#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3k n ALA 2 N 0.00 -3.80 -3.43 3.17 0.00 -1.26 -5.03 120.51 110.16 1t3k n ALA 2 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 53.44 51.98 1t3k n ALA 2 Cb 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 19.45 17.66 1t3k n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3k s MET 3 N -3.77 0.28 0.04 0.00 0.00 -1.26 -5.13 119.30 109.45 1t3k s MET 3 Ca 0.60 -0.04 -0.30 0.00 0.00 0.00 0.00 55.69 55.95 1t3k s MET 3 Cb -0.17 -0.84 -0.06 0.00 0.00 0.00 0.00 34.83 33.76 1t3k s MET 3 CO 0.66 -0.90 1.39 0.00 0.00 0.00 0.00 175.02 176.16 1t3k s ALA 4 N 2.34 3.57 -0.02 3.16 0.00 -1.26 -4.94 121.76 124.61 1t3k s ALA 4 Ca 0.09 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 1t3k s ALA 4 Cb -0.15 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.43 1t3k s ALA 4 CO -0.27 -0.80 0.40 2.89 0.00 0.00 0.00 175.76 177.98 1t3k n ARG 5 N 4.90 0.02 0.00 0.00 1.85 -1.26 -5.11 116.66 117.05 1t3k n ARG 5 Ca 0.12 -0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1t3k n ARG 5 Cb 0.43 0.32 0.00 0.00 -1.05 0.00 0.00 32.46 32.17 1t3k n ARG 5 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1t3k n SER 6 N -0.34 0.00 -4.29 2.89 7.64 -1.26 -5.00 113.62 113.26 1t3k n SER 6 Ca 0.02 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 1t3k n SER 6 Cb 0.17 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.55 1t3k n SER 6 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1t3k s ILE 7 N 0.00 1.89 0.15 0.44 -5.25 -1.26 -5.03 121.20 112.15 1t3k s ILE 7 Ca 0.00 0.00 0.10 0.00 -0.99 0.00 0.00 60.65 59.76 1t3k s ILE 7 Cb 0.00 -2.78 -0.04 0.00 2.95 0.00 0.00 42.46 42.58 1t3k s ILE 7 CO 0.00 0.00 -0.22 -0.44 -1.79 0.00 0.00 174.94 172.49 1t3k s SER 8 N -4.34 3.00 0.10 4.36 0.01 -0.84 -4.98 113.70 111.01 1t3k s SER 8 Ca 0.69 -0.81 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1t3k s SER 8 Cb -0.09 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1t3k s SER 8 CO 0.54 0.07 0.22 -0.31 0.41 0.00 0.00 173.24 174.17 1t3k s TYR 9 N -1.56 3.45 -0.01 2.43 2.02 -1.26 -0.46 117.35 121.96 1t3k s TYR 9 Ca 0.15 0.16 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 1t3k s TYR 9 Cb -0.08 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 1t3k s TYR 9 CO 0.07 0.55 -0.01 0.96 -1.57 0.00 0.00 175.55 175.55 1t3k s ILE 10 N -1.61 0.12 0.53 2.71 -4.36 -0.11 -4.88 121.20 113.60 1t3k s ILE 10 Ca 0.34 -0.01 0.02 0.00 -0.26 0.00 0.00 60.65 60.74 1t3k s ILE 10 Cb -0.12 -0.14 0.03 0.00 1.25 0.00 0.00 42.46 43.48 1t3k s ILE 10 CO 0.27 0.06 0.74 -0.89 0.24 0.00 0.00 174.94 175.37 1t3k s THR 11 N 0.26 2.73 0.11 8.37 2.01 -1.26 -2.74 115.64 125.13 1t3k s THR 11 Ca -0.02 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 61.07 1t3k s THR 11 Cb -0.04 -3.01 -0.07 0.00 0.01 0.00 0.00 72.50 69.39 1t3k s THR 11 CO -0.01 -0.00 1.73 0.28 -0.69 0.00 0.00 174.62 175.93 1t3k h SER 12 N 0.16 0.26 -0.32 3.53 0.02 -1.98 -2.13 113.55 113.09 1t3k h SER 12 Ca -0.42 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.41 1t3k h SER 12 Cb 1.29 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1t3k h SER 12 CO 0.51 0.25 -0.00 0.71 -1.14 0.00 0.00 176.83 177.15 1t3k h THR 13 N 0.25 1.23 -0.15 -2.27 1.35 -1.98 -1.15 112.91 110.19 1t3k h THR 13 Ca 0.08 -0.92 0.04 0.00 -0.55 0.00 0.00 66.41 65.06 1t3k h THR 13 Cb 0.04 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1t3k h THR 13 CO -0.01 0.32 0.18 1.56 -0.25 0.00 0.00 175.52 177.32 1t3k h GLN 14 N 0.64 0.00 0.00 4.72 1.08 -1.78 0.99 115.11 120.76 1t3k h GLN 14 Ca 0.13 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1t3k h GLN 14 Cb 0.40 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1t3k h GLN 14 CO 0.02 0.00 -0.29 -0.07 -0.95 0.00 0.00 178.83 177.54 1t3k h LEU 15 N 0.00 0.00 0.17 1.46 4.07 -0.75 -3.28 115.31 116.98 1t3k h LEU 15 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1t3k h LEU 15 Cb 0.43 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1t3k h LEU 15 CO -0.00 0.29 -0.15 0.25 -1.08 0.00 0.00 178.44 177.75 1t3k h LEU 16 N 0.00 -0.38 -1.84 1.67 7.12 0.10 -2.28 115.31 119.70 1t3k h LEU 16 Ca -0.00 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1t3k h LEU 16 Cb 0.98 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1t3k h LEU 16 CO 0.04 -0.23 -0.08 1.55 -0.13 0.00 0.00 178.44 179.59 1t3k h PRO 17 N -0.34 0.00 -0.42 5.25 0.13 -1.64 -3.46 132.00 131.52 1t3k h PRO 17 Ca -0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 1t3k h PRO 17 Cb 0.