#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 -2.42 -3.60 3.04 0.00 -1.26 -5.03 120.51 111.24 1t3k n ALA 2 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1t3k n ALA 2 Cb 0.00 -5.18 -0.05 0.00 0.00 0.00 0.00 19.45 14.23 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 -4.20 0.41 2.62 0.00 0.00 -1.26 -5.01 119.30 111.86 1t3k s MET 3 Ca 0.40 0.11 0.00 0.00 0.00 0.00 0.00 55.69 56.19 1t3k s MET 3 Cb -0.05 0.19 0.00 0.00 0.00 0.00 0.00 34.83 34.97 1t3k s MET 3 CO 0.71 -0.13 0.00 0.00 0.00 0.00 0.00 175.02 175.61 1t3k n ALA 4 N 0.69 0.00 -1.19 3.16 0.00 -1.26 -5.02 120.51 116.89 1t3k n ALA 4 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.52 1t3k n ALA 4 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 1t3k n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t3k n ARG 5 N -0.55 -2.65 -0.80 0.00 3.00 -1.26 -4.87 116.66 109.53 1t3k n ARG 5 Ca 0.00 2.04 0.00 0.00 -0.01 0.00 0.00 57.85 59.88 1t3k n ARG 5 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 32.46 29.33 1t3k n ARG 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1t3k n SER 6 N -3.98 0.00 -3.11 0.55 7.64 -1.26 -4.55 113.62 108.91 1t3k n SER 6 Ca -0.05 -0.88 -0.16 0.00 1.01 0.00 0.00 58.87 58.79 1t3k n SER 6 Cb 0.56 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.74 1t3k n SER 6 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1t3k n ILE 7 N -0.96 -0.40 -4.08 0.44 -0.00 0.51 -4.87 119.36 110.00 1t3k n ILE 7 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.64 1t3k n ILE 7 Cb 0.00 -0.92 -0.07 0.00 -0.00 0.00 0.00 39.64 38.65 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1t3k s SER 8 N -2.44 0.10 0.45 4.38 1.04 -0.86 -4.91 113.70 111.47 1t3k s SER 8 Ca 0.27 -1.16 -0.10 0.00 0.48 0.00 0.00 55.95 55.44 1t3k s SER 8 Cb -0.15 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 1t3k s SER 8 CO 0.33 -1.04 0.81 -0.72 0.98 0.00 0.00 173.24 173.60 1t3k s TYR 9 N -3.99 3.50 -0.05 5.02 -0.85 -1.26 -1.30 117.35 118.43 1t3k s TYR 9 Ca 0.30 1.04 0.05 0.00 -0.52 0.00 0.00 57.07 57.93 1t3k s TYR 9 Cb 0.02 -2.45 -0.01 0.00 0.38 0.00 0.00 41.96 39.90 1t3k s TYR 9 CO 0.11 -0.21 -0.20 0.96 -1.52 0.00 0.00 175.55 174.69 1t3k s ILE 10 N -2.55 1.67 0.83 -3.49 -4.36 -0.73 -4.78 121.20 107.79 1t3k s ILE 10 Ca 0.51 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 59.93 1t3k s ILE 10 Cb -0.10 -1.42 0.09 0.00 1.25 0.00 0.00 42.46 42.28 1t3k s ILE 10 CO 0.36 0.47 1.19 -0.89 0.24 0.00 0.00 174.94 176.32 1t3k s THR 11 N -0.00 2.00 0.23 8.37 2.01 -1.26 -3.42 115.64 123.57 1t3k s THR 11 Ca -0.05 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 1t3k s THR 11 Cb -0.13 -2.98 0.28 0.00 0.01 0.00 0.00 72.50 69.68 1t3k s THR 11 CO 0.03 0.00 1.51 -0.24 -0.69 0.00 0.00 174.62 175.23 1t3k n SER 12 N -3.39 -0.57 -0.00 3.53 2.88 -1.26 0.47 113.62 115.27 1t3k n SER 12 Ca 0.09 1.69 -0.12 0.00 -1.33 0.00 0.00 58.87 59.20 1t3k n SER 12 Cb 0.61 -0.41 0.02 0.00 -0.75 0.00 0.00 64.21 63.67 1t3k n SER 12 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1t3k h THR 13 N 0.00 1.32 -0.17 2.46 1.35 -2.01 -2.63 112.91 113.23 1t3k h THR 13 Ca 0.36 -1.88 0.05 0.00 -0.55 0.00 0.00 66.41 64.39 1t3k h THR 13 Cb 0.61 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1t3k h THR 13 CO -0.97 0.59 0.17 1.56 -0.25 0.00 0.00 175.52 176.61 1t3k h GLN 14 N 0.45 0.00 0.00 4.72 4.20 -0.31 0.69 115.11 124.86 1t3k h GLN 14 Ca -0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1t3k h GLN 14 Cb 1.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1t3k h GLN 14 CO 0.12 0.00 -0.25 1.25 -0.67 0.00 0.00 178.83 179.28 1t3k h LEU 15 N 0.00 0.00 0.15 1.46 6.46 0.04 -3.14 115.31 120.28 1t3k h LEU 15 Ca 0.08 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1t3k h LEU 15 Cb 0.41 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1t3k h LEU 15 CO -0.00 0.25 -0.16 0.25 -0.62 0.00 0.00 178.44 178.16 1t3k h LEU 16 N 0.00 -0.42 -0.37 2.25 6.46 0.44 -3.01 115.31 120.66 1t3k h LEU 16 Ca -0.00 0.04 -0.19 0.00 -0.12 0.00 0.00 57.88 57.61 1t3k h LEU 16 Cb 0.95 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1t3k h LEU 16 CO 0.03 -0.24 -0.68 1.55 -0.62 0.00 0.00 178.44 178.48 1t3k h PRO 17 N -0.34 0.56 -4.09 5.25 0.13 -1.65 -3.47 132.00 128.39 1t3k h PRO 17 Ca 0.01 