0.00 0.00 61.00 61.35 2ksq s PRO 152 Cb -0.14 -4.63 0.01 0.00 0.04 0.00 0.00 34.50 29.78 2ksq s PRO 152 CO -0.02 -3.13 0.17 1.67 0.04 0.00 0.00 177.00 175.73 2ksq s TRP 153 N 10.31 -0.06 0.05 0.56 1.48 -1.26 -2.41 118.94 127.61 2ksq s TRP 153 Ca 0.75 0.11 0.00 0.00 -1.06 0.00 0.00 56.10 55.90 2ksq s TRP 153 Cb -0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 33.47 32.16 2ksq s TRP 153 CO 0.15 -0.23 -0.04 -0.06 -4.06 0.00 0.00 176.95 172.70 2ksq s PHE 154 N -0.89 0.52 -0.10 1.66 0.08 -1.10 -4.99 117.98 113.17 2ksq s PHE 154 Ca -0.10 -0.83 0.04 0.00 0.12 0.00 0.00 56.93 56.16 2ksq s PHE 154 Cb -0.05 -0.35 0.00 0.00 -0.57 0.00 0.00 43.02 42.04 2ksq s PHE 154 CO 0.01 -0.26 -0.23 0.96 -0.10 0.00 0.00 175.22 175.61 2ksq s ILE 155 N -2.91 2.00 -0.02 0.64 -5.25 -1.26 0.13 121.20 114.53 2ksq s ILE 155 Ca -0.01 -0.98 0.03 0.00 -0.99 0.00 0.00 60.65 58.71 2ksq s ILE 155 Cb 0.01 -1.74 -0.00 0.00 2.95 0.00 0.00 42.46 43.68 2ksq s ILE 155 CO -0.06 0.55 -0.10 -1.58 -1.79 0.00 0.00 174.94 171.96 2ksq s GLN 156 N 0.44 0.99 -0.29 0.37 2.00 -0.12 -4.96 119.66 118.09 2ksq s GLN 156 Ca -0.17 -0.36 -0.29 0.00 -2.00 0.00 0.00 55.36 52.54 2ksq s GLN 156 Cb -0.17 -0.93 0.01 0.00 0.80 0.00 0.00 33.01 32.72 2ksq s GLN 156 CO 0.07 0.17 1.06 0.00 -0.50 0.00 0.00 175.29 176.09 2ksq s ALA 157 N 0.02 3.56 0.16 1.58 0.00 -1.26 0.11 121.76 125.92 2ksq s ALA 157 Ca -0.00 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.01 2ksq s ALA 157 Cb -0.07 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 2ksq s ALA 157 CO 0.00 -1.35 -0.10 0.95 0.00 0.00 0.00 175.76 175.27 2ksq s THR 158 N 3.50 1.21 -0.28 0.00 -4.23 -0.83 -4.87 115.64 110.14 2ksq s THR 158 Ca 0.45 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 2ksq s THR 158 Cb -0.13 -1.89 0.09 0.00 1.34 0.00 0.00 72.50 71.90 2ksq s THR 158 CO 0.12 -0.71 0.05 0.00 -0.54 0.00 0.00 174.62 173.54 2ksq h ALA 160 N 8.00 0.65 -0.91 0.00 0.00 -1.92 0.88 119.26 125.95 2ksq h ALA 160 Ca -0.13 -0.66 0.18 0.00 0.00 0.00 0.00 54.91 54.30 2ksq h ALA 160 Cb 1.04 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 2ksq h ALA 160 CO 0.45 0.85 0.59 1.79 0.00 0.00 0.00 179.25 182.93 2ksq h THR 161 N 0.12 0.74 0.00 0.00 1.35 -1.98 -3.13 112.91 110.01 2ksq h THR 161 Ca -0.03 -0.19 -0.27 0.00 -0.55 0.00 0.00 66.41 65.38 2ksq h THR 161 Cb 1.35 0.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.86 2ksq h THR 161 CO 0.12 0.10 -1.97 -1.20 -0.25 0.00 0.00 175.52 172.32 2ksq n SER 162 N -4.57 2.27 0.00 5.36 7.64 -1.20 -4.79 113.62 118.34 2ksq n SER 162 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2ksq n SER 162 Cb 0.60 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 2.46 0.91 3.76 0.23 0.00 0.30 -4.92 105.19 107.92 2ksq n GLY 163 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.60 4.44 0.00 1.61 2.12 -1.11 -2.91 118.70 122.25 2ksq s GLU 164 Ca 0.00 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.38 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 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2ksq n GLY 165 N 1.43 2.99 0.29 -1.50 0.00 -1.26 -2.89 105.19 104.26 2ksq n GLY 165 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 2ksq n GLY 165 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksq h LEU 166 N 0.00 0.78 -0.54 0.99 7.12 -1.85 -2.80 115.31 119.02 2ksq h LEU 166 Ca 0.00 -0.17 -0.06 0.00 0.13 0.00 0.00 57.88 57.78 2ksq h LEU 166 Cb 0.00 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 39.90 2ksq h LEU 166 CO 0.00 0.82 0.12 1.88 -0.13 0.00 0.00 178.44 181.13 2ksq h TYR 167 N 0.78 0.92 -0.69 1.25 0.05 -1.89 -2.77 116.97 114.62 2ksq h TYR 167 Ca 0.16 