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.39 1t3k h PRO 17 CO -0.02 0.08 -0.12 1.47 -0.23 0.00 0.00 178.00 179.18 1t3k n LEU 18 N -3.35 0.07 -2.52 1.56 -0.00 -0.86 -3.12 117.00 108.78 1t3k n LEU 18 Ca -0.01 0.16 -0.02 0.00 -0.00 0.00 0.00 56.01 56.14 1t3k n LEU 18 Cb 0.26 -2.30 -0.00 0.00 -0.00 0.00 0.00 43.42 41.38 1t3k n LEU 18 CO 0.28 -0.87 -0.02 1.41 -0.00 0.00 0.00 177.39 178.19 1t3k n HIS 19 N -1.86 -1.92 -3.44 1.47 8.25 -1.26 -0.76 115.22 115.69 1t3k n HIS 19 Ca -0.06 0.01 -0.21 0.00 -0.26 0.00 0.00 57.72 57.19 1t3k n HIS 19 Cb 0.48 -1.21 0.05 0.00 1.12 0.00 0.00 29.99 30.43 1t3k n HIS 19 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1t3k n ARG 20 N -2.55 -1.68 -0.52 -0.41 3.00 -1.18 -4.54 116.66 108.77 1t3k n ARG 20 Ca -0.02 0.74 0.00 0.00 -0.00 0.00 0.00 57.85 58.58 1t3k n ARG 20 Cb 0.51 -4.95 0.00 0.00 0.00 0.00 0.00 32.46 28.02 1t3k n ARG 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1t3k n ARG 21 N -3.49 0.00 0.03 -0.14 3.00 0.06 -5.02 116.66 111.10 1t3k n ARG 21 Ca -0.08 0.17 0.13 0.00 -0.00 0.00 0.00 57.85 58.07 1t3k n ARG 21 Cb 0.60 -0.44 0.38 0.00 0.00 0.00 0.00 32.46 33.00 1t3k n ARG 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1t3k n PRO 22 N -0.09 0.10 -4.02 -0.14 -0.04 -0.68 -4.97 135.00 125.15 1t3k n PRO 22 Ca 0.00 0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 1t3k n PRO 22 Cb 0.00 -1.58 0.02 0.00 -0.04 0.00 0.00 33.50 31.89 1t3k n PRO 22 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1t3k n ASN 23 N -1.74 -3.98 -4.41 3.54 0.23 -1.26 -4.45 115.26 103.20 1t3k n ASN 23 Ca 0.06 -1.19 -0.29 0.00 -0.53 0.00 0.00 54.58 52.62 1t3k n ASN 23 Cb 0.37 -1.49 -0.13 0.00 -2.08 0.00 0.00 39.78 36.45 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1t3k s ILE 24 N -3.49 2.38 -0.21 1.53 2.07 -1.26 0.56 121.20 122.78 1t3k s ILE 24 Ca 0.39 -1.67 -0.10 0.00 -1.41 0.00 0.00 60.65 57.87 1t3k s ILE 24 Cb -0.22 -2.05 0.08 0.00 0.13 0.00 0.00 42.46 40.40 1t3k s ILE 24 CO 0.91 0.12 0.48 0.00 -1.91 0.00 0.00 174.94 174.54 1t3k s ALA 25 N -1.05 -1.30 -0.29 1.50 0.00 0.79 -4.84 121.76 116.57 1t3k s ALA 25 Ca 0.15 1.74 -0.17 0.00 0.00 0.00 0.00 51.96 53.68 1t3k s ALA 25 Cb -0.10 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1t3k s ALA 25 CO 0.06 -0.50 0.46 -1.50 0.00 0.00 0.00 175.76 174.28 1t3k s ILE 26 N 1.96 5.10 -0.02 0.00 2.07 -1.26 -1.02 121.20 128.04 1t3k s ILE 26 Ca -0.07 0.58 -0.11 0.00 -1.41 0.00 0.00 60.65 59.65 1t3k s ILE 26 Cb -0.09 -3.82 -0.05 0.00 0.13 0.00 0.00 42.46 38.63 1t3k s ILE 26 CO -0.14 0.02 0.32 0.27 -1.91 0.00 0.00 174.94 173.50 1t3k s ILE 27 N 2.24 5.20 -0.18 2.00 -4.36 0.11 -1.84 121.20 124.37 1t3k s ILE 27 Ca 0.18 0.53 -0.00 0.00 -0.26 0.00 0.00 60.65 61.10 1t3k s ILE 27 Cb -0.16 -3.60 0.01 0.00 1.25 0.00 0.00 42.46 39.96 1t3k s ILE 27 CO 0.11 0.51 -0.15 -1.81 0.24 0.00 0.00 174.94 173.84 1t3k s ASP 28 N -1.26 3.54 -0.10 4.36 1.11 -0.45 -1.45 116.67 122.42 1t3k s ASP 28 Ca 0.24 -0.54 0.02 0.00 0.18 0.00 0.00 52.55 52.45 1t3k s ASP 28 Cb -0.15 -1.56 -0.01 0.00 1.07 0.00 0.00 42.92 42.28 1t3k s ASP 28 CO 0.12 0.03 -0.19 0.68 1.18 0.00 0.00 175.17 176.99 1t3k s VAL 29 N 1.15 2.55 0.00 -1.27 -7.23 -1.24 -0.64 120.40 113.72 1t3k s VAL 29 Ca 0.01 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1t3k s VAL 29 Cb -0.14 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1t3k s VAL 29 CO -0.06 0.55 0.00 -1.14 -0.31 0.00 0.00 175.10 174.14 1t3k n ARG 30 N 3.36 0.00 0.00 4.82 0.63 -0.79 -4.85 116.66 119.83 1t3k n ARG 30 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1t3k n ARG 30 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 1t3k n ARG 30 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1t3k n ASP 31 N 0.00 0.00 -0.12 6.15 8.00 -1.26 -4.68 116.55 124.65 1t3k n ASP 31 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1t3k n ASP 31 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1t3k n ASP 31 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1t3k n GLU 32 N -0.60 -0.08 0.07 -1.24 0.00 -1.26 0.19 120.64 117.72 1t3k n GLU 32 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 57.16 57.61 1t3k n GLU 32 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 31.44 30.73 1t3k n GLU 32 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1t3k h GLU 33 N 0.00 0.00 0.00 5.31 4.81 -2.00 -3.30 114.58 119.41 1t3k h GLU 33 Ca 0.09 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.09 1t3k h GLU 33 Cb 0.