#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 -3.63 -2.68 -5.12 0.00 -1.26 -4.75 120.51 103.07 1t3k n ALA 2 Ca 0.00 0.73 -0.40 0.00 0.00 0.00 0.00 53.44 53.77 1t3k n ALA 2 Cb 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.92 1t3k n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1t3k s MET 3 N -3.46 3.17 0.00 0.00 1.00 -1.26 -5.06 119.30 113.69 1t3k s MET 3 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 55.69 54.83 1t3k s MET 3 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 34.83 31.07 1t3k s MET 3 CO 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 175.02 174.45 1t3k n ALA 4 N 5.06 0.00 -0.87 3.03 0.00 -1.26 -5.10 120.51 121.36 1t3k n ALA 4 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1t3k n ALA 4 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 -1.65 0.08 0.00 1.74 -1.26 -4.84 116.66 110.73 1t3k n ARG 5 Ca 0.00 1.44 -0.03 0.00 -0.77 0.00 0.00 57.85 58.49 1t3k n ARG 5 Cb 0.00 -1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 1t3k n ARG 5 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1t3k h SER 6 N 1.20 -0.18 0.00 0.55 0.02 -1.99 -3.32 113.55 109.84 1t3k h SER 6 Ca 0.00 0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1t3k h SER 6 Cb 0.00 0.05 0.10 0.00 0.14 0.00 0.00 62.40 62.68 1t3k h SER 6 CO 0.00 -0.11 1.78 2.30 -1.14 0.00 0.00 176.83 179.66 1t3k n ILE 7 N -2.66 0.83 -4.06 3.27 -0.00 -1.23 -4.60 119.36 110.92 1t3k n ILE 7 Ca -0.03 -0.70 -0.11 0.00 -0.00 0.00 0.00 62.75 61.92 1t3k n ILE 7 Cb 0.08 -2.11 -0.06 0.00 -0.00 0.00 0.00 39.64 37.56 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1t3k s SER 8 N 5.93 0.12 0.30 7.28 0.01 -0.71 -4.92 113.70 121.71 1t3k s SER 8 Ca 0.59 -1.12 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 1t3k s SER 8 Cb 0.14 0.55 -0.05 0.00 0.21 0.00 0.00 66.02 66.87 1t3k s SER 8 CO 0.22 -1.10 0.55 -0.72 0.41 0.00 0.00 173.24 172.60 1t3k s TYR 9 N -3.89 3.49 0.27 2.43 -0.85 -1.26 -2.66 117.35 114.87 1t3k s TYR 9 Ca 0.27 0.57 0.08 0.00 -0.52 0.00 0.00 57.07 57.48 1t3k s TYR 9 Cb 0.01 -2.05 -0.05 0.00 0.38 0.00 0.00 41.96 40.24 1t3k s TYR 9 CO 0.11 0.16 -0.11 0.42 -1.52 0.00 0.00 175.55 174.61 1t3k s ILE 10 N -2.14 1.90 0.47 -3.49 -1.09 -0.93 -4.81 121.20 111.12 1t3k s ILE 10 Ca 0.43 -2.21 0.06 0.00 -2.23 0.00 0.00 60.65 56.70 1t3k s ILE 10 Cb -0.10 -2.33 0.02 0.00 -1.58 0.00 0.00 42.46 38.46 1t3k s ILE 10 CO 0.32 -0.39 0.65 0.28 -1.23 0.00 0.00 174.94 174.57 1t3k s THR 11 N -2.86 2.85 0.29 2.92 -1.32 -1.26 -3.28 115.64 112.97 1t3k s THR 11 Ca 0.28 -0.89 -0.03 0.00 -1.21 0.00 0.00 61.69 59.83 1t3k s THR 11 Cb 0.01 -2.95 0.44 0.00 -1.51 0.00 0.00 72.50 68.48 1t3k s THR 11 CO 0.12 0.00 1.55 -0.24 -2.21 0.00 0.00 174.62 173.83 1t3k n SER 12 N -2.03 -0.25 -0.03 8.08 2.88 -1.26 0.29 113.62 121.31 1t3k n SER 12 Ca 0.08 1.69 0.02 0.00 -1.33 0.00 0.00 58.87 59.34 1t3k n SER 12 Cb 0.59 -0.56 0.36 0.00 -0.75 0.00 0.00 64.21 63.86 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 1.14 0.00 2.46 1.35 -2.02 0.17 112.91 116.01 1t3k h THR 13 Ca 0.53 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1t3k h THR 13 Cb 0.96 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1t3k h THR 13 CO -0.98 0.16 0.20 0.06 -0.25 0.00 0.00 175.52 174.71 1t3k h GLN 14 N 0.61 0.00 0.00 4.72 -0.00 0.41 0.94 115.11 121.78 1t3k h GLN 14 Ca 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.69 1t3k h GLN 14 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.50 1t3k h GLN 14 CO -0.02 0.00 -0.56 1.25 -0.00 0.00 0.00 178.83 179.49 1t3k h LEU 15 N 0.00 0.00 0.35 0.06 5.85 -0.38 -2.80 115.31 118.39 1t3k h LEU 15 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1t3k h LEU 15 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1t3k h LEU 15 CO 0.00 0.56 -0.17 0.25 -0.34 0.00 0.00 178.44 178.74 1t3k h LEU 16 N 0.00 -0.41 -2.77 2.25 6.46 0.84 -3.06 115.31 118.61 1t3k h LEU 16 Ca -0.01 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1t3k h LEU 16 Cb 1.18 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1t3k h LEU 16 CO 0.07 -0.29 0.00 -0.81 -0.62 0.00 0.00 178.44 176.79 1t3k n PRO 17 N -5.30 3.57 -0.35 5.25 -0.04 -1.24 -4.56 135.00 132.33 