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.85 2ksq h TYR 167 Cb 0.40 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 2ksq h TYR 167 CO 0.02 0.80 0.46 0.93 -1.05 0.00 0.00 178.16 179.32 2ksq h GLU 168 N 0.76 0.83 -0.37 4.88 3.07 -1.89 -2.65 114.58 119.21 2ksq h GLU 168 Ca 0.17 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 2ksq h GLU 168 Cb 0.36 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2ksq h GLU 168 CO 0.00 0.55 0.09 0.78 -1.40 0.00 0.00 179.01 179.03 2ksq h GLY 169 N 0.85 0.63 2.00 -3.84 0.00 -1.26 -2.21 103.07 99.24 2ksq h GLY 169 Ca 0.27 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 2ksq h GLY 169 CO -0.07 0.37 -0.23 -2.00 0.00 0.00 0.00 176.54 174.61 2ksq h LEU 170 N 0.44 0.00 -0.33 3.11 7.12 -1.38 -2.53 115.31 121.74 2ksq h LEU 170 Ca 0.11 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.93 2ksq h LEU 170 Cb 0.31 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 2ksq h LEU 170 CO 0.00 0.23 -0.83 -0.08 -0.13 0.00 0.00 178.44 177.63 2ksq h GLU 171 N 0.00 0.25 -0.24 1.25 4.81 -1.22 -2.92 114.58 116.51 2ksq h GLU 171 Ca -0.00 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 2ksq h GLU 171 Cb 0.45 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2ksq h GLU 171 CO 0.03 0.95 0.02 -1.49 -0.73 0.00 0.00 179.01 177.79 2ksq h TRP 172 N 0.15 0.43 -0.03 0.92 -0.00 -0.97 -2.68 115.95 113.78 2ksq h TRP 172 Ca -0.04 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.89 58.78 2ksq h TRP 172 Cb 1.44 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.16 30.48 2ksq h TRP 172 CO 0.03 0.55 0.01 1.25 -0.00 0.00 0.00 178.44 180.28 2ksq h LEU 173 N 0.20 0.03 -1.87 -4.49 6.46 -1.57 -2.63 115.31 111.44 2ksq h LEU 173 Ca 0.07 -0.15 0.15 0.00 -0.12 0.00 0.00 57.88 57.83 2ksq h LEU 173 Cb 0.36 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 2ksq h LEU 173 CO 0.01 0.17 0.41 -1.28 -0.62 0.00 0.00 178.44 177.13 2ksq h SER 174 N -0.10 0.13 0.48 1.25 0.87 -1.52 0.54 113.55 115.19 2ksq h SER 174 Ca 0.01 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 2ksq h SER 174 Cb 0.15 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2ksq h SER 174 CO -0.00 0.07 -0.69 -1.13 -0.53 0.00 0.00 176.83 174.55 2ksq h ASN 175 N 0.14 0.22 0.58 6.23 -1.24 -1.14 -2.14 115.58 118.22 2ksq h ASN 175 Ca 0.28 -0.14 -0.09 0.00 0.71 0.00 0.00 56.30 57.06 2ksq h ASN 175 Cb 0.93 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 2ksq h ASN 175 CO -0.04 0.84 -0.41 0.00 -1.29 0.00 0.00 177.43 176.53 2ksq n LEU 177 N -3.81 1.41 -0.30 0.00 4.77 -1.10 -4.49 117.00 113.48 2ksq n LEU 177 Ca -0.01 0.42 -0.02 0.00 -0.03 0.00 0.00 56.01 56.37 2ksq n LEU 177 Cb 0.47 -0.74 0.15 0.00 -2.33 0.00 0.00 43.42 40.98 2ksq n LEU 177 CO 0.38 -0.42 1.22 0.11 -1.33 0.00 0.00 177.39 177.36 2ksq h LYS 178 N -0.76 1.17 -6.99 3.23 1.79 -1.54 -3.47 116.57 110.00 2ksq h LYS 178 Ca 0.00 -0.10 -0.55 0.00 -2.18 0.00 0.00 60.65 57.82 2ksq h LYS 178 Cb 0.54 -0.25 -0.06 0.00 -1.58 0.00 0.00 32.23 30.89 2ksq h LYS 178 CO 0.00 0.82 -0.90 -1.71 -1.08 0.00 0.00 179.45 176.58 2ksq n ASN 179 N -4.37 -2.58 -3.66 0.86 5.15 -0.08 0.44 115.26 111.01 2ksq n ASN 179 Ca 0.10 -1.17 -0.25 0.00 -0.60 0.00 0.00 54.58 52.66 2ksq n ASN 179 Cb 0.06 -1.41 0.07 0.00 -0.53 0.00 0.00 39.78 37.97 2ksq n ASN 179 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2ksq n SER 180 N -1.96 -6.09 0.00 1.20 3.41 -1.26 -5.08 113.62 103.84 2ksq n SER 180 Ca -0.14 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 2ksq n SER 180 Cb 0.53 -4.82 0.00 0.00 -0.26 0.00 0.00 64.21 59.65 2ksq n SER 180 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23