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1t3k h GLU 33 CO -0.29 0.40 -1.24 0.00 -0.73 0.00 0.00 179.01 177.15 1t3k h ARG 34 N 0.00 0.00 0.00 1.92 3.08 0.18 -3.21 114.38 116.35 1t3k h ARG 34 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1t3k h ARG 34 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.56 1t3k h ARG 34 CO 0.06 0.75 -0.41 -2.95 -1.07 0.00 0.00 179.97 176.35 1t3k h ASN 35 N 0.00 0.00 0.00 7.04 -0.00 0.77 -3.35 115.58 120.04 1t3k h ASN 35 Ca -0.12 -0.03 -0.00 0.00 -0.00 0.00 0.00 56.30 56.16 1t3k h ASN 35 Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.14 1t3k h ASN 35 CO 0.10 0.01 -0.00 1.88 -0.00 0.00 0.00 177.43 179.43 1t3k h TYR 36 N 0.00 -0.00 -5.93 4.14 0.05 -1.67 -3.45 116.97 110.11 1t3k h TYR 36 Ca 0.00 -0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.49 1t3k h TYR 36 Cb 0.94 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.51 1t3k h TYR 36 CO 0.00 0.97 -0.42 -0.40 -1.05 0.00 0.00 178.16 177.27 1t3k n ASP 37 N -4.62 -1.54 0.00 3.88 5.68 -1.21 -2.84 116.55 115.90 1t3k n ASP 37 Ca -0.10 -0.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.91 1t3k n ASP 37 Cb 0.47 -1.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.05 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t3k n GLY 38 N -0.78 1.63 0.00 6.12 0.00 -1.26 -4.80 105.19 106.10 1t3k n GLY 38 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1t3k n GLY 38 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1t3k n HIS 39 N 0.00 0.00 -0.99 1.61 8.25 -1.13 -4.94 115.22 118.01 1t3k n HIS 39 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1t3k n HIS 39 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 1t3k n HIS 39 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1t3k n ILE 40 N 0.00 0.00 -3.06 1.59 0.13 -1.26 0.24 119.36 117.00 1t3k n ILE 40 Ca 0.00 -0.47 -0.41 0.00 -1.10 0.00 0.00 62.75 60.78 1t3k n ILE 40 Cb 0.00 -0.02 -0.06 0.00 -0.84 0.00 0.00 39.64 38.72 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1t3k s ALA 41 N -2.01 3.62 0.00 1.51 0.00 -0.89 0.56 121.76 124.55 1t3k s ALA 41 Ca 0.40 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1t3k s ALA 41 Cb -0.17 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1t3k s ALA 41 CO 0.82 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1t3k n GLY 42 N 4.06 1.53 0.00 0.00 0.00 -1.26 -4.58 105.19 104.93 1t3k n GLY 42 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1t3k n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t3k n SER 43 N 7.27 0.00 -4.61 1.61 7.64 -1.24 -4.73 113.62 119.56 1t3k n SER 43 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1t3k n SER 43 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1t3k n SER 43 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1t3k s LEU 44 N 0.00 3.70 0.15 -3.43 2.34 -0.76 -4.80 118.68 115.88 1t3k s LEU 44 Ca 0.00 0.78 -0.13 0.00 0.06 0.00 0.00 54.13 54.84 1t3k s LEU 44 Cb 0.00 -3.54 -0.07 0.00 -0.56 0.00 0.00 46.19 42.02 1t3k s LEU 44 CO 0.00 -1.22 0.53 -1.38 -1.06 0.00 0.00 176.35 173.21 1t3k s HIS 45 N 4.61 3.57 -0.07 3.48 -3.43 -1.26 -1.34 115.29 120.85 1t3k s HIS 45 Ca 0.53 0.98 -0.32 0.00 -0.80 0.00 0.00 55.06 55.46 1t3k s HIS 45 Cb -0.11 -2.32 0.13 0.00 -1.43 0.00 0.00 32.58 28.85 1t3k s HIS 45 CO 0.28 0.41 1.38 1.52 -2.00 0.00 0.00 174.74 176.34 1t3k s TYR 46 N -1.52 -0.01 0.00 0.38 1.13 0.19 -4.93 117.35 112.59 1t3k s TYR 46 Ca 0.39 -0.03 0.00 0.00 -1.41 0.00 0.00 57.07 56.02 1t3k s TYR 46 Cb -0.14 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.24 1t3k s TYR 46 CO 0.19 -0.10 0.00 0.00 -2.51 0.00 0.00 175.55 173.14 1t3k n ALA 47 N -0.61 0.00 -1.96 9.51 0.00 -1.26 -1.88 120.51 124.31 1t3k n ALA 47 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.40 1t3k n ALA 47 Cb 0.62 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.11 1t3k n ALA 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t3k n SER 48 N -0.22 0.61 0.03 0.00 2.88 -1.26 -4.47 113.62 111.19 1t3k n SER 48 Ca 0.00 -2.24 -0.12 0.00 -1.33 0.00 0.00 58.87 55.19 1t3k n SER 