#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 0.14 -0.15 0.99 5.85 -2.05 -2.48 115.31 117.61 2ksq h LEU 3 Ca 0.00 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 2ksq h LEU 3 Cb 0.00 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2ksq h LEU 3 CO 0.00 0.59 -0.17 0.15 -0.34 0.00 0.00 178.44 178.66 2ksq h PHE 4 N -0.31 0.46 0.32 1.25 3.57 -2.06 -2.97 116.94 117.21 2ksq h PHE 4 Ca 0.01 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2ksq h PHE 4 Cb 0.55 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 2ksq h PHE 4 CO 0.09 0.78 -0.44 0.00 -2.23 0.00 0.00 178.31 176.51 2ksq h ALA 5 N 0.60 -0.91 -0.86 2.41 0.00 -2.01 -1.81 119.26 116.68 2ksq h ALA 5 Ca 0.02 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.98 2ksq h ALA 5 Cb 0.72 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 2ksq h ALA 5 CO 0.04 -1.06 0.57 1.03 0.00 0.00 0.00 179.25 179.83 2ksq h SER 6 N -0.81 0.42 0.04 0.00 0.87 -1.53 -0.95 113.55 111.58 2ksq h SER 6 Ca -0.02 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2ksq h SER 6 Cb 0.76 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2ksq h SER 6 CO -0.13 0.19 -0.02 0.50 -0.53 0.00 0.00 176.83 176.83 2ksq h LYS 7 N 0.43 -0.05 -0.38 2.24 3.11 -1.21 -1.85 116.57 118.86 2ksq h LYS 7 Ca 0.44 0.00 0.11 0.00 -2.81 0.00 0.00 60.65 58.40 2ksq h LYS 7 Cb 1.05 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.27 2ksq h LYS 7 CO -0.16 0.14 0.30 -0.07 -2.81 0.00 0.00 179.45 176.85 2ksq h LEU 8 N -0.23 0.00 -0.28 5.20 4.07 -0.39 0.20 115.31 123.88 2ksq h LEU 8 Ca -0.01 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 2ksq h LEU 8 Cb 0.21 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 2ksq h LEU 8 CO 0.01 0.00 -0.85 0.15 -1.08 0.00 0.00 178.44 176.67 2ksq h PHE 9 N 0.00 0.00 -0.14 1.13 3.04 -0.94 -3.27 116.94 116.77 2ksq h PHE 9 Ca 0.18 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.99 2ksq h PHE 9 Cb 0.78 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 2ksq h PHE 9 CO 0.00 0.85 -0.52 0.77 -2.02 0.00 0.00 178.31 177.39 2ksq h SER 10 N 0.00 0.42 0.56 0.41 0.02 0.19 -2.94 113.55 112.21 2ksq h SER 10 Ca -0.01 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 2ksq h SER 10 Cb 1.52 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.94 2ksq h SER 10 CO 0.11 0.87 -0.07 -0.55 -1.14 0.00 0.00 176.83 176.05 2ksq h ASN 11 N 0.30 0.00 -1.01 3.07 7.08 -1.50 -3.00 115.58 120.52 2ksq h ASN 11 Ca 0.01 0.00 0.24 0.00 -3.08 0.00 0.00 56.30 53.47 2ksq h ASN 11 Cb 1.02 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 37.16 2ksq h ASN 11 CO 0.09 0.07 0.64 0.25 -2.08 0.00 0.00 177.43 176.40 2ksq h LEU 12 N 0.00 0.52 -3.78 6.14 6.46 -1.62 0.72 115.31 123.75 2ksq h LEU 12 Ca -0.00 0.08 -0.45 0.00 -0.12 0.00 0.00 57.88 57.39 2ksq h LEU 12 Cb 0.36 -0.00 -0.25 0.00 -0.73 0.00 0.00 40.66 40.04 2ksq h LEU 12 CO 0.01 0.13 0.35 2.22 -0.62 0.00 0.00 178.44 180.53 2ksq n PHE 13 N -4.65 2.48 0.00 1.25 1.16 -1.13 -4.51 117.46 112.05 2ksq n PHE 13 Ca 0.24 -2.07 0.00 0.00 -1.87 0.00 0.00 57.45 53.75 2ksq n PHE 13 Cb 0.79 -0.87 0.00 0.00 -1.61 0.00 0.00 39.48 37.79 2ksq n PHE 13 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2ksq n GLY 14 N -1.06 0.02 3.83 4.97 0.00 0.11 -5.10 105.19 107.96 2ksq n GLY 14 Ca 0.51 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 2ksq n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ksq s ASN 15 N -2.81 5.53 0.00 1.61 3.84 0.21 -3.73 114.94 119.59 2ksq s ASN 15 Ca 0.00 1.52 0.00 0.00 0.21 0.00 0.00 52.86 54.59 2ksq s ASN 15 Cb 0.00 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 2ksq s ASN 15 CO 0.00 -1.34 0.00 1.17 -2.79 0.00 0.00 177.10 174.14 2ksq n LYS 16 N -3.05 -0.22 -3.78 0.43 4.81 -1.26 -4.92 118.16 110.16 2ksq n LYS 16 Ca 0.07 0.06 -0.20 0.00 -0.87 0.00 0.00 58.31 57.36 2ksq n LYS 16 Cb 0.54 -3.18 -0.17 0.00 0.02 0.00 0.00 35.03 32.24 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 -0.31 0.31 0.02 1.64 2.02 -1.24 -1.51 118.70 119.62 2ksq s GLU 17 Ca 0.00 0.19 0.07 0.00 0.02 0.00 0.00 54.97 55.25 2ksq s GLU 17 Cb 0.00 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.51 2ksq s GLU 17 CO 0.00 -0.27 -0.22 -1.64 0.02 0.00 0.00 175.26 173.16 2ksq s MET 18 N 1.78 2.06 -0.18 1.61 -1.94 -1.06 -4.91 119.30 116.66 2ksq s MET 18 Ca 0.01 -0.97 -0.07 0.00 -1.71 0.00 0.00 55.69 52.95 2ksq s MET 18 Cb -0.13 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 2ksq s MET 18 CO -0.04 0.55 0.05 1.03 -0.01 0.00 0.00 175.02 176.61 2ksq s ARG 19 N -1.11 3.95 0.15 2.03 1.81 -1.26 -1.88 118.95 122.63 2ksq s ARG 19 Ca 0.12 -0.35 0.07 0.00 -1.72 0.00 0.00 55.73 53.85 2ksq s ARG 19 Cb -0.10 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 31.17 2ksq s ARG 19 CO 0.02 0.28 -0.16 0.42 -0.68 0.00 0.00 175.30 175.18 2ksq s ILE 20 N 0.35 1.58 0.01 1.52 -1.09 0.30 0.43 121.20 124.30 2ksq s ILE 20 Ca 0.03 -1.85 0.03 0.00 -2.23 0.00 0.00 60.65 56.63 2ksq s ILE 20 Cb -0.12 -1.72 -0.01 0.00 -1.58 0.00 0.00 42.46 39.03 2ksq s ILE 20 CO 0.00 -0.39 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.02 2ksq s LEU 21 N -2.62 2.07 -0.19 2.97 0.20 -0.02 -2.64 118.68 118.44 2ksq s LEU 21 Ca 0.13 -0.24 0.00 0.00 0.69 0.00 0.00 54.13 54.71 2ksq s LEU 21 Cb -0.05 -0.43 0.04 0.00 -0.43 0.00 0.00 46.19 45.33 2ksq s LEU 21 CO 0.05 0.06 -0.08 -0.04 -0.29 0.00 0.00 176.35 176.04 2ksq s MET 22 N -0.49 1.82 0.38 1.98 -1.94 0.12 0.13 119.30 121.30 2ksq s MET 22 Ca 0.02 -0.72 -0.08 0.00 -1.71 0.00 0.00 55.69 53.19 2ksq s MET 22 Cb -0.05 -2.27 0.03 0.00 2.01 0.00 0.00 34.83 34.56 2ksq s MET 22 CO -0.00 -0.43 0.64 1.33 -0.01 0.00 0.00 175.02 176.55 2ksq n VAL 23 N 4.75 0.00 0.00 -6.03 0.24 -1.02 -2.13 118.33 114.15 2ksq n VAL 23 Ca -0.14 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 60.70 2ksq n VAL 23 Cb 0.47 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 