#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf2 s PRO 2 N 0.00 3.57 -0.19 0.00 0.04 -1.26 -4.95 135.00 132.21 3kf2 s PRO 2 Ca 0.00 0.45 -0.29 0.00 0.04 0.00 0.00 61.00 61.20 3kf2 s PRO 2 Cb 0.00 -2.24 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 3kf2 s PRO 2 CO 0.00 -0.37 1.16 0.42 0.04 0.00 0.00 177.00 178.26 3kf2 s ILE 3 N -2.93 4.46 0.08 0.56 1.01 -1.26 -5.02 121.20 118.10 3kf2 s ILE 3 Ca 0.51 1.76 0.04 0.00 0.00 0.00 0.00 60.65 62.96 3kf2 s ILE 3 Cb -0.11 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3kf2 s ILE 3 CO 0.49 -0.15 -0.12 0.42 0.00 0.00 0.00 174.94 175.58 3kf2 s THR 4 N 3.33 1.00 -0.03 2.92 -4.23 -1.26 -4.98 115.64 112.40 3kf2 s THR 4 Ca 0.50 -1.46 -0.07 0.00 -1.18 0.00 0.00 61.69 59.48 3kf2 s THR 4 Cb -0.19 -1.18 0.01 0.00 1.34 0.00 0.00 72.50 72.48 3kf2 s THR 4 CO 0.11 -0.40 0.16 0.00 -0.54 0.00 0.00 174.62 173.95 3kf2 s ALA 5 N -1.85 -0.38 0.08 3.99 0.00 -1.26 -5.14 121.76 117.19 3kf2 s ALA 5 Ca 0.01 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.20 3kf2 s ALA 5 Cb -0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3kf2 s ALA 5 CO 0.01 -0.15 -0.17 1.52 0.00 0.00 0.00 175.76 176.97 3kf2 s TYR 6 N -0.71 1.46 -0.07 0.00 -0.85 -1.26 -4.85 117.35 111.07 3kf2 s TYR 6 Ca -0.08 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.01 3kf2 s TYR 6 Cb -0.05 -0.82 -0.04 0.00 0.38 0.00 0.00 41.96 41.44 3kf2 s TYR 6 CO 0.01 0.11 0.07 0.00 -1.52 0.00 0.00 175.55 174.22 3kf2 s ALA 7 N -1.16 3.56 -0.04 9.51 0.00 -1.26 -4.92 121.76 127.46 3kf2 s ALA 7 Ca 0.02 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3kf2 s ALA 7 Cb -0.10 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.37 3kf2 s ALA 7 CO 0.03 0.63 -0.10 -0.65 0.00 0.00 0.00 175.76 175.67 3kf2 s GLN 8 N -1.20 1.13 0.01 0.00 -0.21 -1.26 -5.09 119.66 113.04 3kf2 s GLN 8 Ca 0.17 -0.32 -0.26 0.00 0.02 0.00 0.00 55.36 54.97 3kf2 s GLN 8 Cb -0.12 -1.03 -0.04 0.00 1.00 0.00 0.00 33.01 32.82 3kf2 s GLN 8 CO 0.07 0.09 0.80 -1.14 -2.12 0.00 0.00 175.29 172.99 3kf2 s GLN 9 N 0.34 4.51 0.00 2.91 0.74 -1.26 -4.97 119.66 121.93 3kf2 s GLN 9 Ca -0.06 1.11 0.02 0.00 0.05 0.00 0.00 55.36 56.48 3kf2 s GLN 9 Cb -0.11 -3.41 0.01 0.00 1.10 0.00 0.00 33.01 30.61 3kf2 s GLN 9 CO 0.01 0.15 0.52 0.25 -0.55 0.00 0.00 175.29 175.66 3kf2 n THR 10 N 3.31 0.00 -3.64 -0.34 -2.24 -1.26 -5.04 114.28 105.07 3kf2 n THR 10 Ca -0.00 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 3kf2 n THR 10 Cb 0.51 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.70 3kf2 n THR 10 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kf2 s ARG 11 N -0.23 0.54 0.72 -0.78 3.52 -1.26 -5.11 118.95 116.35 3kf2 s ARG 11 Ca 0.02 0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 56.37 3kf2 s ARG 11 Cb 0.01 0.21 0.13 0.00 -1.56 0.00 0.00 34.95 33.75 3kf2 s ARG 11 CO 0.03 -0.08 0.99 0.20 -0.81 0.00 0.00 175.30 175.63 3kf2 s GLY 12 N 0.72 1.75 0.15 8.12 0.00 -1.26 -4.89 107.32 111.91 3kf2 s GLY 12 Ca -0.02 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 42.73 3kf2 s GLY 12 CO -0.09 -1.22 1.70 -2.00 0.00 0.00 