48 Cb 0.00 -0.27 -0.09 0.00 -0.75 0.00 0.00 64.21 63.11 1t3k n SER 48 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1t3k h GLY 49 N 0.26 -0.16 0.00 0.46 0.00 -1.98 -3.39 103.07 98.25 1t3k h GLY 49 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1t3k h GLY 49 CO 0.02 -0.06 0.00 1.44 0.00 0.00 0.00 176.54 177.94 1t3k n SER 50 N -4.89 0.98 -0.37 0.19 7.64 -1.26 -4.70 113.62 111.20 1t3k n SER 50 Ca -0.08 -1.45 0.08 0.00 1.01 0.00 0.00 58.87 58.42 1t3k n SER 50 Cb 0.28 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.79 1t3k n SER 50 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1t3k n PHE 51 N -0.23 0.20 0.85 1.43 3.01 -1.26 -3.55 117.46 117.91 1t3k n PHE 51 Ca 0.00 -0.10 0.03 0.00 1.01 0.00 0.00 57.45 58.39 1t3k n PHE 51 Cb 0.34 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.92 1t3k n PHE 51 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1t3k n ASP 52 N 0.01 1.83 -0.00 4.37 8.00 -1.26 -2.65 116.55 126.85 1t3k n ASP 52 Ca 0.12 -2.14 0.02 0.00 0.71 0.00 0.00 54.79 53.50 1t3k n ASP 52 Cb 0.22 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1t3k n ASP 53 N 0.19 2.64 -0.00 -2.24 -0.08 -1.23 -4.65 116.55 111.18 1t3k n ASP 53 Ca 0.08 -0.22 0.04 0.00 -1.51 0.00 0.00 54.79 53.18 1t3k n ASP 53 Cb 0.36 1.11 -0.06 0.00 2.34 0.00 0.00 41.12 44.88 1t3k n ASP 53 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1t3k n LYS 54 N -1.43 2.32 -0.26 -0.67 2.85 -1.20 -4.60 118.16 115.16 1t3k n LYS 54 Ca -0.00 -0.04 0.02 0.00 -1.05 0.00 0.00 58.31 57.24 1t3k n LYS 54 Cb 0.08 -1.04 0.15 0.00 -0.65 0.00 0.00 35.03 33.58 1t3k n LYS 54 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 1t3k h ILE 55 N 0.00 0.87 -0.79 0.58 -0.00 -1.77 0.64 117.51 117.04 1t3k h ILE 55 Ca 0.00 -0.23 0.21 0.00 -0.00 0.00 0.00 64.86 64.83 1t3k h ILE 55 Cb 0.29 0.13 -0.04 0.00 -0.00 0.00 0.00 36.82 37.20 1t3k h ILE 55 CO 0.00 0.12 0.55 -1.28 -0.00 0.00 0.00 178.15 177.54 1t3k h SER 56 N 0.68 0.15 -0.01 2.19 0.87 -1.86 0.71 113.55 116.29 1t3k h SER 56 Ca 0.37 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.79 1t3k h SER 56 Cb 0.37 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1t3k h SER 56 CO -0.26 0.06 -0.60 -0.74 -0.53 0.00 0.00 176.83 174.76 1t3k h HIS 57 N 0.15 0.62 -0.61 2.24 -0.00 -1.21 -2.58 115.15 113.76 1t3k h HIS 57 Ca 0.39 -0.33 0.12 0.00 -0.00 0.00 0.00 60.37 60.54 1t3k h HIS 57 Cb 1.30 -0.07 -0.09 0.00 -0.00 0.00 0.00 27.41 28.55 1t3k h HIS 57 CO -0.00 1.15 0.14 -0.07 -0.00 0.00 0.00 177.93 179.14 1t3k h LEU 58 N -0.09 0.01 -0.58 0.26 3.38 0.07 0.63 115.31 118.99 1t3k h LEU 58 Ca -0.07 0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1t3k h LEU 58 Cb 1.31 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1t3k h LEU 58 CO 0.12 0.01 -0.54 0.58 0.09 0.00 0.00 178.44 178.70 1t3k h VAL 59 N 0.27 1.33 0.00 1.22 2.07 -1.61 -2.78 116.25 116.74 1t3k h VAL 59 Ca 0.32 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1t3k h VAL 59 Cb 0.48 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1t3k h VAL 59 CO -0.41 0.55 0.00 1.67 0.02 0.00 0.00 177.57 179.40 1t3k n GLN 60 N -3.95 0.17 0.16 1.57 -0.06 0.21 -2.92 117.38 112.56 1t3k n GLN 60 Ca -0.03 0.06 0.05 0.00 -2.00 0.00 0.00 57.00 55.08 1t3k n GLN 60 Cb 0.59 -1.50 0.52 0.00 -4.06 0.00 0.00 30.24 25.79 1t3k n GLN 60 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1t3k h ASN 61 N 0.00 0.16 -6.76 1.69 -0.26 -0.85 -3.46 115.58 106.09 1t3k h ASN 61 Ca 0.00 -0.01 -0.55 0.00 -0.56 0.00 0.00 56.30 55.17 1t3k h ASN 61 Cb 0.01 -0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 37.16 1t3k h ASN 61 CO 0.00 0.19 -0.96 0.55 -1.06 0.00 0.00 177.43 176.15 1t3k n VAL 62 N -4.44 -2.78 1.76 2.81 3.14 -1.15 -4.81 118.33 112.86 1t3k n VAL 62 Ca -0.01 -0.60 0.03 0.00 -2.96 0.00 0.00 64.34 60.80 1t3k n VAL 62 Cb 0.14 -2.31 0.20 0.00 -1.06 0.00 0.00 33.84 30.81 1t3k n VAL 62 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1t3k n LYS 63 N -4.61 0.88 0.00 1.45 5.02 -1.26 -4.90 118.16 114.74 1t3k n LYS 63 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 1t3k n LYS 63 Cb 0.64 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 1t3k n LYS 63 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1t3k n ASP 64 N -0.62 0.00 -4.34 4.39 9.92 -1.26 -4.50 116.55 120.15 1t3k n ASP 64 Ca 0.05 0.00 -0.47 0.00 -0.53 0.00 0.00 54.79 