1t3k n PRO 17 Ca -0.10 -2.41 0.26 0.00 -0.04 0.00 0.00 63.50 61.21 1t3k n PRO 17 Cb 0.21 -1.91 0.55 0.00 -0.04 0.00 0.00 33.50 32.31 1t3k n PRO 17 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1t3k h LEU 18 N 3.30 0.38 0.00 1.53 8.10 -1.39 -3.45 115.31 123.78 1t3k h LEU 18 Ca 0.00 0.09 0.00 0.00 0.11 0.00 0.00 57.88 58.08 1t3k h LEU 18 Cb 1.40 0.04 0.00 0.00 -0.44 0.00 0.00 40.66 41.66 1t3k h LEU 18 CO 0.27 0.02 0.00 1.41 -4.11 0.00 0.00 178.44 176.03 1t3k n HIS 19 N -4.63 0.00 0.00 0.17 8.25 -1.26 -4.61 115.22 113.14 1t3k n HIS 19 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1t3k n HIS 19 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 1t3k n HIS 19 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1t3k n ARG 20 N 0.00 0.00 -2.41 -0.41 1.85 -1.26 -4.73 116.66 109.69 1t3k n ARG 20 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1t3k n ARG 20 Cb 0.00 -1.00 0.04 0.00 -1.05 0.00 0.00 32.46 30.45 1t3k n ARG 20 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1t3k n ARG 21 N -2.00 1.41 -2.33 2.89 3.00 -1.26 -4.97 116.66 113.40 1t3k n ARG 21 Ca 0.00 -3.17 -0.41 0.00 -0.00 0.00 0.00 57.85 54.27 1t3k n ARG 21 Cb 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 32.46 31.21 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 -0.35 4.71 -4.01 -0.14 -0.04 -1.26 -4.82 135.00 129.09 1t3k n PRO 22 Ca 0.09 -3.94 -0.41 0.00 -0.04 0.00 0.00 63.50 59.20 1t3k n PRO 22 Cb 0.89 -2.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.76 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 1.44 -4.28 -4.23 3.54 6.94 -1.26 -4.63 115.26 112.79 1t3k n ASN 23 Ca 0.51 -1.22 -0.21 0.00 -0.02 0.00 0.00 54.58 53.64 1t3k n ASN 23 Cb 0.27 -1.58 -0.12 0.00 -2.36 0.00 0.00 39.78 36.00 1t3k n ASN 23 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1t3k s ILE 24 N -3.37 1.40 -0.04 1.53 -0.00 -1.26 0.31 121.20 119.76 1t3k s ILE 24 Ca 0.35 -1.42 -0.22 0.00 -0.00 0.00 0.00 60.65 59.36 1t3k s ILE 24 Cb -0.20 -1.30 0.05 0.00 -0.00 0.00 0.00 42.46 41.01 1t3k s ILE 24 CO 0.95 -0.15 0.49 0.00 -0.00 0.00 0.00 174.94 176.23 1t3k s ALA 25 N -1.22 -1.26 -0.19 2.27 0.00 0.77 -4.85 121.76 117.27 1t3k s ALA 25 Ca 0.02 0.84 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 1t3k s ALA 25 Cb -0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1t3k s ALA 25 CO 0.03 -0.31 0.06 0.42 0.00 0.00 0.00 175.76 175.96 1t3k s ILE 26 N -1.19 4.66 -0.08 0.00 1.09 -1.26 -0.93 121.20 123.49 1t3k s ILE 26 Ca -0.12 -0.08 -0.13 0.00 -1.10 0.00 0.00 60.65 59.23 1t3k s ILE 26 Cb -0.03 -3.11 -0.05 0.00 -1.06 0.00 0.00 42.46 38.21 1t3k s ILE 26 CO 0.07 0.43 0.31 -0.51 -0.10 0.00 0.00 174.94 175.14 1t3k s ILE 27 N 0.62 5.23 -0.08 2.92 1.10 0.11 -1.34 121.20 129.77 1t3k s ILE 27 Ca 0.03 0.61 -0.02 0.00 -0.51 0.00 0.00 60.65 60.76 1t3k s ILE 27 Cb -0.13 -3.62 0.03 0.00 0.15 0.00 0.00 42.46 38.89 1t3k s ILE 27 CO 0.02 0.52 0.03 -0.62 -2.11 0.00 0.00 174.94 172.78 1t3k s ASP 28 N -0.56 1.56 -0.24 4.50 2.15 0.17 -1.70 116.67 122.57 1t3k s ASP 28 Ca 0.20 -0.11 -0.10 0.00 0.43 0.00 0.00 52.55 52.97 1t3k s ASP 28 Cb -0.14 -0.32 0.10 0.00 -0.30 0.00 0.00 42.92 42.25 1t3k s ASP 28 CO 0.08 -0.23 0.53 0.54 -0.17 0.00 0.00 175.17 175.92 1t3k s VAL 29 N 2.05 -0.57 0.00 1.11 0.11 -1.26 0.05 120.40 121.90 1t3k s VAL 29 Ca 0.04 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1t3k s VAL 29 Cb -0.13 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1t3k s VAL 29 CO -0.05 0.03 0.09 -2.11 -3.33 0.00 0.00 175.10 169.73 1t3k n ARG 30 N 5.08 0.00 -0.87 1.54 -4.01 -0.89 -4.81 116.66 112.69 1t3k n ARG 30 Ca -0.14 -0.01 0.11 0.00 -1.04 0.00 0.00 57.85 56.78 1t3k n ARG 30 Cb 0.52 0.03 -0.03 0.00 -3.04 0.00 0.00 32.46 29.93 1t3k n ARG 30 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 1t3k n ASP 31 N 0.00 -5.03 0.00 2.89 9.92 -1.22 -4.60 116.55 118.51 1t3k n ASP 31 Ca -0.00 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 1t3k n ASP 31 Cb 0.10 -2.84 0.00 0.00 -0.64 0.00 0.00 41.12 37.73 1t3k n ASP 31 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1t3k n GLU 32 N -2.77 0.00 0.26 -1.24 -0.58 -1.26 -4.25 120.64 110.80 1t3k n GLU 32 