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1t3k h PRO 17 Cb 0.33 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1t3k h PRO 17 CO -0.05 1.04 0.00 1.47 -0.23 0.00 0.00 178.00 180.23 1t3k n LEU 18 N -3.90 0.00 0.00 1.56 -0.00 -1.14 -0.02 117.00 113.50 1t3k n LEU 18 Ca -0.05 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.32 1t3k n LEU 18 Cb 0.68 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1t3k n LEU 18 CO 0.49 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 179.45 1t3k n HIS 19 N -2.02 0.00 -3.81 1.47 -0.00 -1.26 -4.12 115.22 105.48 1t3k n HIS 19 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.48 1t3k n HIS 19 Cb 0.36 -0.24 0.01 0.00 -0.00 0.00 0.00 29.99 30.12 1t3k n HIS 19 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1t3k n ARG 20 N -1.72 -3.70 -4.76 1.57 0.63 0.97 -4.99 116.66 104.67 1t3k n ARG 20 Ca 0.00 0.51 -0.24 0.00 -0.92 0.00 0.00 57.85 57.19 1t3k n ARG 20 Cb 0.00 -4.77 -0.15 0.00 0.45 0.00 0.00 32.46 27.99 1t3k n ARG 20 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1t3k s ARG 21 N -6.21 1.42 0.00 -0.14 1.81 -1.26 -5.02 118.95 109.55 1t3k s ARG 21 Ca 0.06 -0.56 0.15 0.00 -1.72 0.00 0.00 55.73 53.65 1t3k s ARG 21 Cb -0.02 -1.32 0.64 0.00 -0.45 0.00 0.00 34.95 33.80 1t3k s ARG 21 CO 0.85 0.30 1.46 -2.30 -0.68 0.00 0.00 175.30 174.93 1t3k n PRO 22 N 2.87 0.04 -0.39 3.54 -0.02 -1.26 -2.88 135.00 136.89 1t3k n PRO 22 Ca -0.16 0.23 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 1t3k n PRO 22 Cb 0.54 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.65 1t3k n PRO 22 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1t3k n ASN 23 N -1.46 2.98 -4.73 2.55 3.02 -1.26 -4.89 115.26 111.47 1t3k n ASN 23 Ca 0.04 -2.44 -0.35 0.00 -0.03 0.00 0.00 54.58 51.80 1t3k n ASN 23 Cb 0.16 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 38.66 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1t3k s ILE 24 N -1.54 5.27 -0.25 2.41 2.07 -1.14 0.39 121.20 128.41 1t3k s ILE 24 Ca 0.21 0.14 -0.12 0.00 -1.41 0.00 0.00 60.65 59.47 1t3k s ILE 24 Cb 0.17 -3.38 0.09 0.00 0.13 0.00 0.00 42.46 39.46 1t3k s ILE 24 CO 0.05 0.47 0.59 0.00 -1.91 0.00 0.00 174.94 174.14 1t3k s ALA 25 N 0.19 -1.67 -0.20 1.50 0.00 -0.75 -4.96 121.76 115.86 1t3k s ALA 25 Ca 0.08 2.11 -0.21 0.00 0.00 0.00 0.00 51.96 53.94 1t3k s ALA 25 Cb -0.11 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 1t3k s ALA 25 CO -0.01 -0.57 0.65 0.42 0.00 0.00 0.00 175.76 176.26 1t3k s ILE 26 N 2.08 5.00 -0.04 0.00 1.01 -1.26 -2.50 121.20 125.51 1t3k s ILE 26 Ca -0.08 1.23 -0.13 0.00 0.00 0.00 0.00 60.65 61.67 1t3k s ILE 26 Cb -0.09 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 1t3k s ILE 26 CO -0.17 0.10 0.35 0.27 0.00 0.00 0.00 174.94 175.48 1t3k s ILE 27 N 1.98 5.15 -0.02 2.92 -4.36 0.85 -0.62 121.20 127.09 1t3k s ILE 27 Ca 0.30 0.70 0.01 0.00 -0.26 0.00 0.00 60.65 61.39 1t3k s ILE 27 Cb -0.16 -3.65 0.02 0.00 1.25 0.00 0.00 42.46 39.92 1t3k s ILE 27 CO 0.10 0.57 -0.02 -1.81 0.24 0.00 0.00 174.94 174.03 1t3k s ASP 28 N -0.95 0.48 0.06 4.36 1.11 -0.92 -1.49 116.67 119.31 1t3k s ASP 28 Ca 0.22 -0.05 -0.20 0.00 0.18 0.00 0.00 52.55 52.69 1t3k s ASP 28 Cb -0.15 -0.19 -0.06 0.00 1.07 0.00 0.00 42.92 43.58 1t3k s ASP 28 CO 0.11 -0.04 0.60 0.54 1.18 0.00 0.00 175.17 177.55 1t3k s VAL 29 N 0.62 4.75 0.00 -1.27 0.11 -1.25 -1.42 120.40 121.94 1t3k s VAL 29 Ca -0.06 1.28 0.00 0.00 -2.93 0.00 0.00 61.98 60.26 1t3k s VAL 29 Cb -0.10 -3.93 0.00 0.00 -1.53 0.00 0.00 36.38 30.82 1t3k s VAL 29 CO -0.01 0.51 0.00 0.54 -3.33 0.00 0.00 175.10 172.81 1t3k n ARG 30 N 2.02 0.00 0.00 1.54 3.00 -0.58 -4.96 116.66 117.68 1t3k n ARG 30 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.75 1t3k n ARG 30 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1t3k n ARG 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1t3k n ASP 31 N -0.41 0.00 0.00 0.55 -0.08 -1.26 -4.69 116.55 110.67 1t3k n ASP 31 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1t3k n ASP 31 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1t3k n ASP 31 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1t3k n GLU 32 N 0.00 0.00 -0.03 -0.67 0.00 -1.26 -4.37 120.64 114.31 1t3k n GLU 32 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.97 1t3k n GLU 32 