53.84 1t3k n ASP 64 Cb 0.02 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.49 1t3k n ASP 64 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1t3k s LYS 65 N 0.00 3.68 -0.25 -1.24 0.00 -1.26 -4.44 119.74 116.22 1t3k s LYS 65 Ca 0.00 -2.52 -0.08 0.00 0.00 0.00 0.00 55.97 53.38 1t3k s LYS 65 Cb 0.00 -4.47 0.12 0.00 0.00 0.00 0.00 37.83 33.48 1t3k s LYS 65 CO 0.00 -1.31 0.53 0.16 0.00 0.00 0.00 175.35 174.73 1t3k s ASP 66 N 2.13 -0.70 -0.09 0.03 -4.77 -1.25 -4.71 116.67 107.31 1t3k s ASP 66 Ca 0.20 1.20 0.04 0.00 -3.30 0.00 0.00 52.55 50.69 1t3k s ASP 66 Cb -0.10 1.81 0.00 0.00 -1.09 0.00 0.00 42.92 43.55 1t3k s ASP 66 CO -0.09 -0.23 -0.23 0.42 0.70 0.00 0.00 175.17 175.74 1t3k s THR 67 N 2.75 1.97 -0.16 2.11 -4.23 2.28 0.45 115.64 120.81 1t3k s THR 67 Ca -0.01 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.49 1t3k s THR 67 Cb -0.12 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 1t3k s THR 67 CO -0.16 0.54 -0.04 -1.48 -0.54 0.00 0.00 174.62 172.94 1t3k s LEU 68 N 0.34 3.22 -0.21 4.79 0.05 -0.89 -0.14 118.68 125.83 1t3k s LEU 68 Ca -0.18 -0.15 -0.03 0.00 0.05 0.00 0.00 54.13 53.82 1t3k s LEU 68 Cb -0.17 -1.78 -0.01 0.00 -2.05 0.00 0.00 46.19 42.18 1t3k s LEU 68 CO 0.08 0.15 -0.06 0.68 -0.55 0.00 0.00 176.35 176.65 1t3k s VAL 69 N 0.45 3.23 0.15 1.48 -7.23 -0.19 -0.69 120.40 117.61 1t3k s VAL 69 Ca -0.04 -0.54 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 1t3k s VAL 69 Cb -0.14 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1t3k s VAL 69 CO 0.03 0.44 0.22 0.72 -0.31 0.00 0.00 175.10 176.20 1t3k s PHE 70 N 1.36 3.35 0.00 2.82 -0.12 -0.82 0.08 117.98 124.66 1t3k s PHE 70 Ca 0.04 0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.99 1t3k s PHE 70 Cb -0.14 -1.61 0.00 0.00 -0.63 0.00 0.00 43.02 40.64 1t3k s PHE 70 CO -0.04 0.52 0.00 1.58 -0.05 0.00 0.00 175.22 177.23 1t3k n HIS 71 N -0.45 0.00 -3.85 3.49 -0.00 -0.53 -4.04 115.22 109.84 1t3k n HIS 71 Ca -0.07 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.79 1t3k n HIS 71 Cb 0.54 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.42 1t3k n HIS 71 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1t3k n SER 72 N 0.00 -3.87 0.00 0.26 2.88 -1.26 -4.40 113.62 107.23 1t3k n SER 72 Ca 0.00 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1t3k n SER 72 Cb 0.00 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k n ALA 73 N -3.49 0.00 0.00 -1.46 0.00 -1.26 -4.89 120.51 109.42 1t3k n ALA 73 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1t3k n ALA 73 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1t3k n ALA 73 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1t3k n LEU 74 N -2.16 0.95 -3.07 0.00 7.94 -1.26 -4.64 117.00 114.76 1t3k n LEU 74 Ca 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.69 1t3k n LEU 74 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1t3k n LEU 74 CO 0.00 0.08 -0.06 -0.24 -1.11 0.00 0.00 177.39 176.06 1t3k n SER 75 N -2.15 -4.48 -2.79 1.96 2.88 -1.26 -4.86 113.62 102.91 1t3k n SER 75 Ca 0.00 -0.24 -0.18 0.00 -1.33 0.00 0.00 58.87 57.12 1t3k n SER 75 Cb 0.22 -3.70 -0.00 0.00 -0.75 0.00 0.00 64.21 59.98 1t3k n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k n GLN 76 N -3.62 1.94 0.00 -1.46 6.02 -1.26 -4.92 117.38 114.08 1t3k n GLN 76 Ca -0.07 -3.81 0.00 0.00 -0.01 0.00 0.00 57.00 53.10 1t3k n GLN 76 Cb 0.58 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.11 1t3k n GLN 76 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1t3k n VAL 77 N -0.10 0.00 0.17 5.09 0.24 -1.26 -4.86 118.33 117.60 1t3k n VAL 77 Ca 0.23 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.58 1t3k n VAL 77 Cb 0.68 0.00 0.16 0.00 -1.47 0.00 0.00 33.84 33.21 1t3k n VAL 77 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1t3k h ARG 78 N 2.50 0.00 -0.86 7.34 2.43 -1.95 -3.32 114.38 120.53 1t3k h ARG 78 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 1t3k h ARG 78 Cb 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.40 1t3k h ARG 78 CO 0.00 0.40 -0.35 0.78 -1.51 0.00 0.00 179.97 179.29 1t3k h GLY 79 N 3.04 0.09 1.00 2.80 0.00 -1.93 1.28 103.07 109.34 1t3k h GLY 79 Ca -0.00 0.47 0.11 0.00 0.00 0.00 0.00 47.33 47.90 1t3k h GLY 79 CO 0.05 -0.22 0.41 -0.56 0.00 0.00 0.00 176.54 176.22 1t3k h PRO 80 N -0.05 0.36 -0.95 4.80 0.13 -1.96 0.24 132.00 134.56 