0.00 173.10 171.49 3kf2 h LEU 13 N -0.52 -0.19 -0.54 0.66 5.85 -2.02 -1.67 115.31 116.89 3kf2 h LEU 13 Ca -0.35 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 3kf2 h LEU 13 Cb 1.27 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 3kf2 h LEU 13 CO 0.39 -0.06 -0.01 0.25 -0.34 0.00 0.00 178.44 178.68 3kf2 h LEU 14 N 0.06 0.94 -1.33 2.25 5.85 -2.00 -2.42 115.31 118.65 3kf2 h LEU 14 Ca 0.15 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 3kf2 h LEU 14 Cb 0.22 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3kf2 h LEU 14 CO -0.28 1.02 -0.33 1.23 -0.34 0.00 0.00 178.44 179.73 3kf2 h GLY 15 N 0.83 0.00 0.46 3.75 0.00 -1.91 -2.30 103.07 103.90 3kf2 h GLY 15 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3kf2 h GLY 15 CO 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.56 3kf2 h ILE 17 N -0.54 0.68 -0.11 0.00 2.04 -1.40 0.28 117.51 118.47 3kf2 h ILE 17 Ca 0.00 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3kf2 h ILE 17 Cb 0.56 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3kf2 h ILE 17 CO 0.00 0.00 -0.03 0.40 0.00 0.00 0.00 178.15 178.52 3kf2 h ILE 18 N 0.01 0.88 -0.39 -0.67 2.04 -1.44 -2.15 117.51 115.79 3kf2 h ILE 18 Ca 0.16 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 3kf2 h ILE 18 Cb 0.24 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3kf2 h ILE 18 CO -0.33 0.00 0.11 0.74 0.00 0.00 0.00 178.15 178.67 3kf2 h THR 19 N -0.01 1.18 -0.41 -0.27 2.02 -1.02 -1.80 112.91 112.60 3kf2 h THR 19 Ca 0.05 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3kf2 h THR 19 Cb 0.09 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3kf2 h THR 19 CO -0.12 0.22 0.20 -1.28 0.37 0.00 0.00 175.52 174.92 3kf2 h SER 20 N 0.57 0.29 -0.14 4.18 0.87 0.10 0.15 113.55 119.58 3kf2 h SER 20 Ca 0.13 0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.49 3kf2 h SER 20 Cb 0.20 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3kf2 h SER 20 CO -0.01 0.21 -0.78 -0.07 -0.53 0.00 0.00 176.83 175.66 3kf2 h LEU 21 N 0.41 0.92 -0.27 2.23 4.07 -0.77 -3.21 115.31 118.70 3kf2 h LEU 21 Ca 0.17 -0.64 -0.09 0.00 0.08 0.00 0.00 57.88 57.40 3kf2 h LEU 21 Cb 0.08 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 3kf2 h LEU 21 CO -0.12 1.42 -0.44 0.71 -1.08 0.00 0.00 178.44 178.92 3kf2 h THR 22 N 0.49 0.81 -0.49 0.22 1.35 -1.35 -3.47 112.91 110.48 3kf2 h THR 22 Ca -0.06 -1.97 -0.21 0.00 -0.55 0.00 0.00 66.41 63.62 3kf2 h THR 22 Cb 1.41 2.27 -0.08 0.00 -1.73 0.00 0.00 68.15 70.02 3kf2 h THR 22 CO 0.16 0.43 -0.19 0.61 -0.25 0.00 0.00 175.52 176.28 3kf2 n GLY 23 N 0.95 1.09 3.16 5.82 0.00 0.04 -4.68 105.19 111.58 3kf2 n GLY 23 Ca 0.01 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3kf2 n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kf2 s ARG 24 N -2.71 2.76 -0.24 1.61 3.52 -1.25 -2.20 118.95 120.44 3kf2 s ARG 24 Ca 0.00 -1.02 0.01 0.00 -0.13 0.00 0.00 55.73 54.59 3kf2 s ARG 24 Cb 0.00 -2.90 0.06 0.00 -1.56 0.00 0.00 34.95 30.55 3kf2 s ARG 24 CO 0.00 -0.40 -0.04 0.34 -0.81 0.00 0.00 175.30 174.39 3kf2 s ASP 25 N 1.28 3.90 0.00 -2.12 2.15 0.30 -4.80 