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 1t3k n GLU 32 Cb 0.60 0.00 0.69 0.00 -0.57 0.00 0.00 31.44 32.16 1t3k n GLU 32 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1t3k h GLU 33 N 0.00 0.00 0.00 3.49 4.39 -1.95 0.22 114.58 120.74 1t3k h GLU 33 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t3k h GLU 33 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t3k h GLU 33 CO 0.00 0.00 0.00 -0.09 -1.16 0.00 0.00 179.01 177.76 1t3k h ARG 34 N 0.00 0.00 0.08 2.33 2.43 -1.91 -2.35 114.38 114.96 1t3k h ARG 34 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1t3k h ARG 34 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1t3k h ARG 34 CO 0.00 0.00 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.51 1t3k h ASN 35 N 0.00 -0.09 -0.57 -3.80 2.35 -0.92 -3.31 115.58 109.25 1t3k h ASN 35 Ca 0.00 -0.52 0.01 0.00 -0.55 0.00 0.00 56.30 55.24 1t3k h ASN 35 Cb 0.25 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1t3k h ASN 35 CO 0.00 0.56 0.37 1.88 -1.65 0.00 0.00 177.43 178.60 1t3k h TYR 36 N -0.84 0.70 -3.33 1.19 0.05 -1.67 -3.46 116.97 109.62 1t3k h TYR 36 Ca -0.01 0.02 -0.32 0.00 0.05 0.00 0.00 58.73 58.46 1t3k h TYR 36 Cb 0.60 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 1t3k h TYR 36 CO 0.13 0.44 -0.41 -3.47 -1.05 0.00 0.00 178.16 173.80 1t3k n ASP 37 N -4.70 -4.76 -4.22 3.88 -0.08 -0.90 -4.93 116.55 100.84 1t3k n ASP 37 Ca 0.04 0.12 -0.34 0.00 -1.51 0.00 0.00 54.79 53.10 1t3k n ASP 37 Cb 0.03 -4.02 0.14 0.00 2.34 0.00 0.00 41.12 39.61 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1t3k n GLY 38 N -0.86 -2.62 0.48 0.27 0.00 -1.26 -4.90 105.19 96.29 1t3k n GLY 38 Ca -0.19 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.19 0.00 1.30 1.61 8.25 -1.26 -4.86 115.22 116.06 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 0.65 0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.96 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 -3.88 1.59 0.13 -1.26 -1.69 119.36 114.25 1t3k n ILE 40 Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 1t3k n ILE 40 Cb 0.53 -0.32 -0.12 0.00 -0.84 0.00 0.00 39.64 38.89 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 -1.35 -0.20 0.00 1.51 0.00 0.63 -3.76 121.76 118.59 1t3k s ALA 41 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1t3k s ALA 41 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1t3k s ALA 41 CO 0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1t3k n GLY 42 N 2.19 1.03 5.17 0.00 0.00 -0.95 -2.83 105.19 109.80 1t3k n GLY 42 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -5.89 -3.96 1.61 7.64 -1.26 -4.67 113.62 107.09 1t3k n SER 43 Ca 0.00 0.43 -0.28 0.00 1.01 0.00 0.00 58.87 60.03 1t3k n SER 43 Cb 0.00 -1.23 -0.17 0.00 -1.01 0.00 0.00 64.21 61.80 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 1.43 -0.12 -3.43 2.34 -0.45 -4.97 118.68 113.48 1t3k s LEU 44 Ca 0.00 -0.39 -0.04 0.00 0.06 0.00 0.00 54.13 53.76 1t3k s LEU 44 Cb 0.00 -1.00 -0.04 0.00 -0.56 0.00 0.00 46.19 44.59 1t3k s LEU 44 CO 0.00 -0.09 0.05 -1.38 -1.06 0.00 0.00 176.35 173.87 1t3k s HIS 45 N 1.58 3.28 0.00 3.48 -3.43 -1.24 0.46 115.29 119.42 1t3k s HIS 45 Ca 0.05 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 1t3k s HIS 45 Cb -0.13 -1.89 0.00 0.00 -1.43 0.00 0.00 32.58 29.13 1t3k s HIS 45 CO -0.09 0.45 0.00 2.48 -2.00 0.00 0.00 174.74 175.58 1t3k n TYR 46 N 2.44 -0.37 -3.35 0.38 4.11 0.11 -4.97 117.16 115.51 1t3k n TYR 46 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1t3k n TYR 46 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 1t3k n TYR 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1t3k n ALA 47 N -3.00 0.00 0.10 -3.48 0.00 -1.26 -2.10 120.51 110.76 1t3k n ALA 47 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1t3k n ALA 47 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1t3k n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1t3k n SER 48 N -0.54 3.20 0.02 0.00 3.41 -1.26 -3.42 113.62 115.03 1t3k n SER 48 Ca 0.00 -2.52 -0.04 0.00 -0.26 0.00 0.00 58.87 56.06 1t3k n SER 48 Cb 0.00 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.24 1t3k n SER 48 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1t3k h GLY 49 N 