2ksq n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ksq n GLY 24 N -0.57 0.31 3.89 7.63 0.00 -1.26 -2.73 105.19 112.46 2ksq n GLY 24 Ca -0.04 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 3.73 0.00 0.99 1.02 -1.26 -4.04 118.68 119.13 2ksq s LEU 25 Ca 0.00 1.03 0.27 0.00 0.02 0.00 0.00 54.13 55.44 2ksq s LEU 25 Cb 0.00 -3.94 1.55 0.00 0.02 0.00 0.00 46.19 43.82 2ksq s LEU 25 CO 0.00 -0.48 1.94 -0.67 0.02 0.00 0.00 176.35 177.16 2ksq n ASP 26 N -1.76 0.00 0.00 2.29 -0.08 -1.25 -3.39 116.55 112.36 2ksq n ASP 26 Ca 0.01 -0.70 0.00 0.00 -1.51 0.00 0.00 54.79 52.60 2ksq n ASP 26 Cb 0.54 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ksq n GLY 27 N 0.73 -0.28 0.11 0.27 0.00 -1.26 -4.83 105.19 99.93 2ksq n GLY 27 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.18 0.00 4.61 0.00 -1.82 -3.46 119.26 118.42 2ksq h ALA 28 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ksq h ALA 28 Cb 0.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 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 -0.66 1.66 0.36 0.00 0.00 -1.26 -4.59 105.19 100.69 2ksq n GLY 29 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 0.80 -0.25 1.61 2.10 -1.92 -1.62 116.57 117.29 2ksq h LYS 30 Ca 0.00 -0.05 -0.16 0.00 -2.00 0.00 0.00 60.65 58.44 2ksq h LYS 30 Cb 0.00 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.14 2ksq h LYS 30 CO 0.00 0.53 -0.49 1.15 -2.00 0.00 0.00 179.45 178.64 2ksq h THR 31 N 0.82 1.30 -0.14 0.07 2.02 -1.95 -2.56 112.91 112.47 2ksq h THR 31 Ca 0.34 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2ksq h THR 31 Cb 0.27 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2ksq h THR 31 CO -0.12 0.54 0.06 0.74 0.37 0.00 0.00 175.52 177.11 2ksq h THR 32 N 0.53 1.14 0.09 3.16 2.02 -1.70 -2.76 112.91 115.40 2ksq h THR 32 Ca 0.03 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 2ksq h THR 32 Cb 1.04 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2ksq h THR 32 CO 0.10 0.13 -0.04 0.58 0.37 0.00 0.00 175.52 176.66 2ksq h VAL 33 N 0.09 1.11 -0.99 3.16 2.07 -1.49 -2.61 116.25 117.60 2ksq h VAL 33 Ca 0.05 -0.81 0.21 0.00 0.82 0.00 0.00 66.70 66.96 2ksq h VAL 33 Cb 0.15 1.63 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 2ksq h VAL 33 CO -0.00 0.20 0.62 0.25 0.02 0.00 0.00 177.57 178.65 2ksq h LEU 34 N -0.50 0.64 -0.24 2.57 6.46 -1.51 0.16 115.31 122.89 2ksq h LEU 34 Ca -0.01 0.08 -0.20 0.00 -0.12 0.00 0.00 57.88 57.63 2ksq h LEU 34 Cb 0.42 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 2ksq h LEU 34 CO 0.02 0.21 -0.90 1.88 -0.62 0.00 0.00 178.44 179.03 2ksq h TYR 35 N 0.61 0.21 -0.15 1.25 0.05 -1.49 -1.91 116.97 115.55 2ksq h TYR 35 Ca 0.56 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 59.16 2ksq h TYR 35 Cb 1.07 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.79 2ksq h TYR 35 CO -0.00 0.96 -0.12 -0.22 -1.05 0.00 0.00 178.16 177.73 2ksq h LYS 36 N 0.07 0.34 -0.01 4.88 1.63 -0.62 0.68 116.57 123.55 2ksq h LYS 36 Ca -0.04 -0.17 -0.17 0.00 -0.85 0.00 0.00 60.65 59.42 2ksq h LYS 36 Cb 1.55 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.17 2ksq h LYS 36 CO 0.13 0.71 -0.78 1.25 -3.45 0.00 0.00 179.45 177.32 2ksq h LEU 37 N -0.02 0.16 0.19 5.20 6.46 -1.31 0.89 115.31 126.87 2ksq h LEU 37 Ca 0.03 -0.12 -0.30 0.00 -0.12 0.00 0.00 57.88 57.37 2ksq h LEU 37 Cb 0.64 -0.05 0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2ksq h LEU 37 CO 0.03 0.87 -1.39 0.50 -0.62 0.00 0.00 178.44 177.84 2ksq h LYS 38 N 0.08 0.40 0.00 1.25 3.11 -1.34 -3.38 116.57 116.69 2ksq h LYS 38 Ca -0.02 -0.68 0.00 0.00 -2.81 0.00 0.00 60.65 57.14 2ksq h LYS 38 Cb 1.36 0.25 0.00 0.00 -1.00 0.00 0.00 32.23 32.84 2ksq h LYS 38 CO 0.11 1.33 -1.28 -0.11 -2.81 0.00 0.00 179.45 176.68 2ksq n LEU 39 N -3.82 0.53 0.00 5.20 0.00 0.24 -4.92 117.00 114.23 2ksq n LEU 39 Ca -0.20 -0.30 0.00 0.00 0.00 0.00 0.00 56.01 55.51 2ksq n LEU 39 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.42 2ksq n LEU 39 CO 0.52 0.13 0.00 0.61 0.00 0.00 0.00 177.39 178.65 2ksq n GLY 40 N 1.43 1.38 2.93 -3.96 0.00 0.31 -4.98 105.19 102.30 2ksq n GLY 40 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.09 0.18 -0.01 1.61 2.12 -1.24 -4.96 118.70 116.31 2ksq s GLU 41 Ca 0.00 -0.33 -0.28 0.00 0.36 0.00 0.00 54.97 54.72 2ksq s GLU 41 Cb 0.00 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 2ksq s GLU 41 CO 0.00 -0.02 0.88 0.08 -0.54 0.00 0.00 175.26 175.66 2ksq s VAL 42 N -0.77 4.90 0.46 3.70 1.01 -1.26 -4.16 120.40 124.28 2ksq s VAL 42 Ca -0.08 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.77 2ksq s VAL 42 Cb -0.05 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2ksq s VAL 42 CO -0.00 0.21 0.03 0.27 0.00 0.00 0.00 175.10 175.60 2ksq s ILE 43 N 0.84 1.25 -0.19 2.22 -0.00 -1.26 -5.08 121.20 118.98 2ksq s ILE 43 Ca 0.46 -2.00 -0.29 0.00 -0.00 0.00 0.00 60.65 58.83 2ksq s ILE 43 Cb -0.20 -2.43 -0.04 0.00 -0.00 0.00 0.00 42.46 39.79 2ksq s ILE 43 CO 0.25 0.00 1.86 0.42 -0.00 0.00 0.00 174.94 177.47 2ksq s THR 44 N -2.93 3.37 0.12 8.37 -4.23 -1.26 -4.98 115.64 114.10 2ksq s THR 44 Ca 0.18 0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 61.08 2ksq s THR 44 Cb 0.04 -3.40 -0.05 0.00 1.34 0.00 0.00 72.50 70.44 2ksq s THR 44 CO 0.09 -0.19 0.32 -0.89 -0.54 0.00 0.00 174.62 173.41 2ksq s THR 45 N 6.12 5.26 0.16 3.99 2.01 -1.26 -5.11 115.64 126.81 2ksq s THR 45 Ca 0.83 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.52 2ksq s THR 45 Cb -0.30 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2ksq s THR 45 CO 0.34 0.03 0.27 0.27 -0.69 0.00 0.00 174.62 174.83 2ksq s ILE 46 N -1.65 0.07 -0.16 1.82 -4.36 -1.26 -5.11 121.20 110.56 2ksq s ILE 46 Ca 0.38 -1.37 -0.31 0.00 -0.26 0.00 0.00 60.65 59.10 2ksq s ILE 46 Cb -0.12 -1.79 -0.08 0.00 1.25 0.00 0.00 42.46 41.72 2ksq s ILE 46 CO 0.27 -0.34 2.10 -2.65 0.24 0.00 0.00 174.94 174.56 2ksq n PRO 47 N -0.20 2.07 -2.70 0.37 -0.02 -1.26 -4.92 135.00 128.34 2ksq n PRO 47 Ca -0.08 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 2ksq n PRO 47 Cb 0.63 -2.