116.67 117.38 3kf2 s ASP 25 Ca -0.01 -1.24 0.28 0.00 0.43 0.00 0.00 52.55 52.02 3kf2 s ASP 25 Cb -0.17 -1.19 1.04 0.00 -0.30 0.00 0.00 42.92 42.30 3kf2 s ASP 25 CO -0.06 -0.25 1.75 0.29 -0.17 0.00 0.00 175.17 176.73 3kf2 n LYS 26 N 4.66 0.55 -1.96 4.34 4.76 -1.26 -1.98 118.16 127.27 3kf2 n LYS 26 Ca -0.11 -0.23 -0.36 0.00 -2.87 0.00 0.00 58.31 54.74 3kf2 n LYS 26 Cb 0.44 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.17 3kf2 n LYS 26 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3kf2 s ASN 27 N -2.61 5.10 0.30 4.39 0.02 -1.26 -4.98 114.94 115.91 3kf2 s ASN 27 Ca 0.24 2.45 -0.29 0.00 -1.02 0.00 0.00 52.86 54.24 3kf2 s ASN 27 Cb 0.19 -2.60 -0.10 0.00 0.02 0.00 0.00 41.25 38.76 3kf2 s ASN 27 CO 0.52 -1.66 1.15 -1.58 0.02 0.00 0.00 177.10 175.55 3kf2 s GLN 28 N -3.30 4.53 -0.14 -0.60 0.74 -1.26 -4.96 119.66 114.67 3kf2 s GLN 28 Ca 0.78 1.90 -0.04 0.00 0.05 0.00 0.00 55.36 58.05 3kf2 s GLN 28 Cb -0.32 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 30.64 3kf2 s GLN 28 CO 0.35 0.09 -0.01 0.08 -0.55 0.00 0.00 175.29 175.24 3kf2 s VAL 29 N -1.18 4.12 0.09 1.34 1.01 -1.26 -5.11 120.40 119.41 3kf2 s VAL 29 Ca 0.46 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3kf2 s VAL 29 Cb -0.34 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3kf2 s VAL 29 CO 0.43 0.52 -0.06 -1.61 0.00 0.00 0.00 175.10 174.38 3kf2 s GLU 30 N 0.04 0.82 0.00 2.72 2.02 -1.26 -3.82 118.70 119.22 3kf2 s GLU 30 Ca 0.01 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.68 3kf2 s GLU 30 Cb -0.13 -0.17 0.00 0.00 0.10 0.00 0.00 34.13 33.93 3kf2 s GLU 30 CO 0.02 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.69 3kf2 n GLY 31 N -0.02 0.03 0.08 -1.39 0.00 -1.26 -4.81 105.19 97.82 3kf2 n GLY 31 Ca -0.12 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 3kf2 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kf2 n GLU 32 N 0.07 0.68 -5.07 1.61 4.71 -1.25 -1.65 120.64 119.74 3kf2 n GLU 32 Ca 0.00 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.16 56.81 3kf2 n GLU 32 Cb 0.00 -1.55 -0.17 0.00 -1.01 0.00 0.00 31.44 28.71 3kf2 n GLU 32 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3kf2 s VAL 33 N -2.71 2.13 -0.13 2.62 1.01 -1.26 -0.71 120.40 121.35 3kf2 s VAL 33 Ca -0.09 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 3kf2 s VAL 33 Cb 0.08 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3kf2 s VAL 33 CO 0.84 0.55 0.09 -1.10 0.00 0.00 0.00 175.10 175.49 3kf2 s GLN 34 N 0.45 3.53 -0.15 2.72 -1.52 0.12 -4.95 119.66 119.85 3kf2 s GLN 34 Ca -0.16 -0.25 -0.22 0.00 -1.95 0.00 0.00 55.36 52.79 3kf2 s GLN 34 Cb -0.17 -3.13 -0.03 0.00 -0.22 0.00 0.00 33.01 29.46 3kf2 s GLN 34 CO 0.06 0.61 0.66 0.42 -0.25 0.00 0.00 175.29 176.79 3kf2 s ILE 35 N -0.55 5.02 0.04 1.08 1.01 -1.26 -1.32 121.20 125.21 3kf2 s ILE 35 Ca 0.11 1.30 0.04 0.00 0.00 0.00 0.00 60.65 62.11 3kf2 s ILE 35 Cb -0.12 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3kf2 s ILE 35 CO 0.02 0.15 -0.13 -0.69 0.00 0.00 0.00 174.94 174.29 3kf2 s VAL 36 N 1.55 1.02 -0.01 2.92 1.01 0.04 -4.99 120.40 121.95 3kf2 