3.93 0.00 -0.17 5.00 0.00 -2.04 -3.38 103.07 106.42 1t3k h GLY 49 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1t3k h GLY 49 CO 0.31 0.00 -0.08 -1.26 0.00 0.00 0.00 176.54 175.51 1t3k n SER 50 N -2.98 0.92 0.00 0.19 2.88 -1.25 -4.76 113.62 108.62 1t3k n SER 50 Ca -0.11 -1.75 0.04 0.00 -1.33 0.00 0.00 58.87 55.72 1t3k n SER 50 Cb 0.92 -0.09 0.17 0.00 -0.75 0.00 0.00 64.21 64.46 1t3k n SER 50 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1t3k n PHE 51 N -0.34 0.00 0.20 0.66 -1.74 -1.22 -0.49 117.46 114.53 1t3k n PHE 51 Ca 0.02 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.94 1t3k n PHE 51 Cb 0.48 -0.42 -0.04 0.00 1.52 0.00 0.00 39.48 41.02 1t3k n PHE 51 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1t3k n ASP 52 N -1.42 1.17 -0.22 5.98 8.00 -1.26 -4.42 116.55 124.37 1t3k n ASP 52 Ca 0.02 -0.47 0.05 0.00 0.71 0.00 0.00 54.79 55.11 1t3k n ASP 52 Cb 0.08 1.07 0.10 0.00 -0.02 0.00 0.00 41.12 42.35 1t3k n ASP 52 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1t3k n ASP 53 N -1.29 2.47 -0.00 -2.24 8.00 -0.52 -4.66 116.55 118.31 1t3k n ASP 53 Ca 0.01 -2.46 -0.00 0.00 0.71 0.00 0.00 54.79 53.05 1t3k n ASP 53 Cb 0.11 -0.23 -0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1t3k n LYS 54 N -0.64 1.57 -0.19 -1.24 4.76 0.36 -4.24 118.16 118.54 1t3k n LYS 54 Ca 0.09 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.48 1t3k n LYS 54 Cb 0.47 -1.01 0.01 0.00 -1.84 0.00 0.00 35.03 32.66 1t3k n LYS 54 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1t3k h ILE 55 N 0.00 0.20 -0.00 -0.18 1.08 -1.77 0.23 117.51 117.07 1t3k h ILE 55 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1t3k h ILE 55 Cb 1.01 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1t3k h ILE 55 CO -0.00 0.00 -0.25 -0.24 -0.69 0.00 0.00 178.15 176.97 1t3k n SER 56 N -5.43 0.41 -0.08 1.72 2.88 -1.26 -2.49 113.62 109.37 1t3k n SER 56 Ca 0.04 -0.19 -0.02 0.00 -1.33 0.00 0.00 58.87 57.37 1t3k n SER 56 Cb 0.35 -0.04 0.23 0.00 -0.75 0.00 0.00 64.21 64.00 1t3k n SER 56 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1t3k h HIS 57 N 0.25 0.73 0.00 0.66 6.17 -0.77 0.57 115.15 122.77 1t3k h HIS 57 Ca 0.00 -0.07 -0.19 0.00 0.71 0.00 0.00 60.37 60.82 1t3k h HIS 57 Cb 0.47 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.15 1t3k h HIS 57 CO 0.00 0.65 -0.88 1.25 0.71 0.00 0.00 177.93 179.65 1t3k h LEU 58 N 0.68 0.00 -1.36 0.26 5.85 -1.16 -2.69 115.31 116.90 1t3k h LEU 58 Ca 0.15 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1t3k h LEU 58 Cb 0.31 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1t3k h LEU 58 CO 0.00 0.88 0.46 0.58 -0.34 0.00 0.00 178.44 180.03 1t3k h VAL 59 N 0.00 1.09 -0.00 1.05 2.07 -0.29 0.77 116.25 120.95 1t3k h VAL 59 Ca -0.01 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 1t3k h VAL 59 Cb 1.68 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1t3k h VAL 59 CO 0.12 0.15 -0.70 1.56 0.02 0.00 0.00 177.57 178.72 1t3k h GLN 60 N 0.83 0.02 -0.53 1.57 7.50 0.14 -3.20 115.11 121.43 1t3k h GLN 60 Ca 0.28 -0.02 -0.35 0.00 0.50 0.00 0.00 58.65 59.06 1t3k h GLN 60 Cb 0.08 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 27.39 1t3k h GLN 60 CO -0.08 0.71 -0.25 0.09 -1.50 0.00 0.00 178.83 177.80 1t3k n ASN 61 N -3.72 3.87 -0.20 1.46 5.03 0.06 -4.73 115.26 117.02 1t3k n ASN 61 Ca -0.01 -3.80 0.02 0.00 0.87 0.00 0.00 54.58 51.67 1t3k n ASN 61 Cb 0.68 -0.57 0.28 0.00 -1.02 0.00 0.00 39.78 39.15 1t3k n ASN 61 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1t3k h VAL 62 N 1.39 1.14 -2.44 2.41 -1.51 0.45 -3.46 116.25 114.24 1t3k h VAL 62 Ca 0.30 -0.32 -0.30 0.00 -1.23 0.00 0.00 66.70 65.15 1t3k h VAL 62 Cb 1.44 0.12 -0.07 0.00 -2.13 0.00 0.00 31.29 30.65 1t3k h VAL 62 CO 0.63 0.17 -0.33 0.29 -1.23 0.00 0.00 177.57 177.10 1t3k n LYS 63 N -4.44 -1.69 0.00 5.19 5.02 -1.26 -3.30 118.16 117.67 1t3k n LYS 63 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1t3k n LYS 63 Cb 0.09 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 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 -1.27 0.00 -4.55 4.39 8.00 -1.26 -4.78 116.55 117.08 1t3k n ASP 64 Ca -0.16 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.94 