1t3k h PRO 80 Ca 0.32 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.44 1t3k h PRO 80 Cb 0.59 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.59 1t3k h PRO 80 CO -0.88 0.24 0.63 1.15 -0.23 0.00 0.00 178.00 178.90 1t3k h THR 81 N 0.37 1.24 -0.85 1.56 2.02 0.14 0.24 112.91 117.64 1t3k h THR 81 Ca 0.28 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1t3k h THR 81 Cb 0.62 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 1t3k h THR 81 CO -0.08 0.24 0.40 0.00 0.37 0.00 0.00 175.52 176.45 1t3k h ALA 83 N 1.22 1.69 -0.52 0.00 0.00 -0.02 0.31 119.26 121.93 1t3k h ALA 83 Ca 0.29 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1t3k h ALA 83 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1t3k h ALA 83 CO -0.03 0.26 0.35 -0.09 0.00 0.00 0.00 179.25 179.73 1t3k h ARG 84 N 0.43 0.61 -0.56 0.00 2.43 0.16 0.33 114.38 117.77 1t3k h ARG 84 Ca 0.11 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1t3k h ARG 84 Cb 0.04 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1t3k h ARG 84 CO -0.02 0.40 0.11 0.00 -1.51 0.00 0.00 179.97 178.96 1t3k h ARG 85 N 0.63 0.89 -0.67 0.20 2.47 0.12 -0.09 114.38 117.93 1t3k h ARG 85 Ca 0.20 -0.20 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1t3k h ARG 85 Cb 0.04 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 1t3k h ARG 85 CO -0.05 0.81 0.44 1.25 0.56 0.00 0.00 179.97 182.98 1t3k h LEU 86 N 0.84 0.68 -1.31 3.04 7.12 0.11 0.62 115.31 126.41 1t3k h LEU 86 Ca 0.18 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.16 1t3k h LEU 86 Cb 0.34 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 1t3k h LEU 86 CO 0.00 0.46 0.23 0.58 -0.13 0.00 0.00 178.44 179.59 1t3k h VAL 87 N 0.78 1.17 -0.26 1.05 2.07 0.15 0.16 116.25 121.37 1t3k h VAL 87 Ca 0.27 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1t3k h VAL 87 Cb 0.10 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1t3k h VAL 87 CO -0.08 0.21 0.18 -0.55 0.02 0.00 0.00 177.57 177.35 1t3k h ASN 88 N 0.71 0.08 -0.16 0.57 -1.07 0.12 0.14 115.58 115.96 1t3k h ASN 88 Ca 0.18 -0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.45 1t3k h ASN 88 Cb 0.09 -0.02 -0.00 0.00 -2.07 0.00 0.00 38.32 36.33 1t3k h ASN 88 CO -0.02 0.05 -0.28 0.22 0.07 0.00 0.00 177.43 177.48 1t3k h TYR 89 N 0.09 0.58 -0.85 4.14 5.03 -0.22 -1.11 116.97 124.64 1t3k h TYR 89 Ca 0.12 -0.20 0.09 0.00 2.58 0.00 0.00 58.73 61.32 1t3k h TYR 89 Cb 0.36 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 38.47 1t3k h TYR 89 CO -0.00 0.91 0.55 1.25 -1.32 0.00 0.00 178.16 179.55 1t3k h LEU 90 N 0.10 0.75 -1.09 2.82 7.12 -0.25 0.48 115.31 125.24 1t3k h LEU 90 Ca 0.01 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 57.94 1t3k h LEU 90 Cb 0.86 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 1t3k h LEU 90 CO 0.06 0.45 -0.45 -0.78 -0.13 0.00 0.00 178.44 177.59 1t3k h ASP 91 N 0.83 0.00 0.05 1.25 3.58 -0.62 0.21 116.42 121.72 1t3k h ASP 91 Ca 0.39 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.84 1t3k h ASP 91 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1t3k h ASP 91 CO -0.16 0.45 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.30 1t3k h GLU 92 N 0.00 -0.07 -0.85 0.28 5.08 0.12 -3.39 114.58 115.76 1t3k h GLU 92 Ca -0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1t3k h GLU 92 Cb 0.81 0.02 -0.39 0.00 0.50 0.00 0.00 28.75 29.68 1t3k h GLU 92 CO 0.06 -0.04 -0.34 1.63 -1.00 0.00 0.00 179.01 179.31 1t3k n LYS 93 N -2.35 3.36 -2.16 2.33 4.76 -0.31 -5.01 118.16 118.77 1t3k n LYS 93 Ca -0.01 -3.93 0.00 0.00 -2.87 0.00 0.00 58.31 51.50 1t3k n LYS 93 Cb 0.03 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 30.94 1t3k n LYS 93 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1t3k n LYS 94 N -0.76 -0.51 0.00 1.97 2.85 0.73 -4.55 118.16 117.89 1t3k n LYS 94 Ca 0.49 0.66 0.00 0.00 -1.05 0.00 0.00 58.31 58.41 1t3k n LYS 94 Cb 0.87 -0.59 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 1t3k n LYS 94 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1t3k n GLU 95 N 1.52 0.00 -0.95 -1.58 0.28 -1.16 -5.00 120.64 113.75 1t3k n GLU 95 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1t3k n GLU 95 Cb 0.17 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1t3k n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1t3k n ASP 96 N -3.00 -1.27 0.00 -1.84 2.03 -1.26 -4.71 116.55 