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.14 2ksq n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2ksq s THR 48 N 6.47 4.69 -1.02 3.45 -4.23 -1.26 -4.97 115.64 118.78 2ksq s THR 48 Ca 0.98 1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 63.37 2ksq s THR 48 Cb -0.51 -4.29 0.30 0.00 1.34 0.00 0.00 72.50 69.34 2ksq s THR 48 CO 0.42 -0.19 1.35 -0.38 -0.54 0.00 0.00 174.62 175.28 2ksq n ILE 49 N 5.37 4.86 0.00 2.99 2.08 -1.26 -4.11 119.36 129.29 2ksq n ILE 49 Ca 0.11 -5.81 0.00 0.00 0.56 0.00 0.00 62.75 57.61 2ksq n ILE 49 Cb 0.46 -2.11 0.00 0.00 -0.75 0.00 0.00 39.64 37.25 2ksq n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2ksq n GLY 50 N 1.32 0.11 3.09 7.39 0.00 -1.26 -5.01 105.19 110.83 2ksq n GLY 50 Ca 0.26 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.09 0.65 -0.17 1.61 -0.12 -1.26 -0.46 117.98 117.15 2ksq s PHE 51 Ca 0.00 -0.75 -0.04 0.00 -0.05 0.00 0.00 56.93 56.09 2ksq s PHE 51 Cb 0.00 -0.40 0.08 0.00 -0.63 0.00 0.00 43.02 42.07 2ksq s PHE 51 CO 0.00 -0.18 0.22 1.21 -0.05 0.00 0.00 175.22 176.43 2ksq s ASN 52 N -2.29 1.06 0.35 1.98 3.84 -0.37 -4.91 114.94 114.60 2ksq s ASN 52 Ca -0.01 0.03 -0.16 0.00 0.21 0.00 0.00 52.86 52.94 2ksq s ASN 52 Cb -0.02 0.44 -0.09 0.00 -0.55 0.00 0.00 41.25 41.03 2ksq s ASN 52 CO -0.03 -0.30 0.78 0.54 -2.79 0.00 0.00 177.10 175.30 2ksq s VAL 53 N 2.34 4.61 -0.06 -5.21 0.11 -1.26 0.16 120.40 121.09 2ksq s VAL 53 Ca 0.05 1.07 -0.03 0.00 -2.93 0.00 0.00 61.98 60.14 2ksq s VAL 53 Cb -0.14 -3.61 0.04 0.00 -1.53 0.00 0.00 36.38 31.13 2ksq s VAL 53 CO -0.10 -0.22 0.07 -1.61 -3.33 0.00 0.00 175.10 169.91 2ksq s GLU 54 N -3.03 -0.05 -0.44 1.54 8.01 -0.52 -4.94 118.70 119.26 2ksq s GLU 54 Ca 0.56 0.33 -0.22 0.00 0.01 0.00 0.00 54.97 55.65 2ksq s GLU 54 Cb -0.10 -0.68 0.02 0.00 -4.31 0.00 0.00 34.13 29.07 2ksq s GLU 54 CO 0.16 -0.38 0.74 0.00 0.01 0.00 0.00 175.26 175.79 2ksq s VAL 56 N 3.12 1.19 -0.16 0.00 0.11 -0.93 -5.04 120.40 118.70 2ksq s VAL 56 Ca 0.27 -0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 58.62 2ksq s VAL 56 Cb -0.13 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2ksq s VAL 56 CO 0.21 0.33 0.02 -1.58 -3.33 0.00 0.00 175.10 170.75 2ksq s GLN 57 N -0.37 3.72 -0.13 1.54 -0.44 -1.26 -0.72 119.66 121.99 2ksq s GLN 57 Ca 0.06 -0.41 -0.05 0.00 -2.50 0.00 0.00 55.36 52.46 2ksq s GLN 57 Cb -0.06 -3.05 0.06 0.00 -1.64 0.00 0.00 33.01 28.32 2ksq s GLN 57 CO -0.01 0.34 0.28 -0.47 0.50 0.00 0.00 175.29 175.94 2ksq s TYR 58 N 0.14 -0.44 -1.39 1.67 5.04 0.49 -4.90 117.35 117.96 2ksq s TYR 58 Ca 0.02 0.99 -0.09 0.00 -2.44 0.00 0.00 57.07 55.55 2ksq s TYR 58 Cb -0.13 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.25 2ksq s TYR 58 CO 0.01 -0.33 1.08 0.00 -1.34 0.00 0.00 175.55 174.97 2ksq n ASN 60 N -2.98 0.00 -4.90 0.00 5.15 -1.26 -5.00 115.26 106.27 2ksq n ASN 60 Ca -0.03 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.70 2ksq n ASN 60 Cb 0.57 -0.60 -0.04 0.00 -0.53 0.00 0.00 39.78 39.18 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2ksq s ILE 61 N -3.26 4.99 -0.69 -1.44 1.01 -0.14 -4.86 121.20 116.82 2ksq s ILE 61 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 2ksq s ILE 61 Cb 0.00 -3.60 0.18 0.00 0.01 0.00 0.00 42.46 39.04 2ksq s ILE 61 CO 0.00 -0.17 0.53 -0.44 0.00 0.00 0.00 174.94 174.86 2ksq s SER 62 N -3.40 5.57 -0.17 3.58 0.01 -0.57 -0.38 113.70 118.35 2ksq s SER 62 Ca 0.33 -2.90 -0.28 0.00 1.31 0.00 0.00 55.95 54.41 2ksq s SER 62 Cb -0.10 -1.93 -0.00 0.00 0.21 0.00 0.00 66.02 64.20 2ksq s SER 62 CO 0.27 -0.39 0.98 -0.36 0.41 0.00 0.00 173.24 174.14 2ksq s PHE 63 N -0.14 3.42 -0.33 2.43 0.08 0.10 -2.55 117.98 121.00 2ksq s PHE 63 Ca 0.18 1.46 -0.10 0.00 0.12 0.00 0.00 56.93 58.59 2ksq s PHE 63 Cb -0.17 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 2ksq s PHE 63 CO -0.05 -0.33 0.17 0.99 -0.10 0.00 0.00 175.22 175.91 2ksq s THR 64 N 2.50 4.63 -0.33 0.64 2.01 -0.79 -2.18 115.64 122.12 2ksq s THR 64 Ca 0.44 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 2ksq s THR 64 Cb -0.17 -3.42 0.05 0.00 0.01 0.00 0.00 72.50 68.97 2ksq s THR 64 CO 0.12 -0.02 0.06 0.68 -0.69 0.00 0.00 174.62 174.78 2ksq s VAL 65 N 1.60 3.32 -0.18 3.82 -7.23 -0.86 0.11 120.40 120.98 2ksq s VAL 65 Ca 0.04 -1.37 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 2ksq s VAL 65 Cb -0.18 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 2ksq s VAL 65 CO 0.07 -0.20 0.33 0.26 -0.31 0.00 0.00 175.10 175.24 2ksq s TRP 66 N 1.30 3.42 -0.42 2.82 0.52 -1.08 -1.44 118.94 124.06 2ksq s TRP 66 Ca -0.02 0.59 -0.09 0.00 0.02 0.00 0.00 56.10 56.59 2ksq s TRP 66 Cb -0.20 -2.41 0.08 0.00 -1.15 0.00 0.00 33.47 29.79 2ksq s TRP 66 CO 0.00 0.14 0.26 0.34 0.02 0.00 0.00 176.95 177.70 2ksq s ASP 67 N 0.72 5.64 -0.02 2.95 2.15 0.12 0.12 116.67 128.36 2ksq s ASP 67 Ca 0.17 -1.49 -0.07 0.00 0.43 0.00 0.00 52.55 51.59 2ksq s ASP 67 Cb -0.14 -1.99 -0.05 0.00 -0.30 0.00 0.00 42.92 40.45 2ksq s ASP 67 CO 0.06 -0.53 0.25 -0.69 -0.17 0.00 0.00 175.17 174.08 2ksq s VAL 68 N 1.43 5.33 0.18 1.11 1.01 -0.90 -1.23 120.40 127.32 2ksq s VAL 68 Ca 0.03 0.20 -0.33 0.00 0.00 0.00 0.00 61.98 61.88 2ksq s VAL 68 Cb -0.23 -3.54 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 2ksq s VAL 68 CO 0.02 0.43 1.33 0.61 0.00 0.00 0.00 175.10 177.49 2ksq n GLY 69 N 1.32 0.50 0.08 4.51 0.00 0.40 -4.59 105.19 107.41 2ksq n GLY 69 Ca -0.13 0.56 0.13 0.00 0.00 0.00 0.00 46.02 46.58 2ksq n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksq n GLY 70 N 2.34 -1.07 3.48 -0.02 0.00 -1.26 -4.45 105.19 104.20 2ksq n GLY 70 Ca 0.15 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2ksq n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksq n GLN 71 N -1.21 -1.10 0.05 1.61 0.00 -1.26 -3.91 117.38 111.55 2ksq n GLN 71 Ca 0.09 -0.28 -0.12 0.00 -0.00 0.00 0.00 57.00 56.68 2ksq n GLN 71 Cb 0.33 -2.05 -0.07 0.00 0.00 0.00 0.00 30.24 28.45 2ksq n GLN 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2ksq h ASP 72 N -2.02 -0.02 -0.13 1.69 3.32 -1.94 -0.14 116.42 117.18 2ksq h ASP 72 Ca -0.49 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.57 2ksq h ASP 72 Cb 1.