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.31 1t3k n GLU 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1t3k h GLU 33 N 0.00 0.13 0.00 5.31 4.11 -1.99 -3.18 114.58 118.96 1t3k h GLU 33 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.20 1t3k h GLU 33 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1t3k h GLU 33 CO 0.00 1.11 -0.22 -2.13 0.07 0.00 0.00 179.01 177.84 1t3k n ARG 34 N -4.25 0.15 0.10 1.06 0.63 -1.26 -2.58 116.66 110.51 1t3k n ARG 34 Ca -0.21 0.09 -0.22 0.00 -0.92 0.00 0.00 57.85 56.59 1t3k n ARG 34 Cb 0.73 -1.64 -0.15 0.00 0.45 0.00 0.00 32.46 31.85 1t3k n ARG 34 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 1t3k h ASN 35 N 0.00 0.64 0.91 6.15 -1.24 -1.91 -3.36 115.58 116.77 1t3k h ASN 35 Ca 0.00 -0.83 -0.20 0.00 0.71 0.00 0.00 56.30 55.98 1t3k h ASN 35 Cb 0.63 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 1t3k h ASN 35 CO 0.00 1.68 -1.16 1.88 -1.29 0.00 0.00 177.43 178.53 1t3k h TYR 36 N 0.11 0.00 -0.80 0.67 -1.99 -1.64 -3.35 116.97 109.98 1t3k h TYR 36 Ca -0.29 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.62 1t3k h TYR 36 Cb 2.10 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 40.72 1t3k h TYR 36 CO 0.10 0.83 0.29 0.38 -0.00 0.00 0.00 178.16 179.76 1t3k h ASP 37 N 0.00 0.20 0.00 3.88 2.03 -1.64 -3.48 116.42 117.40 1t3k h ASP 37 Ca -0.11 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1t3k h ASP 37 Cb 1.73 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 40.37 1t3k h ASP 37 CO 0.09 0.02 0.00 0.61 -1.03 0.00 0.00 179.24 178.93 1t3k n GLY 38 N -1.34 0.09 2.61 7.15 0.00 -1.26 -4.95 105.19 107.49 1t3k n GLY 38 Ca 0.17 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.03 1.61 8.25 -1.26 -4.72 115.22 117.08 1t3k n HIS 39 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1t3k n HIS 39 Cb 0.00 -2.33 -0.00 0.00 1.12 0.00 0.00 29.99 28.78 1t3k n HIS 39 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1t3k n ILE 40 N -2.39 0.00 -3.46 1.59 -6.64 -1.26 -4.62 119.36 102.57 1t3k n ILE 40 Ca -0.10 -0.05 -0.39 0.00 -1.77 0.00 0.00 62.75 60.44 1t3k n ILE 40 Cb 0.48 0.29 -0.10 0.00 -1.44 0.00 0.00 39.64 38.87 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1t3k s ALA 41 N 0.00 3.55 0.22 -1.28 0.00 -1.13 -4.77 121.76 118.35 1t3k s ALA 41 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1t3k s ALA 41 Cb 0.02 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1t3k s ALA 41 CO -0.01 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1t3k n GLY 42 N 4.79 -1.60 0.00 0.00 0.00 -0.43 -2.82 105.19 105.13 1t3k n GLY 42 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1t3k n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t3k n SER 43 N -3.21 0.00 -4.08 1.61 3.41 -1.26 -4.35 113.62 105.74 1t3k n SER 43 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1t3k n SER 43 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 1t3k n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1t3k s LEU 44 N -1.63 1.79 0.06 1.04 1.43 0.21 -4.85 118.68 116.74 1t3k s LEU 44 Ca 0.00 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 1t3k s LEU 44 Cb 0.00 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1t3k s LEU 44 CO 0.00 0.03 -0.22 -1.38 0.23 0.00 0.00 176.35 175.01 1t3k s HIS 45 N 0.91 1.91 0.00 0.29 -3.43 -1.26 -2.17 115.29 111.54 1t3k s HIS 45 Ca -0.08 -0.39 -0.28 0.00 -0.80 0.00 0.00 55.06 53.51 1t3k s HIS 45 Cb -0.15 -1.11 0.09 0.00 -1.43 0.00 0.00 32.58 29.98 1t3k s HIS 45 CO -0.01 0.14 0.81 1.52 -2.00 0.00 0.00 174.74 175.20 1t3k s TYR 46 N -0.90 -0.44 0.00 0.38 1.13 -0.51 -4.86 117.35 112.15 1t3k s TYR 46 Ca 0.08 0.42 0.00 0.00 -1.41 0.00 0.00 57.07 56.16 1t3k s TYR 46 Cb -0.09 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.28 1t3k s TYR 46 CO 0.03 -0.59 0.00 0.00 -2.51 0.00 0.00 175.55 172.47 1t3k n ALA 47 N 0.02 0.00 -1.36 9.51 0.00 -1.26 -1.53 120.51 125.89 1t3k n ALA 47 Ca -0.12 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1t3k n ALA 47 Cb 0.61 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.24 1t3k n ALA 47 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t3k n SER 48 N -1.08 2.00 0.31 0.00 7.64 -1.26 -4.38 113.62 116.85 1t3k n SER 48 Ca 0.00 -3.51 0.18 0.00 1.01 0.00 0.00 58.87 56.56 1t3k n SER 48 Cb 0.00 -0.48 0.99 0.00 -1.01 