s VAL 36 Ca 0.32 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3kf2 s VAL 36 Cb -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3kf2 s VAL 36 CO 0.13 -0.03 0.14 -0.55 0.00 0.00 0.00 175.10 174.79 3kf2 s SER 37 N -1.13 0.00 0.10 3.32 0.15 -1.26 -0.68 113.70 114.20 3kf2 s SER 37 Ca 0.00 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.52 3kf2 s SER 37 Cb -0.08 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 3kf2 s SER 37 CO 0.01 -0.32 0.00 0.35 1.20 0.00 0.00 173.24 174.48 3kf2 n THR 38 N 1.69 0.00 -0.17 6.45 -2.24 0.81 -5.00 114.28 115.83 3kf2 n THR 38 Ca -0.21 -0.45 -0.08 0.00 -2.27 0.00 0.00 64.05 61.03 3kf2 n THR 38 Cb 0.56 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 3kf2 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kf2 h ALA 39 N 1.03 0.62 0.00 6.98 0.00 -1.99 -3.31 119.26 122.60 3kf2 h ALA 39 Ca -0.08 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 3kf2 h ALA 39 Cb 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3kf2 h ALA 39 CO 0.13 0.21 -1.35 1.79 0.00 0.00 0.00 179.25 180.03 3kf2 h THR 40 N 0.63 0.95 -3.13 0.00 1.35 -1.99 -3.49 112.91 107.24 3kf2 h THR 40 Ca 0.16 -2.63 -0.05 0.00 -0.55 0.00 0.00 66.41 63.34 3kf2 h THR 40 Cb 0.17 2.41 -0.14 0.00 -1.73 0.00 0.00 68.15 68.87 3kf2 h THR 40 CO -0.02 0.54 -0.01 0.00 -0.25 0.00 0.00 175.52 175.79 3kf2 s GLN 41 N -2.74 1.07 -0.02 4.72 -2.07 -1.25 -5.16 119.66 114.21 3kf2 s GLN 41 Ca -0.02 -0.50 0.06 0.00 -1.82 0.00 0.00 55.36 53.08 3kf2 s GLN 41 Cb 0.09 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.47 3kf2 s GLN 41 CO 0.81 -0.41 -0.21 -0.08 -1.32 0.00 0.00 175.29 174.08 3kf2 s THR 42 N -3.26 1.69 0.00 3.63 -1.32 -1.26 -0.13 115.64 114.98 3kf2 s THR 42 Ca -0.01 -0.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 3kf2 s THR 42 Cb 0.00 -1.41 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 3kf2 s THR 42 CO -0.08 0.48 0.00 2.22 -2.21 0.00 0.00 174.62 175.03 3kf2 n PHE 43 N 2.63 -0.26 -4.42 9.09 -1.74 0.14 -4.31 117.46 118.59 3kf2 n PHE 43 Ca -0.16 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.47 3kf2 n PHE 43 Cb 0.53 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.41 3kf2 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3kf2 s LEU 44 N 0.00 2.45 -0.03 5.98 1.43 0.46 -0.78 118.68 128.20 3kf2 s LEU 44 Ca 0.00 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 3kf2 s LEU 44 Cb 0.00 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 45.11 3kf2 s LEU 44 CO 0.00 0.09 -0.05 0.00 0.23 0.00 0.00 176.35 176.63 3kf2 s ALA 45 N -1.82 0.60 -0.13 4.21 0.00 -0.43 -4.06 121.76 120.13 3kf2 s ALA 45 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 3kf2 s ALA 45 Cb -0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3kf2 s ALA 45 CO 0.10 0.03 -0.12 0.99 0.00 0.00 0.00 175.76 176.77 3kf2 s THR 46 N 0.59 3.16 -0.22 0.00 2.01 0.44 0.11 115.64 121.74 3kf2 s THR 46 Ca -0.08 -0.63 -0.23 0.00 0.31 0.00 0.00 61.69 61.07 3kf2 s THR 46 Cb -0.11 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 3kf2 s THR 46 CO 0.00 0.53 0.75 0.00 -0.69 0.00 0.00 