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 2ksq h ASP 72 CO 0.40 0.01 0.14 0.03 -1.72 0.00 0.00 179.24 178.11 2ksq h ARG 73 N -0.05 0.00 0.00 3.56 2.47 -1.97 0.19 114.38 118.59 2ksq h ARG 73 Ca -0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 2ksq h ARG 73 Cb 0.04 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 2ksq h ARG 73 CO 0.00 0.00 -1.02 0.82 0.56 0.00 0.00 179.97 180.34 2ksq h ILE 74 N 0.00 0.53 -0.98 2.04 1.08 -1.60 -3.37 117.51 115.21 2ksq h ILE 74 Ca 0.06 -1.90 0.34 0.00 -0.39 0.00 0.00 64.86 62.97 2ksq h ILE 74 Cb 0.35 2.09 -0.17 0.00 -3.07 0.00 0.00 36.82 36.02 2ksq h ILE 74 CO -0.00 0.30 0.40 -0.09 -0.69 0.00 0.00 178.15 178.07 2ksq h ARG 75 N 0.00 0.10 -0.39 2.37 2.43 0.86 0.49 114.38 120.24 2ksq h ARG 75 Ca -0.08 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 2ksq h ARG 75 Cb 1.42 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 2ksq h ARG 75 CO 0.04 0.07 -0.25 1.03 -1.51 0.00 0.00 179.97 179.35 2ksq h SER 76 N 0.10 0.82 0.00 -3.80 0.87 -1.73 -2.80 113.55 107.01 2ksq h SER 76 Ca 0.73 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 2ksq h SER 76 Cb 1.75 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2ksq h SER 76 CO -0.75 1.03 0.02 -0.07 -0.53 0.00 0.00 176.83 176.53 2ksq h LEU 77 N 0.69 0.00 -2.26 2.23 4.07 -0.24 -2.32 115.31 117.48 2ksq h LEU 77 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2ksq h LEU 77 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2ksq h LEU 77 CO 0.06 0.00 0.04 -0.50 -1.08 0.00 0.00 178.44 176.96 2ksq h TRP 78 N 0.00 0.00 -0.25 1.13 6.55 -1.36 -0.48 115.95 121.54 2ksq h TRP 78 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2ksq h TRP 78 Cb 0.04 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 2ksq h TRP 78 CO 0.00 0.00 0.00 2.89 -1.05 0.00 0.00 178.44 180.28 2ksq n ARG 79 N -2.72 2.16 -0.06 0.49 1.85 -0.87 -3.56 116.66 113.94 2ksq n ARG 79 Ca -0.02 -1.15 0.07 0.00 -1.00 0.00 0.00 57.85 55.75 2ksq n ARG 79 Cb 0.09 -1.55 0.11 0.00 -1.05 0.00 0.00 32.46 30.05 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 0.29 0.03 0.18 2.89 -0.00 -0.19 -4.73 115.22 113.70 2ksq n HIS 80 Ca 0.10 -0.86 0.18 0.00 0.46 0.00 0.00 57.72 57.61 2ksq n HIS 80 Cb 0.46 -0.13 0.75 0.00 -0.12 0.00 0.00 29.99 30.95 2ksq n HIS 80 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2ksq h TYR 81 N 0.07 0.00 0.00 1.57 0.05 -1.74 -3.45 116.97 113.47 2ksq h TYR 81 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2ksq h TYR 81 Cb 0.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.61 2ksq h TYR 81 CO 0.01 0.00 0.00 0.98 -1.05 0.00 0.00 178.16 178.10 2ksq n TYR 82 N -3.36 0.00 -2.63 4.88 4.19 -1.26 -4.68 117.16 114.29 2ksq n TYR 82 Ca 0.04 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.25 2ksq n TYR 82 Cb 0.56 -0.68 0.00 0.00 0.49 0.00 0.00 39.34 39.71 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2ksq n ASN 84 N 2.33 0.00 -4.67 0.00 0.23 -1.26 -5.12 115.26 106.76 2ksq n ASN 84 Ca 0.00 0.00 -0.44 0.00 -0.53 0.00 0.00 54.58 53.61 2ksq n ASN 84 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2ksq n ASN 84 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2ksq n THR 85 N -0.01 0.61 0.03 5.53 -2.24 -1.26 -4.57 114.28 112.37 2ksq n THR 85 Ca 0.00 -0.11 -0.05 0.00 -2.27 0.00 0.00 64.05 61.62 2ksq n THR 85 Cb 0.00 -2.13 -0.10 0.00 -2.10 0.00 0.00 70.33 66.00 2ksq n THR 85 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2ksq h GLU 86 N 9.63 0.00 -3.30 -0.78 4.57 -0.36 -3.44 114.58 120.90 2ksq h GLU 86 Ca -0.49 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.52 2ksq h GLU 86 Cb 1.25 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 29.59 2ksq h GLU 86 CO 0.94 0.55 -0.49 0.20 -1.18 0.00 0.00 179.01 179.03 2ksq s GLY 87 N -4.85 -0.11 0.18 1.92 0.00 -0.59 -2.98 107.32 100.88 2ksq s GLY 87 Ca -0.02 0.43 0.06 0.00 0.00 0.00 0.00 44.72 45.19 2ksq s GLY 87 CO 0.81 0.34 0.13 0.14 0.00 0.00 0.00 173.10 174.52 2ksq s VAL 88 N -0.16 4.36 -0.31 1.40 1.01 -0.85 -0.84 120.40 125.01 2ksq s VAL 88 Ca -0.03 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.78 2ksq s VAL 88 Cb -0.02 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.20 2ksq s VAL 88 CO 0.01 -0.15 0.04 -0.63 0.00 0.00 0.00 175.10 174.36 2ksq s ILE 89 N -1.82 1.71 -0.22 2.22 1.01 0.35 0.59 121.20 125.05 2ksq s ILE 89 Ca 0.31 -1.82 -0.22 0.00 0.00 0.00 0.00 60.65 58.92 2ksq s ILE 89 Cb -0.10 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 2ksq s ILE 89 CO 0.23 -0.50 0.72 0.12 0.00 0.00 0.00 174.94 175.51 2ksq s PHE 90 N 1.22 3.34 -0.28 3.97 5.36 0.31 -2.43 117.98 129.46 2ksq s PHE 90 Ca 0.06 1.01 -0.13 0.00 -0.96 0.00 0.00 56.93 56.91 2ksq s PHE 90 Cb -0.18 -2.92 -0.04 0.00 -0.34 0.00 0.00 43.02 39.54 2ksq s PHE 90 CO -0.13 -0.29 0.27 0.08 -1.46 0.00 0.00 175.22 173.69 2ksq s VAL 91 N 2.38 5.25 -0.15 3.12 1.01 -1.10 -0.74 120.40 130.17 2ksq s VAL 91 Ca 0.31 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.62 2ksq s VAL 91 Cb -0.16 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2ksq s VAL 91 CO 0.09 0.19 -0.18 -0.69 0.00 0.00 0.00 175.10 174.52 2ksq s VAL 92 N 1.89 1.80 0.17 2.92 1.01 -1.15 -4.01 120.40 123.03 2ksq s VAL 92 Ca 0.10 -0.79 -0.32 0.00 0.00 0.00 0.00 61.98 60.98 2ksq s VAL 92 Cb -0.16 -1.64 -0.11 0.00 0.00 0.00 