0.00 0.00 64.21 63.71 1t3k n SER 48 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1t3k h GLY 49 N 0.52 0.00 0.00 0.23 0.00 -1.97 -3.36 103.07 98.50 1t3k h GLY 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t3k h GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1t3k n SER 50 N -3.39 0.00 -1.34 0.19 7.64 -1.26 -5.01 113.62 110.44 1t3k n SER 50 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.75 1t3k n SER 50 Cb 0.13 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.29 1t3k n SER 50 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1t3k n PHE 51 N -1.19 -0.50 0.00 1.43 1.16 -1.26 -4.31 117.46 112.80 1t3k n PHE 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1t3k n PHE 51 Cb 0.00 -2.32 0.00 0.00 -1.61 0.00 0.00 39.48 35.55 1t3k n PHE 51 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1t3k n ASP 52 N -0.29 0.00 0.00 5.98 -0.08 -1.26 -4.36 116.55 116.54 1t3k n ASP 52 Ca -0.11 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.27 1t3k n ASP 52 Cb 0.37 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.44 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1t3k n ASP 53 N -1.33 0.00 -0.28 1.67 -0.08 -1.26 -2.94 116.55 112.33 1t3k n ASP 53 Ca 0.00 -0.98 0.05 0.00 -1.51 0.00 0.00 54.79 52.35 1t3k n ASP 53 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1t3k n LYS 54 N -0.90 1.64 -0.08 -0.67 4.76 -1.26 -4.13 118.16 117.52 1t3k n LYS 54 Ca 0.15 -0.75 -0.07 0.00 -2.87 0.00 0.00 58.31 54.77 1t3k n LYS 54 Cb 0.07 -1.12 -0.16 0.00 -1.84 0.00 0.00 35.03 31.99 1t3k n LYS 54 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1t3k n ILE 55 N -0.02 1.23 0.05 -0.18 -0.00 -1.15 -2.46 119.36 116.83 1t3k n ILE 55 Ca 0.05 -0.81 -0.16 0.00 -0.00 0.00 0.00 62.75 61.83 1t3k n ILE 55 Cb 0.23 -0.43 -0.14 0.00 -0.00 0.00 0.00 39.64 39.30 1t3k n ILE 55 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 1t3k h SER 56 N 0.00 0.32 -0.47 4.38 0.87 -1.81 0.16 113.55 117.00 1t3k h SER 56 Ca -0.47 -0.49 -0.10 0.00 -1.23 0.00 0.00 61.79 59.50 1t3k h SER 56 Cb 2.08 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.92 1t3k h SER 56 CO 0.03 1.41 -0.10 -0.74 -0.53 0.00 0.00 176.83 176.90 1t3k h HIS 57 N 0.06 1.01 0.11 2.24 6.17 -1.75 0.17 115.15 123.15 1t3k h HIS 57 Ca -0.26 -0.21 -0.28 0.00 0.71 0.00 0.00 60.37 60.33 1t3k h HIS 57 Cb 2.01 -0.25 0.02 0.00 2.52 0.00 0.00 27.41 31.70 1t3k h HIS 57 CO 0.05 0.98 -1.19 -0.07 0.71 0.00 0.00 177.93 178.41 1t3k h LEU 58 N 0.75 0.65 -1.36 0.26 3.38 -1.53 -2.46 115.31 115.00 1t3k h LEU 58 Ca 0.12 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1t3k h LEU 58 Cb 0.65 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1t3k h LEU 58 CO 0.04 1.44 0.46 0.58 0.09 0.00 0.00 178.44 181.06 1t3k h VAL 59 N 0.19 1.09 0.00 1.22 2.07 -0.46 -0.09 116.25 120.28 1t3k h VAL 59 Ca -0.15 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1t3k h VAL 59 Cb 1.87 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1t3k h VAL 59 CO 0.21 0.15 -0.09 1.56 0.02 0.00 0.00 177.57 179.43 1t3k h GLN 60 N 0.83 0.00 -0.95 1.57 1.08 -0.61 -3.32 115.11 113.71 1t3k h GLN 60 Ca 0.28 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.87 1t3k h GLN 60 Cb 0.09 0.00 -0.36 0.00 -0.05 0.00 0.00 27.48 27.15 1t3k h GLN 60 CO -0.08 0.00 -0.02 0.09 -0.95 0.00 0.00 178.83 177.86 1t3k n ASN 61 N -2.60 6.20 0.00 1.46 5.03 -0.06 -4.62 115.26 120.66 1t3k n ASN 61 Ca 0.05 -3.77 0.00 0.00 0.87 0.00 0.00 54.58 51.73 1t3k n ASN 61 Cb 0.48 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 1t3k n ASN 61 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1t3k n VAL 62 N -0.78 0.00 -1.34 2.41 0.31 -1.11 -4.95 118.33 112.87 1t3k n VAL 62 Ca 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.85 1t3k n VAL 62 Cb 0.79 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1t3k n VAL 62 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1t3k n LYS 63 N -2.91 0.00 0.00 5.55 0.00 -1.26 -4.48 118.16 115.06 1t3k n LYS 63 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 58.31 58.66 1t3k n LYS 63 Cb 0.43 -1.34 0.00 0.00 0.00 0.00 0.00 35.03 34.12 1t3k n LYS 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1t3k n ASP 64 N -0.99 0.00 -4.56 3.14 9.92 -1.26 -4.76 116.55 118.04 1t3k n ASP 64 