1t3k n ASP 64 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1t3k n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1t3k s LYS 65 N 0.00 3.22 -0.25 -1.24 1.02 -1.21 -4.79 119.74 116.49 1t3k s LYS 65 Ca 0.00 -0.44 -0.07 0.00 0.02 0.00 0.00 55.97 55.48 1t3k s LYS 65 Cb 0.00 -4.63 0.12 0.00 -0.52 0.00 0.00 37.83 32.80 1t3k s LYS 65 CO 0.00 -2.30 0.53 0.34 -0.92 0.00 0.00 175.35 172.99 1t3k s ASP 66 N 4.84 -0.68 -0.03 2.83 2.15 -1.25 -4.82 116.67 119.70 1t3k s ASP 66 Ca 0.44 1.14 0.07 0.00 0.43 0.00 0.00 52.55 54.62 1t3k s ASP 66 Cb -0.06 1.79 -0.01 0.00 -0.30 0.00 0.00 42.92 44.34 1t3k s ASP 66 CO 0.07 -0.24 -0.22 -0.89 -0.17 0.00 0.00 175.17 173.71 1t3k s THR 67 N 2.75 1.79 -0.08 1.71 2.01 0.90 0.40 115.64 125.11 1t3k s THR 67 Ca 0.00 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1t3k s THR 67 Cb -0.13 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.89 1t3k s THR 67 CO -0.16 0.51 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.32 1t3k s LEU 68 N -0.41 1.92 -0.12 4.42 1.43 -0.49 -0.16 118.68 125.26 1t3k s LEU 68 Ca 0.05 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1t3k s LEU 68 Cb -0.10 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.95 1t3k s LEU 68 CO 0.00 0.11 -0.20 0.54 0.23 0.00 0.00 176.35 177.04 1t3k s VAL 69 N 0.44 1.86 0.15 -1.59 0.11 -0.11 -1.31 120.40 119.96 1t3k s VAL 69 Ca -0.17 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.05 1t3k s VAL 69 Cb -0.17 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 1t3k s VAL 69 CO 0.07 0.51 0.24 0.72 -3.33 0.00 0.00 175.10 173.31 1t3k s PHE 70 N 0.82 3.40 0.00 1.54 -0.71 -0.74 0.08 117.98 122.37 1t3k s PHE 70 Ca -0.08 0.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 1t3k s PHE 70 Cb -0.16 -1.63 0.00 0.00 -1.21 0.00 0.00 43.02 40.02 1t3k s PHE 70 CO -0.01 0.52 0.00 0.72 -1.34 0.00 0.00 175.22 175.11 1t3k n HIS 71 N -0.44 0.00 -2.98 3.49 8.25 -0.69 -4.15 115.22 118.71 1t3k n HIS 71 Ca -0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 1t3k n HIS 71 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 1t3k n HIS 71 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1t3k n SER 72 N 0.00 -1.16 0.00 0.41 7.64 -1.26 -4.27 113.62 114.97 1t3k n SER 72 Ca 0.00 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1t3k n SER 72 Cb 0.00 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3k n ALA 73 N -2.76 0.58 0.05 -0.43 0.00 -1.26 -4.95 120.51 111.74 1t3k n ALA 73 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1t3k n ALA 73 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1t3k n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t3k n LEU 74 N -2.13 0.63 -0.58 0.00 4.32 -1.26 -5.02 117.00 112.97 1t3k n LEU 74 Ca 0.00 0.16 -0.08 0.00 -0.02 0.00 0.00 56.01 56.07 1t3k n LEU 74 Cb 0.00 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 41.63 1t3k n LEU 74 CO 0.00 -0.59 -0.07 -0.24 -1.22 0.00 0.00 177.39 175.27 1t3k n SER 75 N -3.34 -4.35 0.00 -1.43 2.88 -1.26 -4.71 113.62 101.40 1t3k n SER 75 Ca 0.00 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1t3k n SER 75 Cb 0.11 -2.52 0.00 0.00 -0.75 0.00 0.00 64.21 61.05 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 -2.19 0.00 0.00 -1.46 6.02 -1.26 -4.99 117.38 113.51 1t3k n GLN 76 Ca -0.08 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1t3k n GLN 76 Cb 0.32 -0.37 0.00 0.00 1.02 0.00 0.00 30.24 31.21 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 -1.53 0.00 0.16 5.09 0.24 -1.26 -4.89 118.33 116.14 1t3k n VAL 77 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1t3k n VAL 77 Cb 0.00 0.61 0.14 0.00 -1.47 0.00 0.00 33.84 33.12 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 -0.97 7.34 -0.00 -1.98 -3.33 114.38 115.44 1t3k h ARG 78 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 59.98 59.61 1t3k h ARG 78 Cb 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 30.15 1t3k h ARG 78 CO 0.00 0.46 -0.44 0.41 0.00 0.00 0.00 179.97 180.40 1t3k n GLY 79 N 0.88 -2.17 0.34 0.04 0.00 -1.26 0.14 105.19 103.16 1t3k n GLY 79 Ca 0.01 1.11 0.06 0.00 0.00 0.00 0.00 46.02 47.20 1t3k n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t3k