0.00 36.38 34.47 2ksq s VAL 92 CO 0.11 0.50 1.74 -0.62 0.00 0.00 0.00 175.10 176.82 2ksq s ASP 93 N 1.22 6.43 -0.06 3.32 -1.08 -1.26 -1.16 116.67 124.07 2ksq s ASP 93 Ca 0.01 2.79 -0.08 0.00 -0.52 0.00 0.00 52.55 54.75 2ksq s ASP 93 Cb -0.14 -2.59 -0.29 0.00 -1.46 0.00 0.00 42.92 38.45 2ksq s ASP 93 CO -0.08 -0.96 0.60 0.77 0.52 0.00 0.00 175.17 176.02 2ksq h SER 94 N 7.46 0.50 0.11 -0.34 4.64 -1.44 -3.34 113.55 121.15 2ksq h SER 94 Ca -0.44 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.03 2ksq h SER 94 Cb 1.21 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2ksq h SER 94 CO 0.95 1.73 -0.01 -3.20 -0.87 0.00 0.00 176.83 175.43 2ksq n ASN 95 N -3.52 0.24 -4.04 4.97 2.85 -1.26 -3.32 115.26 111.18 2ksq n ASN 95 Ca -0.25 -0.90 -0.35 0.00 -0.11 0.00 0.00 54.58 52.96 2ksq n ASN 95 Cb 1.06 -0.05 -0.06 0.00 1.24 0.00 0.00 39.78 41.97 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 -0.88 4.27 0.21 1.20 -0.08 -1.25 -4.86 116.55 115.15 2ksq n ASP 96 Ca 0.21 -3.18 0.06 0.00 -1.51 0.00 0.00 54.79 50.37 2ksq n ASP 96 Cb 0.18 -1.02 0.46 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 5.77 0.00 -0.46 -0.67 -0.00 -1.85 -2.53 114.38 114.65 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 0.78 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.70 2ksq h ARG 97 CO 0.88 0.29 0.15 1.03 -0.00 0.00 0.00 179.97 182.33 2ksq h SER 98 N 0.00 0.14 0.01 0.08 0.87 -1.97 -2.42 113.55 110.26 2ksq h SER 98 Ca -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2ksq h SER 98 Cb 0.62 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2ksq h SER 98 CO 0.04 0.11 -0.14 0.54 -0.53 0.00 0.00 176.83 176.85 2ksq n ARG 99 N -5.02 1.71 -0.07 2.24 5.12 -1.18 -4.49 116.66 114.96 2ksq n ARG 99 Ca 0.04 -1.28 0.24 0.00 -1.93 0.00 0.00 57.85 54.92 2ksq n ARG 99 Cb 0.18 -1.47 0.54 0.00 -1.16 0.00 0.00 32.46 30.55 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 3.12 0.12 0.05 0.55 1.08 -0.98 0.79 117.51 122.25 2ksq h ILE 100 Ca 0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 64.86 64.20 2ksq h ILE 100 Cb 0.75 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 2ksq h ILE 100 CO 0.00 0.00 -1.40 1.23 -0.69 0.00 0.00 178.15 177.29 2ksq h GLY 101 N 0.00 0.12 0.97 5.37 0.00 -1.79 -3.10 103.07 104.64 2ksq h GLY 101 Ca 0.36 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2ksq h GLY 101 CO -0.00 0.28 -0.04 -2.09 0.00 0.00 0.00 176.54 174.68 2ksq h GLU 102 N 0.03 -0.11 -0.56 4.80 4.57 0.29 0.23 114.58 123.83 2ksq h GLU 102 Ca -0.18 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.06 2ksq h GLU 102 Cb 1.94 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 30.50 2ksq h GLU 102 CO 0.13 -0.04 0.29 0.00 -1.18 0.00 0.00 179.01 178.21 2ksq h ALA 103 N 0.76 0.72 -0.26 2.92 0.00 -1.59 0.44 119.26 122.25 2ksq h ALA 103 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ksq h ALA 103 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ksq h ALA 103 CO 0.02 -0.05 0.15 -0.09 0.00 0.00 0.00 179.25 179.28 2ksq h ARG 104 N 0.55 0.35 -0.16 0.00 1.12 -1.40 -1.71 114.38 113.15 2ksq h ARG 104 Ca 0.25 -0.04 -0.11 0.00 -1.11 0.00 0.00 59.98 58.97 2ksq h ARG 104 Cb 0.15 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 2ksq h ARG 104 CO -0.17 0.30 -0.38 1.49 -3.11 0.00 0.00 179.97 178.10 2ksq h GLU 105 N 0.31 0.34 -0.19 0.20 4.81 0.01 -2.88 114.58 117.19 2ksq h GLU 105 Ca 0.09 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2ksq h GLU 105 Cb 0.04 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2ksq h GLU 105 CO -0.02 0.67 0.01 0.28 -0.73 0.00 0.00 179.01 179.23 2ksq h VAL 106 N 0.29 1.25 -0.89 0.32 2.07 0.12 -2.92 116.25 116.48 2ksq h VAL 106 Ca 0.03 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.75 2ksq h VAL 106 Cb 0.80 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 2ksq h VAL 106 CO 0.06 0.25 0.58 0.00 0.02 0.00 0.00 177.57 178.49 2ksq h MET 107 N 0.09 1.08 -0.83 1.57 -0.00 -1.29 -2.02 114.93 113.53 2ksq h MET 107 Ca 0.05 -0.06 0.08 0.00 -0.00 0.00 0.00 59.70 59.77 2ksq h MET 107 Cb 0.37 -0.24 -0.07 0.00 -0.00 0.00 0.00 31.60 31.66 2ksq h MET 107 CO 0.01 0.71 0.50 0.37 -0.00 0.00 0.00 176.91 178.50 2ksq h GLN 108 N 1.11 0.85 -0.72 -0.10 4.15 -1.33 0.53 115.11 119.60 2ksq h GLN 108 Ca 0.35 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 2ksq h GLN 108 Cb 0.02 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 2ksq h GLN 108 CO -0.11 0.56 0.39 0.00 -1.93 0.00 0.00 178.83 177.75 2ksq h ARG 109 N 0.87 1.01 -0.36 1.69 3.08 -1.21 0.51 114.38 119.98 2ksq h ARG 109 Ca 0.38 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 60.16 2ksq h ARG 109 Cb 0.26 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2ksq h ARG 109 CO -0.21 0.76 -0.36 0.52 -1.07 0.00 0.00 179.97 179.61 2ksq h MET 110 N 0.99 0.84 0.00 0.04 2.86 -1.02 -2.86 114.93 115.78 2ksq h MET 110 Ca 0.25 -0.42 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 2ksq h MET 110 Cb 0.04 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2ksq h MET 110 CO -0.04 1.06 -0.25 1.25 1.06 0.00 0.00 176.91 179.99 2ksq h LEU 111 N 0.69 0.00 -0.94 1.22 5.85 0.58 -2.93 115.31 119.78 2ksq h LEU 111 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2ksq h LEU 111 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2ksq h LEU 111 CO 0.09 0.25 -0.02 -3.20 -0.34 0.00 0.00 178.44 175.21 2ksq n ASN 112 N -3.32 1.48 -4.72 1.25 2.85 0.18 -4.81 115.26 108.17 2ksq n ASN 112 Ca 0.01 -1.45 -0.41 0.00 -0.11 0.00 0.00 54.58 52.62 2ksq n ASN 112 Cb 0.49 0.01 -0.04 0.00 1.24 0.00 0.00 39.78 41.49 2ksq n ASN 112 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2ksq s GLU 113 N -2.04 4.52 0.33 1.20 2.12 -1.10 -4.94 118.70 118.79 2ksq s GLU 113 Ca 0.37 1.20 0.06 0.00 0.36 0.00 0.00 54.97 56.95 2ksq s GLU 113 Cb 0.21 -3.44 0.59 0.00 0.26 0.00 0.00 34.13 31.74 2ksq