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.87 1t3k n ASP 64 Cb 0.45 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.89 1t3k n ASP 64 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1t3k n LYS 65 N 0.00 1.26 -3.56 -1.24 4.01 -1.26 -4.77 118.16 112.60 1t3k n LYS 65 Ca 0.00 0.16 -0.08 0.00 -0.51 0.00 0.00 58.31 57.88 1t3k n LYS 65 Cb 0.00 -3.25 -0.09 0.00 -0.51 0.00 0.00 35.03 31.18 1t3k n LYS 65 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1t3k s ASP 66 N 10.74 -0.20 -0.09 4.39 -1.08 -1.26 -4.83 116.67 124.33 1t3k s ASP 66 Ca 1.01 0.81 0.03 0.00 -0.52 0.00 0.00 52.55 53.89 1t3k s ASP 66 Cb -0.31 1.35 0.01 0.00 -1.46 0.00 0.00 42.92 42.51 1t3k s ASP 66 CO 0.31 -0.25 -0.19 -0.89 0.52 0.00 0.00 175.17 174.67 1t3k s THR 67 N 2.62 1.72 -0.04 1.71 2.01 1.28 0.25 115.64 125.19 1t3k s THR 67 Ca 0.03 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1t3k s THR 67 Cb -0.13 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1t3k s THR 67 CO -0.14 0.49 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.97 1t3k s LEU 68 N 0.54 1.65 -0.15 4.42 2.96 -0.08 -1.82 118.68 126.21 1t3k s LEU 68 Ca -0.15 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1t3k s LEU 68 Cb -0.17 -0.56 0.02 0.00 0.50 0.00 0.00 46.19 45.98 1t3k s LEU 68 CO 0.06 0.03 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.26 1t3k s VAL 69 N 0.44 1.73 0.10 1.68 1.01 -1.04 -0.76 120.40 123.57 1t3k s VAL 69 Ca -0.07 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1t3k s VAL 69 Cb -0.11 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1t3k s VAL 69 CO 0.01 0.49 0.23 0.72 0.00 0.00 0.00 175.10 176.54 1t3k s PHE 70 N 1.27 3.48 0.01 5.22 -0.71 0.27 -0.11 117.98 127.41 1t3k s PHE 70 Ca 0.01 0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.09 1t3k s PHE 70 Cb -0.14 -1.71 -0.00 0.00 -1.21 0.00 0.00 43.02 39.97 1t3k s PHE 70 CO -0.09 0.56 0.01 0.72 -1.34 0.00 0.00 175.22 175.08 1t3k n HIS 71 N -0.03 -0.30 0.00 3.49 8.25 -0.55 -3.34 115.22 122.74 1t3k n HIS 71 Ca -0.06 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1t3k n HIS 71 Cb 0.52 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1t3k n HIS 71 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1t3k n SER 72 N -2.43 0.00 0.00 0.41 2.88 -1.26 -4.26 113.62 108.95 1t3k n SER 72 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1t3k n SER 72 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.00 0.95 -0.35 -1.46 0.00 -1.26 -4.72 120.51 113.67 1t3k n ALA 73 Ca 0.00 -0.15 0.34 0.00 0.00 0.00 0.00 53.44 53.63 1t3k n ALA 73 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 1t3k n ALA 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1t3k h LEU 74 N 0.00 0.09 -1.83 0.00 -0.00 -1.86 0.40 115.31 112.11 1t3k h LEU 74 Ca 0.00 0.02 0.49 0.00 -0.00 0.00 0.00 57.88 58.39 1t3k h LEU 74 Cb 0.97 0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 41.55 1t3k h LEU 74 CO 0.00 0.01 1.15 0.77 -0.00 0.00 0.00 178.44 180.37 1t3k h SER 75 N 0.07 0.07 0.00 -0.43 4.64 -1.89 -3.35 113.55 112.66 1t3k h SER 75 Ca 0.60 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1t3k h SER 75 Cb 2.24 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.37 1t3k h SER 75 CO -0.07 -0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 1t3k n GLN 76 N -4.20 0.00 0.00 4.77 10.64 0.13 -5.07 117.38 123.65 1t3k n GLN 76 Ca 0.39 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.56 1t3k n GLN 76 Cb 1.71 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 31.09 1t3k n GLN 76 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1t3k n VAL 77 N 0.00 0.00 0.26 -0.39 0.24 -0.64 -4.97 118.33 112.83 1t3k n VAL 77 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 1t3k n VAL 77 Cb 0.00 0.00 0.70 0.00 -1.47 0.00 0.00 33.84 33.07 1t3k n VAL 77 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1t3k h ARG 78 N 0.00 0.00 -0.20 7.34 -0.00 -1.87 -3.35 114.38 116.30 1t3k h ARG 78 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.50 1t3k h ARG 78 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 1t3k h ARG 78 CO 0.00 0.13 -0.12 0.41 0.00 0.00 0.00 179.97 180.39 1t3k n GLY 79 N -0.54 -0.87 0.37 0.04 0.00 -1.25 0.39 105.19 103.33 1t3k n GLY 79 Ca -0.01 0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.44 1t3k n