h PRO 80 N 0.00 0.68 -0.87 1.61 0.13 -1.94 0.10 132.00 131.72 1t3k h PRO 80 Ca 0.28 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1t3k h PRO 80 Cb 0.53 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.46 1t3k h PRO 80 CO -0.95 0.45 0.55 1.15 -0.23 0.00 0.00 178.00 178.97 1t3k h THR 81 N 0.70 1.23 -0.81 1.56 2.02 0.11 0.18 112.91 117.90 1t3k h THR 81 Ca 0.27 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1t3k h THR 81 Cb 0.16 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 1t3k h THR 81 CO -0.08 0.24 0.42 0.00 0.37 0.00 0.00 175.52 176.46 1t3k h ALA 83 N 1.32 1.35 -0.46 0.00 0.00 -0.36 -0.86 119.26 120.25 1t3k h ALA 83 Ca 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1t3k h ALA 83 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1t3k h ALA 83 CO -0.04 0.44 0.25 0.00 0.00 0.00 0.00 179.25 179.89 1t3k h ARG 84 N 0.31 0.63 -0.18 0.00 -0.00 0.14 0.77 114.38 116.04 1t3k h ARG 84 Ca 0.06 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.98 59.35 1t3k h ARG 84 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.31 1t3k h ARG 84 CO 0.03 0.47 -0.40 0.00 0.00 0.00 0.00 179.97 180.07 1t3k h ARG 85 N 0.64 0.42 -0.88 0.04 3.08 -0.24 -1.57 114.38 115.87 1t3k h ARG 85 Ca 0.16 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1t3k h ARG 85 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 1t3k h ARG 85 CO -0.03 0.76 0.58 1.25 -1.07 0.00 0.00 179.97 181.46 1t3k h LEU 86 N 0.35 0.93 -1.05 3.04 6.46 -0.14 0.27 115.31 125.17 1t3k h LEU 86 Ca 0.03 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 1t3k h LEU 86 Cb 0.86 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1t3k h LEU 86 CO 0.07 0.63 0.03 0.58 -0.62 0.00 0.00 178.44 179.13 1t3k h VAL 87 N 1.08 1.22 0.12 1.05 2.07 -0.46 -2.04 116.25 119.30 1t3k h VAL 87 Ca 0.36 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1t3k h VAL 87 Cb 0.06 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1t3k h VAL 87 CO -0.11 0.31 -0.12 -0.55 0.02 0.00 0.00 177.57 177.12 1t3k h ASN 88 N 0.67 -0.32 0.19 0.57 7.08 0.44 0.33 115.58 124.53 1t3k h ASN 88 Ca 0.14 0.03 -0.01 0.00 -3.08 0.00 0.00 56.30 53.38 1t3k h ASN 88 Cb 0.37 0.11 0.00 0.00 -2.08 0.00 0.00 38.32 36.73 1t3k h ASN 88 CO 0.01 -0.19 -0.09 0.22 -2.08 0.00 0.00 177.43 175.30 1t3k h TYR 89 N -0.27 -0.24 -0.47 4.14 5.03 -1.24 -0.74 116.97 123.17 1t3k h TYR 89 Ca 0.00 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.45 1t3k h TYR 89 Cb 0.26 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.60 1t3k h TYR 89 CO -0.12 0.08 0.39 1.37 -1.32 0.00 0.00 178.16 178.56 1t3k h LEU 90 N -0.57 0.00 -0.56 2.82 8.10 -1.33 1.37 115.31 125.13 1t3k h LEU 90 Ca -0.03 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.82 1t3k h LEU 90 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 1t3k h LEU 90 CO 0.04 0.00 -0.38 -0.78 -4.11 0.00 0.00 178.44 173.21 1t3k h ASP 91 N 0.00 0.77 0.56 0.17 3.58 0.15 -3.20 116.42 118.46 1t3k h ASP 91 Ca 0.23 -0.34 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 1t3k h ASP 91 Cb 1.00 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 1t3k h ASP 91 CO -0.00 1.07 -0.34 -0.08 -2.88 0.00 0.00 179.24 177.01 1t3k h GLU 92 N 0.60 -0.81 0.00 0.28 4.22 0.33 -3.46 114.58 115.74 1t3k h GLU 92 Ca 0.05 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1t3k h GLU 92 Cb 0.92 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1t3k h GLU 92 CO 0.08 -0.54 0.00 1.17 -2.18 0.00 0.00 179.01 177.54 1t3k n LYS 93 N -4.49 0.00 -0.45 1.92 4.81 -0.62 -5.10 118.16 114.22 1t3k n LYS 93 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1t3k n LYS 93 Cb 0.35 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.40 1t3k n LYS 93 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1t3k n LYS 94 N 0.00 1.25 -0.07 1.64 0.00 -1.21 -4.98 118.16 114.79 1t3k n LYS 94 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1t3k n LYS 94 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1t3k n LYS 94 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1t3k n GLU 95 N -0.66 3.52 -1.37 -1.58 0.28 -1.26 -4.97 120.64 114.59 1t3k n GLU 95 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1t3k