174.62 175.21 3kf2 s ILE 48 N 2.40 0.73 -1.60 0.00 1.01 -0.13 -0.68 121.20 122.92 3kf2 s ILE 48 Ca 0.33 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 3kf2 s ILE 48 Cb -0.16 -0.68 0.06 0.00 0.01 0.00 0.00 42.46 41.69 3kf2 s ILE 48 CO 0.09 0.25 0.25 0.59 0.00 0.00 0.00 174.94 176.12 3kf2 n ASN 49 N 3.57 -0.12 0.00 3.58 3.02 -0.70 -1.00 115.26 123.62 3kf2 n ASN 49 Ca -0.21 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 3kf2 n ASN 49 Cb 0.53 -1.94 0.00 0.00 -0.61 0.00 0.00 39.78 37.76 3kf2 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kf2 n GLY 50 N -2.10 1.04 3.40 7.41 0.00 -1.26 -5.01 105.19 108.67 3kf2 n GLY 50 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3kf2 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kf2 s VAL 51 N -3.89 2.71 -0.40 1.61 1.01 -0.17 -1.37 120.40 119.91 3kf2 s VAL 51 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 3kf2 s VAL 51 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3kf2 s VAL 51 CO 0.00 0.58 0.32 0.00 0.00 0.00 0.00 175.10 176.00 3kf2 s TRP 53 N 1.80 3.10 0.15 0.00 0.52 0.31 -0.93 118.94 123.88 3kf2 s TRP 53 Ca 0.07 0.11 -0.03 0.00 0.02 0.00 0.00 56.10 56.27 3kf2 s TRP 53 Cb -0.18 -1.69 0.01 0.00 -1.15 0.00 0.00 33.47 30.46 3kf2 s TRP 53 CO 0.11 0.47 0.24 -2.37 0.02 0.00 0.00 176.95 175.42 3kf2 n THR 54 N 1.50 0.00 -3.14 2.01 5.66 -0.51 -0.42 114.28 119.38 3kf2 n THR 54 Ca -0.15 -0.57 -0.39 0.00 -3.05 0.00 0.00 64.05 59.89 3kf2 n THR 54 Cb 0.53 0.41 -0.06 0.00 -1.55 0.00 0.00 70.33 69.67 3kf2 n THR 54 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3kf2 s VAL 55 N -2.61 4.70 0.33 1.08 -7.23 -1.26 -1.38 120.40 114.02 3kf2 s VAL 55 Ca 0.09 1.40 0.01 0.00 -1.81 0.00 0.00 61.98 61.67 3kf2 s VAL 55 Cb -0.01 -3.99 0.24 0.00 0.56 0.00 0.00 36.38 33.18 3kf2 s VAL 55 CO 0.07 0.48 1.97 0.22 -0.31 0.00 0.00 175.10 177.53 3kf2 h TYR 56 N 4.95 0.86 0.00 2.82 3.20 -1.53 -1.44 116.97 125.83 3kf2 h TYR 56 Ca -0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3kf2 h TYR 56 Cb 1.21 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.19 3kf2 h TYR 56 CO 0.66 0.58 0.00 -2.39 -1.64 0.00 0.00 178.16 175.37 3kf2 n HIS 57 N -4.40 0.00 -0.10 -3.82 1.44 -1.26 -0.69 115.22 106.38 3kf2 n HIS 57 Ca 0.07 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.56 3kf2 n HIS 57 Cb 0.07 -0.46 -0.07 0.00 0.12 0.00 0.00 29.99 29.64 3kf2 n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kf2 n GLY 58 N -0.79 -0.32 0.10 -1.39 0.00 -0.74 -4.70 105.19 97.35 3kf2 n GLY 58 Ca 0.02 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3kf2 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kf2 n ALA 59 N -3.86 2.63 -0.34 4.61 0.00 -0.62 -4.92 120.51 118.00 3kf2 n ALA 59 Ca -0.40 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3kf2 n ALA 59 Cb 0.79 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3kf2 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kf2 n GLY 60 N 1.21 2.90 0.95 0.00 0.00 0.13 -1.56 105.19 108.83 3kf2 n GLY 60 Ca 0.00 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3kf2 n GLY 60 