GLY 79 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t3k h PRO 80 N 0.00 0.47 -0.06 1.61 0.11 -1.90 -0.84 132.00 131.39 1t3k h PRO 80 Ca 0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1t3k h PRO 80 Cb 0.08 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1t3k h PRO 80 CO -0.19 0.31 0.01 1.15 -0.21 0.00 0.00 178.00 179.06 1t3k h THR 81 N 0.48 1.22 -0.23 -1.15 2.02 0.69 0.33 112.91 116.28 1t3k h THR 81 Ca 0.34 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1t3k h THR 81 Cb 0.68 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1t3k h THR 81 CO -0.11 0.19 0.11 0.00 0.37 0.00 0.00 175.52 176.07 1t3k h ALA 83 N 1.13 1.71 -0.46 0.00 0.00 -1.12 0.20 119.26 120.71 1t3k h ALA 83 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1t3k h ALA 83 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1t3k h ALA 83 CO -0.08 0.22 0.28 -0.09 0.00 0.00 0.00 179.25 179.59 1t3k h ARG 84 N 0.23 0.62 -0.64 0.00 2.43 0.17 0.45 114.38 117.62 1t3k h ARG 84 Ca 0.06 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1t3k h ARG 84 Cb 0.16 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1t3k h ARG 84 CO 0.00 0.43 0.28 -0.09 -1.51 0.00 0.00 179.97 179.08 1t3k h ARG 85 N 0.63 0.94 -0.93 0.20 2.43 0.91 0.17 114.38 118.74 1t3k h ARG 85 Ca 0.17 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1t3k h ARG 85 Cb -0.03 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.30 1t3k h ARG 85 CO -0.03 0.77 0.60 -0.07 -1.51 0.00 0.00 179.97 179.74 1t3k h LEU 86 N 0.90 0.96 -0.64 3.80 3.38 -0.47 -0.78 115.31 122.46 1t3k h LEU 86 Ca 0.22 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 1t3k h LEU 86 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1t3k h LEU 86 CO -0.02 0.64 -0.09 0.58 0.09 0.00 0.00 178.44 179.63 1t3k h VAL 87 N 1.10 1.27 0.18 1.22 2.07 0.02 -1.25 116.25 120.85 1t3k h VAL 87 Ca 0.39 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1t3k h VAL 87 Cb 0.12 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1t3k h VAL 87 CO -0.14 0.43 -0.09 -0.55 0.02 0.00 0.00 177.57 177.25 1t3k h ASN 88 N 0.88 -0.20 -0.24 0.57 -1.07 0.72 0.24 115.58 116.47 1t3k h ASN 88 Ca 0.14 -0.13 -0.04 0.00 0.07 0.00 0.00 56.30 56.34 1t3k h ASN 88 Cb 0.64 0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 36.93 1t3k h ASN 88 CO 0.04 0.01 0.00 0.22 0.07 0.00 0.00 177.43 177.78 1t3k h TYR 89 N -0.42 0.45 -0.73 4.14 5.03 -1.43 -1.14 116.97 122.88 1t3k h TYR 89 Ca -0.02 -0.08 0.14 0.00 2.58 0.00 0.00 58.73 61.34 1t3k h TYR 89 Cb 0.32 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.44 1t3k h TYR 89 CO -0.01 0.58 0.49 1.25 -1.32 0.00 0.00 178.16 179.15 1t3k h LEU 90 N 0.19 0.41 -0.94 2.82 5.85 -1.19 0.59 115.31 123.03 1t3k h LEU 90 Ca 0.07 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1t3k h LEU 90 Cb 0.40 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1t3k h LEU 90 CO 0.01 0.22 -0.45 -0.78 -0.34 0.00 0.00 178.44 177.10 1t3k h ASP 91 N 0.44 0.17 0.31 1.25 1.82 0.15 0.64 116.42 121.20 1t3k h ASP 91 Ca 0.35 -0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.90 1t3k h ASP 91 Cb 0.76 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.73 1t3k h ASP 91 CO -0.11 0.61 -0.15 -0.08 -1.61 0.00 0.00 179.24 177.90 1t3k h GLU 92 N 0.13 -0.40 0.00 0.28 4.22 0.13 -3.41 114.58 115.53 1t3k h GLU 92 Ca 0.01 0.03 -0.35 0.00 0.08 0.00 0.00 59.36 59.13 1t3k h GLU 92 Cb 0.86 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 1t3k h GLU 92 CO 0.07 -0.16 -2.28 1.17 -2.18 0.00 0.00 179.01 175.63 1t3k n LYS 93 N -5.05 0.55 -2.07 1.92 3.00 -0.28 -5.02 118.16 111.21 1t3k n LYS 93 Ca -0.07 0.14 -0.03 0.00 -0.00 0.00 0.00 58.31 58.35 1t3k n LYS 93 Cb 0.22 -1.43 -0.00 0.00 0.00 0.00 0.00 35.03 33.82 1t3k n LYS 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1t3k n LYS 94 N -3.30 -0.27 -0.86 1.64 4.76 0.22 -4.94 118.16 115.41 1t3k n LYS 94 Ca -0.41 0.16 -0.05 0.00 -2.87 0.00 0.00 58.31 55.13 1t3k n LYS 94 Cb 0.91 -3.82 0.19 0.00 -1.84 0.00 0.00 35.03 30.47 1t3k n LYS 94 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1t3k n GLU 95 N -1.31 1.88 -1.47 1.97 2.13 -1.26 -5.06 120.64 117.52 1t3k n GLU 95 Ca -0.04 -3.23 0.18 0.00 0.66 0.00 0.00 57.16 54.74 1t3k n GLU 95 Cb 0.53 -1.83 -0.08 0.00 0.27 0.00 0.00 31.44 30.32 1t3k