s GLU 113 CO 0.35 0.03 1.82 0.38 -0.54 0.00 0.00 175.26 177.30 2ksq h ASP 114 N 6.63 0.35 0.68 -1.70 2.03 -1.90 -1.44 116.42 121.07 2ksq h ASP 114 Ca -0.41 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 2ksq h ASP 114 Cb 1.21 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2ksq h ASP 114 CO 0.75 0.56 0.00 1.21 -1.03 0.00 0.00 179.24 180.72 2ksq n GLU 115 N -4.19 0.06 -0.16 4.15 2.13 -1.26 -2.85 120.64 118.52 2ksq n GLU 115 Ca -0.00 0.25 0.05 0.00 0.66 0.00 0.00 57.16 58.12 2ksq n GLU 115 Cb 0.34 -1.60 0.08 0.00 0.27 0.00 0.00 31.44 30.52 2ksq n GLU 115 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2ksq n LEU 116 N -1.72 1.56 0.00 4.31 -0.00 -0.69 -4.73 117.00 115.74 2ksq n LEU 116 Ca 0.04 -2.21 0.13 0.00 -0.00 0.00 0.00 56.01 53.97 2ksq n LEU 116 Cb 0.22 -0.23 0.74 0.00 -0.00 0.00 0.00 43.42 44.15 2ksq n LEU 116 CO 0.18 0.52 0.95 0.00 -0.00 0.00 0.00 177.39 179.04 2ksq n ASN 118 N -1.10 1.07 -4.91 0.00 4.05 -1.26 -5.01 115.26 108.11 2ksq n ASN 118 Ca 0.17 -1.04 -0.30 0.00 0.45 0.00 0.00 54.58 53.86 2ksq n ASN 118 Cb 0.13 0.57 -0.04 0.00 1.23 0.00 0.00 39.78 41.66 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ksq s ALA 119 N -1.46 3.83 1.03 5.20 0.00 -1.14 -4.94 121.76 124.27 2ksq s ALA 119 Ca 0.07 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 2ksq s ALA 119 Cb 0.08 -2.05 0.21 0.00 0.00 0.00 0.00 23.12 21.36 2ksq s ALA 119 CO 0.28 0.61 1.20 0.00 0.00 0.00 0.00 175.76 177.85 2ksq s ALA 120 N -1.71 1.59 -0.44 0.00 0.00 -1.16 -4.81 121.76 115.21 2ksq s ALA 120 Ca 0.40 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.47 2ksq s ALA 120 Cb -0.12 -2.88 0.19 0.00 0.00 0.00 0.00 23.12 20.32 2ksq s ALA 120 CO 0.27 -2.77 0.52 0.91 0.00 0.00 0.00 175.76 174.69 2ksq n TRP 121 N -4.09 -1.88 -2.91 0.00 8.01 -0.92 -2.00 117.44 113.65 2ksq n TRP 121 Ca 0.12 -2.67 -0.42 0.00 -1.31 0.00 0.00 57.50 53.23 2ksq n TRP 121 Cb 0.59 0.63 -0.05 0.00 -2.01 0.00 0.00 31.31 30.48 2ksq n TRP 121 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 2ksq s LEU 122 N 0.03 4.07 -0.11 -0.99 2.96 0.20 -2.73 118.68 122.11 2ksq s LEU 122 Ca 0.32 0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 54.76 2ksq s LEU 122 Cb 0.07 -3.12 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 2ksq s LEU 122 CO -0.15 -0.66 0.34 -0.69 -1.32 0.00 0.00 176.35 173.88 2ksq s VAL 123 N 3.05 5.23 -0.25 1.68 1.01 0.30 0.11 120.40 131.54 2ksq s VAL 123 Ca 0.34 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.98 2ksq s VAL 123 Cb -0.14 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.65 2ksq s VAL 123 CO 0.13 0.44 0.01 -0.36 0.00 0.00 0.00 175.10 175.32 2ksq s PHE 124 N 0.01 1.97 -0.38 5.22 0.40 0.08 -0.40 117.98 124.88 2ksq s PHE 124 Ca 0.20 -1.60 -0.28 0.00 -0.60 0.00 0.00 56.93 54.66 2ksq s PHE 124 Cb -0.14 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.80 2ksq s PHE 124 CO 0.07 -0.76 2.00 0.00 0.70 0.00 0.00 175.22 177.22 2ksq s ALA 125 N 1.53 2.53 0.78 5.36 0.00 0.24 -2.94 121.76 129.26 2ksq s ALA 125 Ca -0.00 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 2ksq s ALA 125 Cb -0.18 -4.13 0.07 0.00 0.00 0.00 0.00 23.12 18.88 2ksq s ALA 125 CO -0.11 -3.17 1.14 1.21 0.00 0.00 0.00 175.76 174.83 2ksq s ASN 126 N 7.86 4.65 -1.41 0.00 2.47 -0.31 -1.15 114.94 127.05 2ksq s ASN 126 Ca 0.85 0.74 0.00 0.00 0.42 0.00 0.00 52.86 54.87 2ksq s ASN 126 Cb -0.22 -1.29 0.00 0.00 -1.45 0.00 0.00 41.25 38.29 2ksq s ASN 126 CO 0.31 -1.79 0.00 0.29 -3.72 0.00 0.00 177.10 172.18 2ksq n LYS 127 N -3.20 -1.14 0.28 0.43 5.02 -1.25 -1.14 118.16 117.16 2ksq n LYS 127 Ca 0.08 0.95 0.13 0.00 -2.02 0.00 0.00 58.31 57.44 2ksq n LYS 127 Cb 0.61 -5.10 0.81 0.00 -0.02 0.00 0.00 35.03 31.33 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 0.04 0.00 0.00 1.97 1.08 -1.66 -1.12 115.11 115.42 2ksq h GLN 128 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2ksq h GLN 128 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 2ksq h GLN 128 CO 0.40 0.02 0.00 0.38 -0.95 0.00 0.00 178.83 178.68 2ksq h ASP 129 N 0.00 0.00 -3.51 1.46 2.03 -1.89 -3.41 116.42 111.09 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 0.06 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 38.62 2ksq h ASP 129 CO 0.00 0.00 0.75 -0.76 -1.03 0.00 0.00 179.24 178.20 2ksq s LEU 130 N -6.00 4.38 0.51 0.15 2.01 -0.42 -4.88 118.68 114.43 2ksq s LEU 130 Ca -0.01 2.73 0.31 0.00 0.01 0.00 0.00 54.13 57.17 2ksq s LEU 130 Cb 0.10 -3.63 1.43 0.00 0.01 0.00 0.00 46.19 44.10 2ksq s LEU 130 CO 0.48 -0.71 1.83 -0.65 1.01 0.00 0.00 176.35 178.31 2ksq h PRO 131 N 4.55 0.08 -0.70 1.29 0.11 -1.89 0.52 132.00 135.96 2ksq h PRO 131 Ca -0.47 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.36 2ksq h PRO 131 Cb 1.22 -0.02 -0.16 0.00 0.11 0.00 0.00 31.00 32.15 2ksq h PRO 131 CO 0.74 0.05 0.29 0.39 -0.21 0.00 0.00 178.00 179.27 2ksq n GLU 132 N -4.30 2.97 -1.87 1.05 1.02 -1.26 -5.00 120.64 113.24 2ksq n GLU 132 Ca 0.23 -3.07 -0.42 0.00 -0.02 0.00 0.00 57.16 53.88 2ksq n GLU 132 Cb 1.06 -2.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.11 3.77 0.44 0.62 0.00 0.18 -4.60 121.76 119.06 2ksq s ALA 133 Ca 0.53 1.46 -0.24 0.00 0.00 0.00 0.00 51.96 53.70 2ksq s ALA 133 Cb 0.44 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 2ksq s ALA 133 CO 0.10 -0.85 1.23 1.41 0.00 0.00 0.00 175.76 177.65 2ksq s MET 134 N 0.44 3.84 0.72 0.00 1.75 -1.21 -4.95 119.30 119.89 2ksq s MET 134 Ca 0.67 1.95 -0.11 0.00 -1.25 0.00 0.00 55.69 56.95 2ksq s MET 134 Cb -0.46 -2.57 0.02 0.00 2.84 0.00 0.00 34.83 34.66 2ksq s MET 134 CO 0.38 -0.53 1.09 -1.54 -0.65 0.00 0.00 175.02 173.76 2ksq s SER 135 N -1.07 5.26 0.39 1.11 1.04 -1.26 -4.91 113.70 114.26 2ksq s SER 135 Ca 0.60 1.24 0.12 0.00 0.48 0.00 0.00 55.95 58.40 2ksq s SER 135 Cb -0.33 -2.06 0.79 0.00 0.10 0.00 0.00 66.02 64.52 2ksq s SER 135 CO 0.41 -1.47 1.88 0.00 0.98 0.00 0.00 173.24 175.04 2ksq h ALA 136 N -0.74 1.47 -0.75 5.32 0.00 -1.99 -2.62 119.26 119.96 2ksq h ALA 136 Ca -0.45 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 2ksq h ALA 136 Cb 1.