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3kf2 n THR 61 N 0.00 0.67 -1.84 2.61 5.66 -1.26 -4.89 114.28 115.22 3kf2 n THR 61 Ca 0.00 -0.83 -0.34 0.00 -3.05 0.00 0.00 64.05 59.83 3kf2 n THR 61 Cb 0.00 0.79 0.04 0.00 -1.55 0.00 0.00 70.33 69.61 3kf2 n THR 61 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3kf2 s ARG 62 N -1.18 2.84 0.83 1.09 0.52 -0.60 -4.84 118.95 117.61 3kf2 s ARG 62 Ca 0.33 1.53 -0.11 0.00 -0.52 0.00 0.00 55.73 56.95 3kf2 s ARG 62 Cb 0.18 -1.94 0.09 0.00 0.52 0.00 0.00 34.95 33.80 3kf2 s ARG 62 CO 0.25 -1.24 1.09 0.95 0.02 0.00 0.00 175.30 176.38 3kf2 s THR 63 N -2.10 2.96 -0.11 0.02 -4.23 -1.26 -4.54 115.64 106.38 3kf2 s THR 63 Ca 0.70 0.31 -0.03 0.00 -1.18 0.00 0.00 61.69 61.49 3kf2 s THR 63 Cb -0.23 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 3kf2 s THR 63 CO 0.38 -0.41 0.01 -0.51 -0.54 0.00 0.00 174.62 173.55 3kf2 s ILE 64 N -3.08 4.36 0.27 2.99 2.07 -0.18 -4.86 121.20 122.77 3kf2 s ILE 64 Ca 0.62 -0.22 -0.29 0.00 -1.41 0.00 0.00 60.65 59.34 3kf2 s ILE 64 Cb -0.16 -2.87 -0.09 0.00 0.13 0.00 0.00 42.46 39.47 3kf2 s ILE 64 CO 0.55 0.57 1.26 0.00 -1.91 0.00 0.00 174.94 175.41 3kf2 s ALA 65 N -0.52 3.49 0.26 1.50 0.00 -1.26 -0.46 121.76 124.77 3kf2 s ALA 65 Ca 0.09 1.12 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 3kf2 s ALA 65 Cb -0.12 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3kf2 s ALA 65 CO 0.02 -0.49 0.32 -1.54 0.00 0.00 0.00 175.76 174.06 3kf2 s SER 66 N -0.23 0.45 0.45 0.00 1.04 -0.95 -4.71 113.70 109.75 3kf2 s SER 66 Ca 0.51 -1.34 0.31 0.00 0.48 0.00 0.00 55.95 55.91 3kf2 s SER 66 Cb -0.37 0.52 1.52 0.00 0.10 0.00 0.00 66.02 67.79 3kf2 s SER 66 CO 0.44 -1.05 1.94 -0.65 0.98 0.00 0.00 173.24 174.90 3kf2 h PRO 67 N 2.35 0.00 -0.47 4.02 0.11 -1.73 0.10 132.00 136.39 3kf2 h PRO 67 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3kf2 h PRO 67 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kf2 h PRO 67 CO 0.43 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.85 3kf2 n LYS 68 N -2.65 2.53 0.00 1.05 5.02 -1.26 -4.72 118.16 118.13 3kf2 n LYS 68 Ca -0.01 -2.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.01 3kf2 n LYS 68 Cb 0.14 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3kf2 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kf2 n GLY 69 N 1.22 -1.18 3.77 0.72 0.00 -0.82 -5.02 105.19 103.89 3kf2 n GLY 69 Ca 0.18 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 3kf2 n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kf2 s PRO 70 N 0.00 4.08 -0.08 1.61 0.02 -0.93 -2.25 135.00 137.44 3kf2 s PRO 70 Ca 0.00 1.75 0.04 0.00 0.02 0.00 0.00 61.00 62.82 3kf2 s PRO 70 Cb 0.00 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.87 3kf2 s PRO 70 CO 0.00 -0.27 -0.23 0.08 -0.33 0.00 0.00 177.00 176.24 3kf2 s VAL 71 N -1.47 2.17 0.41 3.83 1.01 0.39 -4.91 120.40 121.83 3kf2 s VAL 71 Ca 0.57 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 3kf2 s VAL 71 Cb -0.28 -1.82 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 3kf2 s VAL 71 CO 0.36 0.56 0.91 -0.63 0.00 0.00 0.00 175.10 176.30 3kf2 s