n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1t3k n ASP 96 N -1.12 -8.37 0.17 4.31 9.92 -1.26 -4.08 116.55 116.12 1t3k n ASP 96 Ca 0.34 1.26 0.12 0.00 -0.53 0.00 0.00 54.79 55.99 1t3k n ASP 96 Cb 1.03 -4.90 0.61 0.00 -0.64 0.00 0.00 41.12 37.22 1t3k n ASP 96 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1t3k h THR 97 N -1.44 0.00 0.00 -3.53 2.02 -1.94 -3.46 112.91 104.57 1t3k h THR 97 Ca -0.15 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1t3k h THR 97 Cb 1.40 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1t3k h THR 97 CO 0.06 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.56 1t3k n GLY 98 N -0.82 3.30 3.77 2.16 0.00 -1.26 -4.67 105.19 107.67 1t3k n GLY 98 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.58 2.70 0.28 -0.61 -0.00 -1.26 -4.81 121.20 114.92 1t3k s ILE 99 Ca 0.00 0.69 0.09 0.00 -0.00 0.00 0.00 60.65 61.42 1t3k s ILE 99 Cb 0.00 -3.43 -0.01 0.00 -0.00 0.00 0.00 42.46 39.03 1t3k s ILE 99 CO 0.00 0.15 1.64 0.50 -0.00 0.00 0.00 174.94 177.23 1t3k h LYS 100 N 3.21 0.08 -2.47 0.37 3.64 0.30 -3.44 116.57 118.27 1t3k h LYS 100 Ca -0.49 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.76 1t3k h LYS 100 Cb 1.23 0.01 -0.26 0.00 -0.41 0.00 0.00 32.23 32.80 1t3k h LYS 100 CO 0.65 0.62 -0.29 -0.80 -2.27 0.00 0.00 179.45 177.35 1t3k s ASN 101 N -6.88 -0.47 -0.14 4.20 -0.87 -1.23 -5.03 114.94 104.53 1t3k s ASN 101 Ca -0.03 1.05 -0.05 0.00 -1.57 0.00 0.00 52.86 52.26 1t3k s ASN 101 Cb 0.13 1.25 -0.04 0.00 -0.02 0.00 0.00 41.25 42.57 1t3k s ASN 101 CO 0.77 -0.22 0.05 0.27 -2.57 0.00 0.00 177.10 175.40 1t3k s ILE 102 N 2.17 4.73 0.19 0.60 -4.36 -1.25 -0.90 121.20 122.38 1t3k s ILE 102 Ca -0.05 -0.07 0.01 0.00 -0.26 0.00 0.00 60.65 60.27 1t3k s ILE 102 Cb -0.10 -3.07 -0.05 0.00 1.25 0.00 0.00 42.46 40.50 1t3k s ILE 102 CO -0.14 0.54 0.05 -0.04 0.24 0.00 0.00 174.94 175.59 1t3k s MET 103 N -0.33 1.18 0.11 0.37 -1.94 0.06 0.19 119.30 118.94 1t3k s MET 103 Ca 0.08 -1.60 0.04 0.00 -1.71 0.00 0.00 55.69 52.51 1t3k s MET 103 Cb -0.12 -0.14 -0.04 0.00 2.01 0.00 0.00 34.83 36.54 1t3k s MET 103 CO 0.02 -0.22 -0.10 -1.50 -0.01 0.00 0.00 175.02 173.21 1t3k s ILE 104 N -3.79 0.97 0.27 2.53 -1.16 -0.42 -0.56 121.20 119.04 1t3k s ILE 104 Ca 0.29 -1.73 -0.29 0.00 -0.51 0.00 0.00 60.65 58.41 1t3k s ILE 104 Cb 0.07 -1.46 -0.09 0.00 0.61 0.00 0.00 42.46 41.58 1t3k s ILE 104 CO 0.07 -0.60 1.17 -1.48 -2.81 0.00 0.00 174.94 171.29 1t3k s LEU 105 N -2.59 4.50 -0.00 8.50 0.05 -1.21 -1.77 118.68 126.16 1t3k s LEU 105 Ca 0.08 2.35 -0.08 0.00 0.05 0.00 0.00 54.13 56.53 1t3k s LEU 105 Cb -0.02 -3.63 -0.30 0.00 -2.05 0.00 0.00 46.19 40.20 1t3k s LEU 105 CO -0.00 -0.28 0.84 1.05 -0.55 0.00 0.00 176.35 177.41 1t3k h GLU 106 N 4.06 0.34 0.00 1.48 -0.00 -1.93 -3.39 114.58 115.15 1t3k h GLU 106 Ca -0.47 -0.59 -0.05 0.00 -0.00 0.00 0.00 59.36 58.25 1t3k h GLU 106 Cb 1.21 0.22 -0.01 0.00 -0.00 0.00 0.00 28.75 30.17 1t3k h GLU 106 CO 0.68 1.24 -1.21 -2.13 -0.00 0.00 0.00 179.01 177.59 1t3k n ARG 107 N -3.54 0.12 0.00 1.06 0.63 -1.26 -4.85 116.66 108.81 1t3k n ARG 107 Ca -0.18 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 1t3k n ARG 107 Cb 1.06 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 32.90 1t3k n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t3k n GLY 108 N 3.32 1.84 0.00 5.14 0.00 -1.26 -3.53 105.19 110.70 1t3k n GLY 108 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1t3k n GLY 108 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t3k n PHE 109 N 0.00 0.00 0.06 1.61 -0.00 -1.26 -4.87 117.46 112.99 1t3k n PHE 109 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 1t3k n PHE 109 Cb 0.00 0.06 -0.09 0.00 -0.00 0.00 0.00 39.48 39.45 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1t3k h ASN 110 N 0.00 -0.12 -0.13 -2.13 4.21 -1.87 -0.50 115.58 115.05 1t3k h ASN 110 Ca 0.00 -0.28 -0.10 0.00 1.21 0.00 0.00 56.30 57.13 1t3k h ASN 110 Cb 0.70 0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1t3k h ASN 110 CO 0.00 0.22 -0.23 1.23 -1.29 0.00 0.00 177.43 177.36 1t3k h GLY 111 N -0.47 0.61 0.67 2.83 0.00 -1.93 0.48 103.07 105.26 1t3k h GLY 111 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1t3k h GLY 111 CO 0.02 0.46 -0.13 -0.25 0.00 0.00 0.00 176.54 176.64 1t3k h TRP 112 N 0.50 -0.33 0.04 