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2ksq h ALA 136 CO 0.62 0.39 0.26 0.00 0.00 0.00 0.00 179.25 180.51 2ksq h ALA 137 N 1.66 1.04 0.01 0.00 0.00 -1.98 -0.42 119.26 119.57 2ksq h ALA 137 Ca 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2ksq h ALA 137 Cb 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ksq h ALA 137 CO 0.04 0.66 -0.13 1.49 0.00 0.00 0.00 179.25 181.30 2ksq h GLU 138 N 1.10 0.08 -0.70 0.00 4.57 -1.89 -2.22 114.58 115.52 2ksq h GLU 138 Ca 0.24 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2ksq h GLU 138 Cb 0.27 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 2ksq h GLU 138 CO -0.01 0.89 0.38 0.82 -1.18 0.00 0.00 179.01 179.91 2ksq h ILE 139 N -0.69 1.21 0.13 2.32 2.04 -1.50 -1.01 117.51 120.01 2ksq h ILE 139 Ca -0.02 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2ksq h ILE 139 Cb 0.94 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2ksq h ILE 139 CO 0.03 0.24 -0.06 0.74 0.00 0.00 0.00 178.15 179.09 2ksq h THR 140 N 0.98 1.04 0.29 -0.27 2.02 -1.16 -2.46 112.91 113.35 2ksq h THR 140 Ca 0.25 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 2ksq h THR 140 Cb 0.03 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2ksq h THR 140 CO -0.04 0.20 -0.27 -0.08 0.37 0.00 0.00 175.52 175.71 2ksq h GLU 141 N -0.61 -0.56 -0.32 6.66 4.57 -1.24 -1.75 114.58 121.32 2ksq h GLU 141 Ca -0.02 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 2ksq h GLU 141 Cb 0.47 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2ksq h GLU 141 CO 0.03 -0.37 0.23 0.87 -1.18 0.00 0.00 179.01 178.59 2ksq h LYS 142 N -0.58 0.02 -0.01 1.92 1.79 -1.28 0.14 116.57 118.58 2ksq h LYS 142 Ca -0.01 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2ksq h LYS 142 Cb 0.53 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2ksq h LYS 142 CO -0.05 0.02 -0.03 1.28 -1.08 0.00 0.00 179.45 179.59 2ksq n LEU 143 N -4.45 0.65 -2.44 2.94 4.77 -0.88 -4.92 117.00 112.67 2ksq n LEU 143 Ca 0.05 -0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 55.67 2ksq n LEU 143 Cb 0.38 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 2ksq n LEU 143 CO 0.36 0.11 -0.02 0.61 -1.33 0.00 0.00 177.39 177.12 2ksq n GLY 144 N 1.13 -0.29 0.28 -0.72 0.00 0.49 -4.91 105.19 101.17 2ksq n GLY 144 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.06 0.69 -0.87 0.99 7.12 -1.54 0.21 115.31 120.86 2ksq h LEU 145 Ca -0.43 0.01 -0.10 0.00 0.13 0.00 0.00 57.88 57.49 2ksq h LEU 145 Cb 1.30 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 2ksq h LEU 145 CO 0.46 0.46 -0.48 -0.74 -0.13 0.00 0.00 178.44 178.01 2ksq h HIS 146 N 0.82 0.00 0.00 1.25 2.76 -1.91 -2.91 115.15 115.17 2ksq h HIS 146 Ca 0.31 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2ksq h HIS 146 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2ksq h HIS 146 CO -0.05 0.48 -0.31 0.43 -1.30 0.00 0.00 177.93 177.18 2ksq n SER 147 N -3.67 0.36 -4.32 3.26 7.64 -0.73 -4.72 113.62 111.44 2ksq n SER 147 Ca -0.01 0.11 -0.39 0.00 1.01 0.00 0.00 58.87 59.59 2ksq n SER 147 Cb 0.55 -0.09 -0.12 0.00 -1.01 0.00 0.00 64.21 63.55 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 -3.02 4.21 -0.07 0.44 1.01 -0.01 -4.89 121.20 118.86 2ksq s ILE 148 Ca 0.11 -1.03 0.22 0.00 0.00 0.00 0.00 60.65 59.95 2ksq s ILE 148 Cb 0.17 -3.39 0.43 0.00 0.01 0.00 0.00 42.46 39.68 2ksq s ILE 148 CO 0.64 -0.24 1.18 0.54 0.00 0.00 0.00 174.94 177.06 2ksq n ARG 149 N 4.91 0.56 0.00 2.79 5.12 -1.26 -4.77 116.66 124.02 2ksq n ARG 149 Ca -0.12 -2.45 0.04 0.00 -1.93 0.00 0.00 57.85 53.38 2ksq n ARG 149 Cb 0.45 -0.54 -0.02 0.00 -1.16 0.00 0.00 32.46 31.18 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 -0.00 0.66 -3.82 0.55 3.02 -1.26 -5.00 115.26 109.41 2ksq n ASN 150 Ca 0.10 -0.83 -0.13 0.00 -0.03 0.00 0.00 54.58 53.70 2ksq n ASN 150 Cb 1.01 0.76 -0.14 0.00 -0.61 0.00 0.00 39.78 40.80 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 -1.44 0.08 -0.67 3.52 3.00 -1.26 -5.10 118.95 117.08 2ksq s ARG 151 Ca 0.04 0.17 -0.26 0.00 0.00 0.00 0.00 55.73 55.69 2ksq s ARG 151 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 34.95 34.94 2ksq s ARG 151 CO 0.25 -0.06 2.00 -1.25 0.00 0.00 0.00 175.30 176.24 2ksq s PRO 152 N 0.37 2.46 0.00 3.54 0.04 -1.26 -4.93 135.00 135.22 2ksq s PRO 152 Ca -0.03 0.51 -0.05 0.00 0.04 0.00 0.00 61.00 61.48 2ksq s PRO 152 Cb -0.04 -4.60 -0.00 0.00 0.04 0.00 0.00 34.50 29.90 2ksq s PRO 152 CO -0.01 -3.08 0.09 1.67 0.04 0.00 0.00 177.00 175.71 2ksq s TRP 153 N 10.16 0.07 0.04 0.56 1.48 -1.26 -2.17 118.94 127.83 2ksq s TRP 153 Ca 0.74 -0.17 0.00 0.00 -1.06 0.00 0.00 56.10 55.61 2ksq s TRP 153 Cb -0.12 -0.07 -0.03 0.00 -1.16 0.00 0.00 33.47 32.09 2ksq s TRP 153 CO 0.16 -0.22 -0.04 0.12 -4.06 0.00 0.00 176.95 172.90 2ksq s PHE 154 N -1.17 0.48 -0.17 1.66 5.36 -1.10 -4.98 117.98 118.06 2ksq s PHE 154 Ca -0.13 -0.79 -0.02 0.00 -0.96 0.00 0.00 56.93 55.04 2ksq s PHE 154 Cb -0.07 -0.33 -0.01 0.00 -0.34 0.00 0.00 43.02 42.27 2ksq s PHE 154 CO 0.01 -0.25 -0.10 -1.50 -1.46 0.00 0.00 175.22 171.91 2ksq s ILE 155 N -2.71 3.11 -0.02 3.12 2.07 -1.26 0.11 121.20 125.62 2ksq s ILE 155 Ca -0.03 -0.61 0.02 0.00 -1.41 0.00 0.00 60.65 58.62 2ksq s ILE 155 Cb -0.01 -2.35 0.00 0.00 0.13 0.00 0.00 42.46 40.23 2ksq s ILE 155 CO -0.05 0.49 -0.08 -1.58 -1.91 0.00 0.00 174.94 171.80 2ksq s GLN 156 N 0.85 0.87 -0.21 3.50 -0.44 0.47 -4.99 119.66 119.71 2ksq s GLN 156 Ca -0.03 -0.28 -0.29 0.00 -2.50 0.00 0.00 55.36 52.26 2ksq s GLN 156 Cb -0.15 -0.83 0.01 0.00 -1.64 0.00 0.00 33.01 30.40 2ksq s GLN 156 CO 0.00 0.11 1.04 0.00 0.50 0.00 0.00 175.29 176.95 2ksq