n GLU 95 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1t3k n GLU 95 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1t3k n ASP 96 N -0.08 2.53 -3.08 -1.84 5.75 -1.26 -4.54 116.55 114.03 1t3k n ASP 96 Ca 0.00 -2.67 -0.00 0.00 -0.01 0.00 0.00 54.79 52.11 1t3k n ASP 96 Cb 0.00 -1.26 -0.00 0.00 -1.03 0.00 0.00 41.12 38.83 1t3k n ASP 96 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1t3k n THR 97 N 6.67 -2.55 0.32 2.12 5.66 -1.26 -4.78 114.28 120.46 1t3k n THR 97 Ca 0.48 0.44 0.21 0.00 -3.05 0.00 0.00 64.05 62.13 1t3k n THR 97 Cb 0.42 -3.12 1.05 0.00 -1.55 0.00 0.00 70.33 67.14 1t3k n THR 97 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1t3k h GLY 98 N 4.34 0.00 -4.49 1.09 0.00 -1.89 -3.42 103.07 98.70 1t3k h GLY 98 Ca -0.03 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.73 1t3k h GLY 98 CO 0.00 0.00 -0.03 -0.26 0.00 0.00 0.00 176.54 176.26 1t3k s ILE 99 N -3.99 4.73 -0.12 2.60 -4.36 -1.26 -4.69 121.20 114.11 1t3k s ILE 99 Ca -0.03 1.19 -0.25 0.00 -0.26 0.00 0.00 60.65 61.30 1t3k s ILE 99 Cb 0.12 -3.88 -0.27 0.00 1.25 0.00 0.00 42.46 39.67 1t3k s ILE 99 CO 0.45 0.50 0.73 0.50 0.24 0.00 0.00 174.94 177.36 1t3k h LYS 100 N 4.34 0.11 -2.47 0.37 1.63 0.73 -3.47 116.57 117.80 1t3k h LYS 100 Ca -0.49 -0.18 -0.08 0.00 -0.85 0.00 0.00 60.65 59.05 1t3k h LYS 100 Cb 1.21 0.07 -0.26 0.00 -0.60 0.00 0.00 32.23 32.65 1t3k h LYS 100 CO 0.64 1.09 -0.27 1.21 -3.45 0.00 0.00 179.45 178.67 1t3k s ASN 101 N -6.57 -0.52 -0.24 4.20 3.84 -1.25 -5.00 114.94 109.41 1t3k s ASN 101 Ca -0.18 1.06 -0.12 0.00 0.21 0.00 0.00 52.86 53.82 1t3k s ASN 101 Cb -0.00 1.16 -0.05 0.00 -0.55 0.00 0.00 41.25 41.81 1t3k s ASN 101 CO 0.73 -0.21 0.21 0.27 -2.79 0.00 0.00 177.10 175.30 1t3k s ILE 102 N 1.97 5.32 0.22 -5.21 -4.36 -1.25 -1.39 121.20 116.49 1t3k s ILE 102 Ca -0.07 0.29 -0.02 0.00 -0.26 0.00 0.00 60.65 60.59 1t3k s ILE 102 Cb -0.09 -3.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.03 1t3k s ILE 102 CO -0.14 0.32 0.20 -0.04 0.24 0.00 0.00 174.94 175.51 1t3k s MET 103 N 1.18 1.31 0.07 0.37 -1.94 -0.42 -1.73 119.30 118.14 1t3k s MET 103 Ca 0.10 -1.62 0.10 0.00 -1.71 0.00 0.00 55.69 52.55 1t3k s MET 103 Cb -0.14 0.30 -0.03 0.00 2.01 0.00 0.00 34.83 36.97 1t3k s MET 103 CO 0.06 -0.46 -0.26 0.42 -0.01 0.00 0.00 175.02 174.77 1t3k s ILE 104 N -4.05 2.14 0.25 2.53 1.01 -1.09 -1.79 121.20 120.21 1t3k s ILE 104 Ca 0.37 -1.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.23 1t3k s ILE 104 Cb 0.05 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.58 1t3k s ILE 104 CO 0.13 0.27 1.13 -1.48 0.00 0.00 0.00 174.94 174.99 1t3k s LEU 105 N -1.50 4.52 0.02 2.97 -0.00 -1.26 -2.18 118.68 121.25 1t3k s LEU 105 Ca 0.12 2.27 -0.05 0.00 -0.00 0.00 0.00 54.13 56.47 1t3k s LEU 105 Cb -0.10 -3.62 -0.02 0.00 -0.00 0.00 0.00 46.19 42.45 1t3k s LEU 105 CO 0.03 -0.22 1.08 -0.33 -0.00 0.00 0.00 176.35 176.91 1t3k h GLU 106 N 4.24 -0.05 0.00 1.48 5.08 -1.91 -3.35 114.58 120.07 1t3k h GLU 106 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1t3k h GLU 106 Cb 1.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1t3k h GLU 106 CO 0.69 -0.03 0.00 -2.13 -1.00 0.00 0.00 179.01 176.54 1t3k n ARG 107 N -3.14 6.40 0.00 2.33 3.00 -1.26 -5.03 116.66 118.96 1t3k n ARG 107 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1t3k n ARG 107 Cb 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.01 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 0.92 0.21 0.48 5.14 0.00 -1.26 -1.17 105.19 109.51 1t3k n GLY 108 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 0.00 -0.07 1.61 -1.74 -1.26 -4.92 117.46 111.08 1t3k n PHE 109 Ca 0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.78 1t3k n PHE 109 Cb 0.00 0.14 -0.04 0.00 1.52 0.00 0.00 39.48 41.10 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.97 -0.56 0.00 0.00 176.76 175.23 1t3k h ASN 110 N 0.00 0.32 0.15 5.98 -0.00 -1.43 -1.11 115.58 119.50 1t3k h ASN 110 Ca 0.00 -0.21 -0.07 0.00 -0.00 0.00 0.00 56.30 56.02 1t3k h ASN 110 Cb 1.14 -0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 39.37 1t3k h ASN 110 CO 0.00 0.45 -0.26 1.23 -0.00 0.00 0.00 177.43 178.85 1t3k h GLY 111 N 0.18 