5.60 7.01 -1.88 0.35 115.95 127.24 1t3k h TRP 112 Ca 0.07 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 1t3k h TRP 112 Cb 0.67 0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.84 1t3k h TRP 112 CO 0.03 -0.00 -0.02 1.49 -2.79 0.00 0.00 178.44 177.14 1t3k h GLU 113 N -0.70 -0.05 0.02 2.65 4.22 -1.11 4.48 114.58 124.09 1t3k h GLU 113 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1t3k h GLU 113 Cb 0.48 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1t3k h GLU 113 CO 0.06 0.35 -0.01 0.00 -2.18 0.00 0.00 179.01 177.23 1t3k h ALA 114 N 0.48 -0.03 0.00 2.92 0.00 -0.99 -3.03 119.26 118.61 1t3k h ALA 114 Ca -0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1t3k h ALA 114 Cb 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1t3k h ALA 114 CO 0.01 -0.33 -0.59 0.66 0.00 0.00 0.00 179.25 179.00 1t3k h SER 115 N -0.40 0.00 0.00 0.00 4.64 -0.43 -3.42 113.55 113.94 1t3k h SER 115 Ca -0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1t3k h SER 115 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1t3k h SER 115 CO 0.00 1.00 -1.82 0.61 -0.87 0.00 0.00 176.83 175.76 1t3k n GLY 116 N 1.58 -0.84 2.64 -0.77 0.00 -0.98 -4.99 105.19 101.84 1t3k n GLY 116 Ca -0.15 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.12 -1.62 -1.35 1.61 4.81 1.47 -4.86 118.16 116.10 1t3k n LYS 117 Ca -0.03 0.92 -0.31 0.00 -0.87 0.00 0.00 58.31 58.03 1t3k n LYS 117 Cb 0.47 -5.29 -0.09 0.00 0.02 0.00 0.00 35.03 30.14 1t3k n LYS 117 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1t3k n PRO 118 N -1.21 0.70 -3.45 1.64 -0.04 -1.15 -4.84 135.00 126.65 1t3k n PRO 118 Ca -0.13 -1.75 -0.33 0.00 -0.04 0.00 0.00 63.50 61.26 1t3k n PRO 118 Cb 0.58 -3.35 -0.05 0.00 -0.04 0.00 0.00 33.50 30.64 1t3k n PRO 118 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1t3k s VAL 119 N 11.05 4.96 0.00 0.52 -7.23 -1.26 -4.92 120.40 123.51 1t3k s VAL 119 Ca 0.71 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 61.36 1t3k s VAL 119 Cb 0.05 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.35 1t3k s VAL 119 CO 0.20 0.01 0.00 0.00 -0.31 0.00 0.00 175.10 175.01 1t3k n ARG 121 N 0.00 0.19 -2.96 0.00 1.85 -1.26 -4.80 116.66 109.67 1t3k n ARG 121 Ca 0.00 -0.56 -0.18 0.00 -1.00 0.00 0.00 57.85 56.11 1t3k n ARG 121 Cb 0.00 -2.35 0.03 0.00 -1.05 0.00 0.00 32.46 29.09 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 -2.28 0.00 -2.00 0.00 0.00 -1.26 -4.99 120.51 109.98 1t3k n ALA 123 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1t3k n ALA 123 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1t3k n ALA 123 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1t3k n GLU 124 N -0.48 0.00 0.08 0.00 0.28 -1.26 -5.02 120.64 114.24 1t3k n GLU 124 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1t3k n GLU 124 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1t3k n GLU 124 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1t3k h VAL 125 N 0.00 1.21 -0.09 3.84 -1.51 -2.00 -3.29 116.25 114.42 1t3k h VAL 125 Ca 0.00 -2.79 0.00 0.00 -1.23 0.00 0.00 66.70 62.68 1t3k h VAL 125 Cb 0.00 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1t3k h VAL 125 CO 0.00 0.69 0.00 -0.81 -1.23 0.00 0.00 177.57 176.22 1t3k n PRO 126 N -3.23 1.33 -1.49 5.19 -0.04 -1.26 -4.76 135.00 130.74 1t3k n PRO 126 Ca -0.02 -0.37 -0.23 0.00 -0.04 0.00 0.00 63.50 62.84 1t3k n PRO 126 Cb 0.87 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.94 1t3k n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t3k n LYS 128 N 8.09 0.00 -0.05 0.00 0.00 -1.26 -4.35 118.16 120.59 1t3k n LYS 128 Ca 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.59 1t3k n LYS 128 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.36 1t3k n LYS 128 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1t3k h GLY 129 N 0.00 0.06 -7.03 3.14 0.00 -1.80 -3.45 103.07 94.00 1t3k h GLY 129 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 47.33 46.84 1t3k h GLY 129 CO 0.00 0.14 -0.67 0.99 0.00 0.00 0.00 176.54 177.00 1t3k s ASP 130 N -6.38 1.03 0.00 0.19 1.11 -1.22 -4.71 116.67 106.69 1t3k s ASP 130 Ca -0.18 0.15 0.00 0.00 0.18 0.00 0.00 52.55 52.70 1t3k s ASP 130 Cb -0.02 0.13 0.00 0.00 1.07 0.00 0.00 42.92 44.10 1t3k s ASP 130 CO 0.71 -0.26 0.00 0.00 1.18 0.00 0.00 175.17 176.80