ILE 72 N 0.11 4.45 0.46 2.22 1.01 -1.26 -1.01 121.20 127.18 3kf2 s ILE 72 Ca -0.11 1.38 -0.25 0.00 0.00 0.00 0.00 60.65 61.67 3kf2 s ILE 72 Cb -0.16 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 3kf2 s ILE 72 CO 0.06 -0.31 1.40 -1.10 0.00 0.00 0.00 174.94 174.99 3kf2 s GLN 73 N -3.19 3.61 -0.04 2.79 -0.21 -1.26 -4.71 119.66 116.65 3kf2 s GLN 73 Ca 0.60 2.35 -0.04 0.00 0.02 0.00 0.00 55.36 58.30 3kf2 s GLN 73 Cb -0.09 -2.59 -0.27 0.00 1.00 0.00 0.00 33.01 31.05 3kf2 s GLN 73 CO 0.15 -0.85 0.67 0.52 -2.12 0.00 0.00 175.29 173.65 3kf2 h MET 74 N 2.19 0.25 -5.22 2.91 2.86 -0.56 -3.48 114.93 113.89 3kf2 h MET 74 Ca -0.51 -0.43 -0.43 0.00 -2.06 0.00 0.00 59.70 56.27 3kf2 h MET 74 Cb 1.27 0.16 -0.25 0.00 0.06 0.00 0.00 31.60 32.84 3kf2 h MET 74 CO 0.60 1.11 -0.79 0.71 1.06 0.00 0.00 176.91 179.60 3kf2 s TYR 75 N -2.59 1.16 -0.14 -0.22 2.02 -1.00 -4.97 117.35 111.59 3kf2 s TYR 75 Ca -0.13 -0.34 -0.07 0.00 -0.37 0.00 0.00 57.07 56.16 3kf2 s TYR 75 Cb 0.07 -0.69 0.06 0.00 -0.40 0.00 0.00 41.96 41.00 3kf2 s TYR 75 CO 0.83 0.02 0.32 0.99 -1.57 0.00 0.00 175.55 176.15 3kf2 s THR 76 N -0.81 -0.21 -0.39 -0.71 2.01 -1.26 -1.35 115.64 112.91 3kf2 s THR 76 Ca 0.01 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.21 3kf2 s THR 76 Cb -0.08 -0.51 0.16 0.00 0.01 0.00 0.00 72.50 72.09 3kf2 s THR 76 CO 0.01 0.07 0.40 0.21 -0.69 0.00 0.00 174.62 174.61 3kf2 s ASN 77 N 1.76 1.06 0.32 3.53 3.84 -0.26 -5.01 114.94 120.19 3kf2 s ASN 77 Ca -0.06 -1.95 0.10 0.00 0.21 0.00 0.00 52.86 51.16 3kf2 s ASN 77 Cb -0.10 0.44 0.91 0.00 -0.55 0.00 0.00 41.25 41.94 3kf2 s ASN 77 CO -0.10 -0.22 1.72 0.58 -2.79 0.00 0.00 177.10 176.29 3kf2 h VAL 78 N 4.94 0.52 -0.14 -5.21 2.07 -1.96 -1.24 116.25 115.22 3kf2 h VAL 78 Ca 0.10 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3kf2 h VAL 78 Cb 1.03 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3kf2 h VAL 78 CO 0.21 0.10 -0.11 0.44 0.02 0.00 0.00 177.57 178.24 3kf2 h ASP 79 N 0.56 0.33 0.50 0.57 3.32 -1.94 -2.65 116.42 117.10 3kf2 h ASP 79 Ca 0.65 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kf2 h ASP 79 Cb 1.27 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3kf2 h ASP 79 CO -0.48 0.72 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 3kf2 n GLN 80 N -4.61 0.34 -3.33 3.56 1.13 -1.02 -4.91 117.38 108.54 3kf2 n GLN 80 Ca -0.06 0.05 -0.18 0.00 -1.94 0.00 0.00 57.00 54.87 3kf2 n GLN 80 Cb 0.33 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.24 3kf2 n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3kf2 n ASP 81 N -1.30 -4.86 -4.29 1.08 2.03 -0.52 -4.94 116.55 103.75 3kf2 n ASP 81 Ca 0.12 -0.44 -0.29 0.00 0.52 0.00 0.00 54.79 54.70 3kf2 n ASP 81 Cb 0.21 -4.10 -0.15 0.00 -0.72 0.00 0.00 41.12 36.36 3kf2 n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kf2 s LEU 82 N -5.89 2.10 0.07 -2.67 1.43 -0.88 -1.58 118.68 111.25 3kf2 s LEU 82 Ca 0.38 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3kf2 s LEU 82 Cb -0.17 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 3kf2 s LEU 82 CO 0.58 0.27 -0.07 0.68 0.23 0.00 0.00 