0.20 0.68 1.57 0.00 -1.92 -0.56 103.07 103.21 1t3k h GLY 111 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1t3k h GLY 111 CO -0.00 0.13 -0.07 -0.25 0.00 0.00 0.00 176.54 176.35 1t3k h TRP 112 N 0.17 -0.19 0.02 5.60 2.91 -1.75 1.75 115.95 124.46 1t3k h TRP 112 Ca 0.03 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.04 1t3k h TRP 112 Cb 0.55 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.26 1t3k h TRP 112 CO 0.01 0.13 -0.01 0.93 -1.03 0.00 0.00 178.44 178.47 1t3k h GLU 113 N -0.53 -0.03 -0.01 2.65 5.08 -1.12 1.19 114.58 121.82 1t3k h GLU 113 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1t3k h GLU 113 Cb 0.41 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1t3k h GLU 113 CO 0.03 0.16 -0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1t3k h ALA 114 N 0.75 0.01 -0.82 3.43 0.00 -1.14 -2.77 119.26 118.72 1t3k h ALA 114 Ca -0.00 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 54.14 1t3k h ALA 114 Cb 0.20 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.60 1t3k h ALA 114 CO 0.01 -0.31 -0.40 0.45 0.00 0.00 0.00 179.25 179.00 1t3k n SER 115 N -4.91 5.62 0.00 0.00 2.88 0.60 -4.67 113.62 113.14 1t3k n SER 115 Ca -0.08 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.70 1t3k n SER 115 Cb 0.20 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 -0.76 0.00 0.07 0.46 0.00 0.32 -4.72 105.19 100.56 1t3k n GLY 116 Ca 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 -0.07 -0.06 1.61 4.81 0.33 -4.42 118.16 120.36 1t3k n LYS 117 Ca 0.00 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1t3k n LYS 117 Cb 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 35.03 34.68 1t3k n LYS 117 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t3k n PRO 118 N -4.04 0.00 -4.53 1.64 -0.02 -1.26 -4.66 135.00 122.13 1t3k n PRO 118 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.19 1t3k n PRO 118 Cb 0.04 -0.06 -0.13 0.00 -0.02 0.00 0.00 33.50 33.33 1t3k n PRO 118 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1t3k s VAL 119 N 0.10 2.58 0.00 -1.45 0.11 -1.26 -5.02 120.40 115.46 1t3k s VAL 119 Ca 0.00 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.60 1t3k s VAL 119 Cb 0.00 -2.12 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 1t3k s VAL 119 CO 0.00 0.21 0.00 0.00 -3.33 0.00 0.00 175.10 171.98 1t3k n ARG 121 N 0.00 0.00 -0.45 0.00 1.74 -1.26 -4.80 116.66 111.89 1t3k n ARG 121 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 1t3k n ARG 121 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t3k n ALA 123 N -2.57 0.00 0.00 0.00 0.00 -1.26 -4.81 120.51 111.87 1t3k n ALA 123 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1t3k n ALA 123 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 -0.08 0.00 1.02 -1.26 -4.98 120.64 115.34 1t3k n GLU 124 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1t3k n GLU 124 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 1t3k n GLU 124 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1t3k n VAL 125 N 0.00 1.61 -0.32 2.62 0.31 -1.26 -4.52 118.33 116.77 1t3k n VAL 125 Ca 0.00 -0.46 0.21 0.00 -0.01 0.00 0.00 64.34 64.08 1t3k n VAL 125 Cb 0.00 -1.74 0.39 0.00 -0.91 0.00 0.00 33.84 31.59 1t3k n VAL 125 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1t3k n PRO 126 N -3.74 -0.07 -1.60 5.55 -0.02 -1.26 -4.49 135.00 129.37 1t3k n PRO 126 Ca -0.40 1.39 -0.56 0.00 -2.02 0.00 0.00 63.50 61.92 1t3k n PRO 126 Cb 0.93 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 32.01 1t3k n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t3k n LYS 128 N 6.43 0.56 -2.14 0.00 5.02 -0.68 -4.94 118.16 122.41 1t3k n LYS 128 Ca 0.33 0.40 -0.15 0.00 -2.02 0.00 0.00 58.31 56.87 1t3k n LYS 128 Cb 0.15 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t3k n GLY 129 N 1.38 0.05 3.00 0.72 0.00 -1.06 -4.91 105.19 104.38 1t3k n GLY 129 Ca -0.37 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.42 0.03 -0.63 1.61 -1.08 -1.13 -3.95 116.67 109.10 1t3k s ASP 130 Ca 0.00 -0.11 0.05 0.00 -0.52 0.00 0.00 52.55 51.97 1t3k s ASP 130 Cb 0.00 0.16 0.20 0.00 -1.46 0.00 0.00 42.92 41.82 1t3k s ASP 130 CO 0.00 -0.19 0.57 0.00 0.52 0.00 0.00 175.17 176.06