106.51 1t3k n ASP 96 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1t3k n ASP 96 Cb 0.00 -0.64 -0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1t3k n ASP 96 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1t3k h THR 97 N 0.00 0.00 0.00 5.18 2.02 -1.96 -3.47 112.91 114.68 1t3k h THR 97 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1t3k h THR 97 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1t3k h THR 97 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1t3k n GLY 98 N -1.01 2.14 3.77 2.16 0.00 -1.26 -4.82 105.19 106.18 1t3k n GLY 98 Ca -0.00 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 1t3k n GLY 98 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t3k s ILE 99 N 0.00 2.71 0.28 -0.61 -0.00 -1.26 -4.78 121.20 117.54 1t3k s ILE 99 Ca 0.00 0.69 0.01 0.00 -0.00 0.00 0.00 60.65 61.35 1t3k s ILE 99 Cb 0.00 -3.43 0.28 0.00 -0.00 0.00 0.00 42.46 39.30 1t3k s ILE 99 CO 0.00 0.15 1.69 0.50 -0.00 0.00 0.00 174.94 177.28 1t3k h LYS 100 N 3.18 0.35 -2.37 0.37 3.64 0.94 -3.41 116.57 119.28 1t3k h LYS 100 Ca -0.49 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 1t3k h LYS 100 Cb 1.23 -0.08 -0.25 0.00 -0.41 0.00 0.00 32.23 32.73 1t3k h LYS 100 CO 0.65 0.23 -0.22 1.21 -2.27 0.00 0.00 179.45 179.04 1t3k s ASN 101 N -5.20 -0.63 -0.15 4.20 3.84 -1.21 -4.98 114.94 110.81 1t3k s ASN 101 Ca -0.12 1.16 -0.26 0.00 0.21 0.00 0.00 52.86 53.86 1t3k s ASN 101 Cb 0.24 1.31 -0.02 0.00 -0.55 0.00 0.00 41.25 42.23 1t3k s ASN 101 CO 0.77 -0.22 0.85 0.27 -2.79 0.00 0.00 177.10 175.99 1t3k s ILE 102 N 2.03 4.87 0.23 -5.21 -0.00 -1.26 -2.09 121.20 119.77 1t3k s ILE 102 Ca -0.07 1.69 -0.01 0.00 -0.00 0.00 0.00 60.65 62.26 1t3k s ILE 102 Cb -0.09 -4.16 -0.03 0.00 -0.00 0.00 0.00 42.46 38.18 1t3k s ILE 102 CO -0.15 0.03 0.20 -0.04 -0.00 0.00 0.00 174.94 174.98 1t3k s MET 103 N 2.06 1.35 0.14 0.37 -1.94 0.13 -1.99 119.30 119.42 1t3k s MET 103 Ca 0.40 -1.65 0.06 0.00 -1.71 0.00 0.00 55.69 52.78 1t3k s MET 103 Cb -0.17 0.31 -0.04 0.00 2.01 0.00 0.00 34.83 36.94 1t3k s MET 103 CO 0.13 -0.47 -0.13 0.42 -0.01 0.00 0.00 175.02 174.96 1t3k s ILE 104 N -3.99 1.33 -0.13 2.53 1.01 0.40 -1.94 121.20 120.40 1t3k s ILE 104 Ca 0.37 -1.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.09 1t3k s ILE 104 Cb 0.05 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1t3k s ILE 104 CO 0.14 -0.53 0.12 -1.48 0.00 0.00 0.00 174.94 173.20 1t3k s LEU 105 N -2.74 4.27 0.04 2.97 -0.00 -1.26 -0.93 118.68 121.03 1t3k s LEU 105 Ca 0.12 0.39 0.13 0.00 -0.00 0.00 0.00 54.13 54.78 1t3k s LEU 105 Cb -0.02 -2.04 -0.18 0.00 -0.00 0.00 0.00 46.19 43.94 1t3k s LEU 105 CO 0.03 0.37 0.87 -0.33 -0.00 0.00 0.00 176.35 177.29 1t3k h GLU 106 N 5.26 0.00 -1.62 1.48 5.08 -1.90 -3.39 114.58 119.50 1t3k h GLU 106 Ca -0.52 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.38 1t3k h GLU 106 Cb 1.21 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.06 1t3k h GLU 106 CO 0.60 0.53 -1.11 -2.13 -1.00 0.00 0.00 179.01 175.90 1t3k n ARG 107 N -3.07 1.46 -0.64 2.33 3.00 -1.26 -5.00 116.66 113.48 1t3k n ARG 107 Ca -0.11 -3.57 -0.20 0.00 -0.00 0.00 0.00 57.85 53.97 1t3k n ARG 107 Cb 0.95 -1.63 -0.02 0.00 0.00 0.00 0.00 32.46 31.76 1t3k n ARG 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1t3k n GLY 108 N 0.04 2.81 2.44 5.14 0.00 -1.26 -4.46 105.19 109.90 1t3k n GLY 108 Ca 0.21 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 1t3k n GLY 108 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1t3k n PHE 109 N 4.62 -1.72 -0.01 1.61 -1.74 -1.26 -4.23 117.46 114.74 1t3k n PHE 109 Ca 0.38 0.05 -0.03 0.00 -0.56 0.00 0.00 57.45 57.29 1t3k n PHE 109 Cb 0.13 -0.95 0.21 0.00 1.52 0.00 0.00 39.48 40.39 1t3k n PHE 109 CO 0.00 0.00 0.00 -2.95 -0.56 0.00 0.00 176.76 173.25 1t3k h ASN 110 N -0.06 0.54 -0.54 5.98 -1.07 -1.88 -1.38 115.58 117.17 1t3k h ASN 110 Ca -0.04 -0.16 -0.10 0.00 0.07 0.00 0.00 56.30 56.07 1t3k h ASN 110 Cb 0.92 -0.14 -0.02 0.00 -2.07 0.00 0.00 38.32 37.00 1t3k h ASN 110 CO 0.07 0.72 -0.04 1.23 0.07 0.00 0.00 177.43 179.48 1t3k h GLY 111 N 0.97 1.06 0.62 9.14 0.00 -1.89 0.18 103.07 113.15 1t3k h GLY 111 Ca 0.08 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 1t3k h GLY 111 CO 0.04 0.74 -0.05 -0.25 0.00 0.00 0.00 176.54 177.02 1t3k h TRP 112 N 0.85 -0.12 0.00 5.60 2.91 -1.77 1.46 115.95 124.88 