s ALA 157 N 0.16 3.66 0.10 1.58 0.00 -1.26 0.81 121.76 126.81 2ksq s ALA 157 Ca -0.02 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2ksq s ALA 157 Cb -0.08 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2ksq s ALA 157 CO 0.00 -1.00 -0.13 -0.08 0.00 0.00 0.00 175.76 174.55 2ksq s THR 158 N 3.07 1.14 -0.29 0.00 -1.32 -0.30 -4.84 115.64 113.09 2ksq s THR 158 Ca 0.45 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 2ksq s THR 158 Cb -0.15 -1.36 0.09 0.00 -1.51 0.00 0.00 72.50 69.56 2ksq s THR 158 CO 0.07 -0.43 0.06 0.00 -2.21 0.00 0.00 174.62 172.12 2ksq h ALA 160 N 7.98 0.70 -0.93 0.00 0.00 -1.92 0.84 119.26 125.93 2ksq h ALA 160 Ca -0.13 -0.56 0.20 0.00 0.00 0.00 0.00 54.91 54.43 2ksq h ALA 160 Cb 1.03 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2ksq h ALA 160 CO 0.46 0.73 0.61 0.00 0.00 0.00 0.00 179.25 181.05 2ksq h THR 161 N 0.29 0.69 0.00 0.00 1.03 -1.94 -3.01 112.91 109.97 2ksq h THR 161 Ca -0.01 -0.17 -0.26 0.00 -0.01 0.00 0.00 66.41 65.95 2ksq h THR 161 Cb 1.18 0.14 -0.05 0.00 -1.07 0.00 0.00 68.15 68.36 2ksq h THR 161 CO 0.11 0.09 -2.00 -1.20 -0.01 0.00 0.00 175.52 172.51 2ksq n SER 162 N -4.57 2.59 0.00 0.00 7.64 -1.19 -4.70 113.62 113.38 2ksq n SER 162 Ca 0.20 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2ksq n SER 162 Cb 0.67 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 2.64 0.85 3.76 0.23 0.00 0.29 -4.94 105.19 108.02 2ksq n GLY 163 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2ksq n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksq s GLU 164 N -0.89 4.41 0.00 1.61 -6.30 -1.11 -2.68 118.70 113.75 2ksq s GLU 164 Ca 0.00 2.10 0.00 0.00 -2.50 0.00 0.00 54.97 54.57 2ksq s GLU 164 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 34.13 31.00 2ksq s GLU 164 CO 0.00 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.54 2ksq n GLY 165 N 1.39 2.81 0.26 -1.50 0.00 -1.26 -3.11 105.19 103.79 2ksq n GLY 165 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.88 -0.50 0.99 4.07 -1.85 -2.83 115.31 116.06 2ksq h LEU 166 Ca 0.00 -0.29 -0.01 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 0.95 0.27 0.10 -1.08 0.00 0.00 178.44 178.68 2ksq h TYR 167 N 0.77 0.70 -0.85 1.13 -0.00 -1.90 -2.56 116.97 114.26 2ksq h TYR 167 Ca 0.15 -0.02 0.07 0.00 0.00 0.00 0.00 58.73 58.93 2ksq h TYR 167 Cb 0.49 -0.22 -0.06 0.00 0.00 0.00 0.00 36.73 36.94 2ksq h TYR 167 CO 0.04 0.53 0.55 1.49 -0.00 0.00 0.00 178.16 180.77 2ksq h GLU 168 N 0.67 0.91 -0.54 0.10 4.81 -1.92 -2.31 114.58 116.29 2ksq h GLU 168 Ca 0.18 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2ksq h GLU 168 Cb 0.07 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2ksq h GLU 168 CO -0.03 0.60 0.33 0.78 -0.73 0.00 0.00 179.01 179.96 2ksq h GLY 169 N 0.93 0.78 2.00 1.92 0.00 -1.21 -0.69 103.07 106.80 2ksq h GLY 169 Ca 0.37 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 2ksq h GLY 169 CO -0.14 0.31 -0.29 -2.00 0.00 0.00 0.00 176.54 174.43 2ksq h LEU 170 N 0.73 0.00 -0.08 3.11 5.85 -1.32 -2.62 115.31 120.97 2ksq h LEU 170 Ca 0.19 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.67 2ksq h LEU 170 Cb -0.02 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.02 2ksq h LEU 170 CO -0.04 0.29 -1.00 -0.08 -0.34 0.00 0.00 178.44 177.27 2ksq h GLU 171 N 0.00 0.54 -0.42 1.25 4.81 -0.92 -2.77 114.58 117.07 2ksq h GLU 171 Ca -0.00 -0.59 -0.05 0.00 -0.13 0.00 0.00 59.36 58.58 2ksq h GLU 171 Cb 0.58 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2ksq h GLU 171 CO 0.04 1.21 0.06 -1.49 -0.73 0.00 0.00 179.01 178.10 2ksq h TRP 172 N 0.30 0.74 0.13 0.92 -0.00 -0.92 -2.71 115.95 114.41 2ksq h TRP 172 Ca -0.11 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 58.67 2ksq h TRP 172 Cb 1.65 -0.20 0.00 0.00 -0.00 0.00 0.00 29.16 30.61 2ksq h TRP 172 CO 0.08 0.72 -0.06 1.25 -0.00 0.00 0.00 178.44 180.43 2ksq h LEU 173 N 0.55 -0.15 -1.83 -4.49 6.46 -1.54 -2.70 115.31 111.61 2ksq h LEU 173 Ca 0.13 -0.15 0.17 0.00 -0.12 0.00 0.00 57.88 57.91 2ksq h LEU 173 Cb 0.38 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 2ksq h LEU 173 CO 0.01 0.07 0.47 0.77 -0.62 0.00 0.00 178.44 179.13 2ksq h SER 174 N -0.35 0.15 0.51 1.25 4.64 -1.48 0.00 113.55 118.27 2ksq h SER 174 Ca -0.02 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 2ksq h SER 174 Cb 0.29 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2ksq h SER 174 CO 0.03 0.08 -0.78 0.78 -0.87 0.00 0.00 176.83 176.06 2ksq h ASN 175 N 0.16 0.25 0.40 4.97 2.35 -1.27 -2.69 115.58 119.76 2ksq h ASN 175 Ca 0.33 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2ksq h ASN 175 Cb 1.06 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2ksq h ASN 175 CO -0.05 0.94 -0.34 0.00 -1.65 0.00 0.00 177.43 176.32 2ksq n LEU 177 N -4.02 1.84 -2.78 0.00 4.32 -1.15 -4.67 117.00 110.56 2ksq n LEU 177 Ca -0.02 0.55 -0.12 0.00 -0.02 0.00 0.00 56.01 56.40 2ksq n LEU 177 Cb 0.39 -0.86 -0.01 0.00 -1.62 0.00 0.00 43.42 41.32 2ksq n LEU 177 CO 0.38 -0.30 -0.08 0.29 -1.22 0.00 0.00 177.39 176.46 2ksq n LYS 178 N -4.55 -2.66 0.00 3.23 4.76 -1.01 0.75 118.16 118.67 2ksq n LYS 178 Ca -0.13 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 2ksq n LYS 178 Cb 0.39 -4.92 0.00 0.00 -1.84 0.00 0.00 35.03 28.66 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 -1.84 0.00 -0.04 4.39 3.02 -1.26 -4.22 115.26 115.31 2ksq n ASN 179 Ca -0.05 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.74 2ksq n ASN 179 Cb 0.55 0.00 0.71 0.00 -0.61 0.00 0.00 39.78 40.43 2ksq n ASN 179 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2ksq h SER 180 N 0.00 0.00 -0.01 6.41 4.64 -1.96 -3.53 113.55 119.10 2ksq h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ksq h SER 180 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ksq h SER 180 CO 0.00 0.00 0.00 0.41 -0.87 0.00 0.00 176.83 176.37