1t3k h TRP 112 Ca 0.15 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 1t3k h TRP 112 Cb 0.59 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 1t3k h TRP 112 CO 0.04 0.25 -0.00 1.49 -1.03 0.00 0.00 178.44 179.19 1t3k h GLU 113 N -0.52 -0.01 -0.01 2.65 4.22 -1.27 2.64 114.58 122.28 1t3k h GLU 113 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 1t3k h GLU 113 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1t3k h GLU 113 CO 0.02 0.19 -0.00 0.00 -2.18 0.00 0.00 179.01 177.04 1t3k h ALA 114 N 0.79 0.02 -0.33 2.92 0.00 -0.68 -3.39 119.26 118.60 1t3k h ALA 114 Ca -0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1t3k h ALA 114 Cb 0.20 -0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.60 1t3k h ALA 114 CO 0.00 -0.31 -1.03 0.45 0.00 0.00 0.00 179.25 178.36 1t3k n SER 115 N -4.91 1.78 -0.09 0.00 2.88 0.48 -4.86 113.62 108.90 1t3k n SER 115 Ca -0.08 -2.30 -0.18 0.00 -1.33 0.00 0.00 58.87 54.98 1t3k n SER 115 Cb 0.19 -0.42 -0.06 0.00 -0.75 0.00 0.00 64.21 63.17 1t3k n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3k n GLY 116 N -0.34 -0.32 0.00 0.46 0.00 0.87 -4.70 105.19 101.16 1t3k n GLY 116 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t3k n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1t3k n LYS 117 N -3.91 0.00 -1.86 1.61 4.81 -0.48 -4.99 118.16 113.34 1t3k n LYS 117 Ca -0.33 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 56.89 1t3k n LYS 117 Cb 0.70 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.69 1t3k n LYS 117 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1t3k s PRO 118 N 0.00 2.13 -0.01 1.64 0.04 -1.26 -4.95 135.00 132.60 1t3k s PRO 118 Ca 0.00 -0.12 -0.02 0.00 0.04 0.00 0.00 61.00 60.91 1t3k s PRO 118 Cb 0.00 -4.98 -0.04 0.00 0.04 0.00 0.00 34.50 29.52 1t3k s PRO 118 CO 0.00 -3.94 0.13 0.14 0.04 0.00 0.00 177.00 173.37 1t3k s VAL 119 N 12.23 5.09 0.00 -0.36 -7.23 -1.26 -4.89 120.40 123.98 1t3k s VAL 119 Ca 0.78 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 1t3k s VAL 119 Cb -0.08 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.50 1t3k s VAL 119 CO 0.05 0.34 0.00 0.00 -0.31 0.00 0.00 175.10 175.17 1t3k n ARG 121 N 0.00 -3.83 -0.82 0.00 1.85 -1.26 -4.43 116.66 108.17 1t3k n ARG 121 Ca 0.00 0.52 -0.30 0.00 -1.00 0.00 0.00 57.85 57.07 1t3k n ARG 121 Cb 0.00 -4.58 0.08 0.00 -1.05 0.00 0.00 32.46 26.91 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3k n ALA 123 N -3.83 0.00 -3.66 0.00 0.00 -1.26 -5.11 120.51 106.64 1t3k n ALA 123 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1t3k n ALA 123 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 1t3k n ALA 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1t3k n GLU 124 N 0.00 0.40 0.01 0.00 4.71 -1.26 -5.04 120.64 119.45 1t3k n GLU 124 Ca 0.00 -1.77 -0.13 0.00 -0.01 0.00 0.00 57.16 55.25 1t3k n GLU 124 Cb 0.00 1.65 -0.09 0.00 -1.01 0.00 0.00 31.44 31.99 1t3k n GLU 124 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1t3k h VAL 125 N 1.63 1.28 0.04 2.62 2.07 -2.04 -3.34 116.25 118.51 1t3k h VAL 125 Ca -0.16 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 1t3k h VAL 125 Cb 0.73 1.95 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1t3k h VAL 125 CO 0.22 0.26 -0.42 1.55 0.02 0.00 0.00 177.57 179.20 1t3k h PRO 126 N -0.48 0.22 0.00 1.57 0.13 -2.06 -3.47 132.00 127.91 1t3k h PRO 126 Ca -0.00 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1t3k h PRO 126 Cb 0.45 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1t3k h PRO 126 CO 0.01 1.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.83 1t3k n LYS 128 N -1.72 -0.84 0.00 0.00 0.00 -1.26 -4.48 118.16 109.85 1t3k n LYS 128 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 1t3k n LYS 128 Cb 0.00 -1.03 0.00 0.00 -0.00 0.00 0.00 35.03 34.00 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1t3k n GLY 129 N -1.32 -0.37 2.80 2.58 0.00 -1.25 -4.90 105.19 102.73 1t3k n GLY 129 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1t3k n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t3k s ASP 130 N -1.49 1.12 -1.60 1.61 2.15 0.19 -4.42 116.67 114.22 1t3k s ASP 130 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.98 1t3k s ASP 130 Cb 0.00 0.41 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1t3k s ASP 130 CO 0.00 -0.30 0.00 0.00 -0.17 0.00 0.00 175.17 174.70