176.35 178.03 3kf2 s VAL 83 N -0.66 0.62 0.01 -1.59 -7.23 -0.48 -1.10 120.40 109.97 3kf2 s VAL 83 Ca 0.10 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 3kf2 s VAL 83 Cb -0.09 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 3kf2 s VAL 83 CO 0.00 -0.58 0.02 -0.83 -0.31 0.00 0.00 175.10 173.41 3kf2 s GLY 84 N -2.17 0.13 0.28 2.32 0.00 -0.46 -1.42 107.32 106.00 3kf2 s GLY 84 Ca -0.01 -0.31 0.08 0.00 0.00 0.00 0.00 44.72 44.48 3kf2 s GLY 84 CO -0.02 -0.38 -0.09 -0.98 0.00 0.00 0.00 173.10 171.63 3kf2 s TRP 85 N -1.06 2.05 0.31 1.90 0.51 -0.11 0.23 118.94 122.78 3kf2 s TRP 85 Ca -0.12 -0.60 -0.30 0.00 -2.12 0.00 0.00 56.10 52.96 3kf2 s TRP 85 Cb -0.07 -1.12 -0.11 0.00 -0.81 0.00 0.00 33.47 31.35 3kf2 s TRP 85 CO -0.00 0.40 1.58 -2.14 -0.51 0.00 0.00 176.95 176.28 3kf2 s PRO 86 N -3.67 4.10 0.23 4.98 0.02 -1.26 -0.18 135.00 139.23 3kf2 s PRO 86 Ca 0.29 2.60 -0.31 0.00 0.02 0.00 0.00 61.00 63.60 3kf2 s PRO 86 Cb 0.02 -3.00 -0.12 0.00 0.02 0.00 0.00 34.50 31.42 3kf2 s PRO 86 CO 0.13 -0.63 1.68 0.00 -0.33 0.00 0.00 177.00 177.85 3kf2 n ALA 87 N 1.78 2.73 -1.73 -1.55 0.00 -0.47 -4.48 120.51 116.79 3kf2 n ALA 87 Ca 0.07 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.53 3kf2 n ALA 87 Cb 0.38 -2.50 0.06 0.00 0.00 0.00 0.00 19.45 17.38 3kf2 n ALA 87 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kf2 n PRO 88 N 3.40 1.28 -1.68 0.00 -0.02 -1.26 -4.91 135.00 131.80 3kf2 n PRO 88 Ca 0.14 0.49 -0.45 0.00 -2.02 0.00 0.00 63.50 61.65 3kf2 n PRO 88 Cb 0.35 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 3kf2 n PRO 88 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kf2 n GLN 89 N -1.65 2.30 0.00 -0.52 1.13 -1.26 -2.32 117.38 115.06 3kf2 n GLN 89 Ca 0.14 0.83 0.00 0.00 -1.94 0.00 0.00 57.00 56.04 3kf2 n GLN 89 Cb 0.47 -2.63 0.00 0.00 0.11 0.00 0.00 30.24 28.19 3kf2 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kf2 n GLY 90 N 3.63 2.72 3.63 1.08 0.00 -1.26 -4.17 105.19 110.81 3kf2 n GLY 90 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3kf2 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kf2 s SER 91 N -0.07 2.41 -0.02 1.61 1.04 -0.98 -4.33 113.70 113.36 3kf2 s SER 91 Ca 0.00 1.61 0.06 0.00 0.48 0.00 0.00 55.95 58.10 3kf2 s SER 91 Cb 0.00 -2.27 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 3kf2 s SER 91 CO 0.00 -3.33 -0.21 -0.13 0.98 0.00 0.00 173.24 170.55 3kf2 s ARG 92 N -4.72 1.81 -0.01 4.02 1.81 -0.66 -4.86 118.95 116.35 3kf2 s ARG 92 Ca 0.66 -0.77 -0.10 0.00 -1.72 0.00 0.00 55.73 53.80 3kf2 s ARG 92 Cb -0.21 -1.72 -0.05 0.00 -0.45 0.00 0.00 34.95 32.52 3kf2 s ARG 92 CO 0.60 0.44 0.32 -1.12 -0.68 0.00 0.00 175.30 174.86 3kf2 s SER 93 N -0.44 6.61 0.76 0.23 0.01 -1.26 -3.92 113.70 115.69 3kf2 s SER 93 Ca 0.06 0.73 -0.11 0.00 1.31 0.00 0.00 55.95 57.94 3kf2 s SER 93 Cb -0.09 -2.16 0.05 0.00 0.21 0.00 0.00 66.02 64.03 3kf2 s SER 93 CO -0.00 0.29 1.09 -0.76 0.41 0.00 0.00 173.24 174.28 3kf2 s LEU 94 N -1.40 2.74 0.10 2.44 1.43 0.14 -4.84 118.68 119.28 3kf2 s LEU 94 Ca 0.25 1.27 0.10 0.00 -1.03 0.00 0.00 54.13 54.72 3kf2 s LEU 94 Cb -0.14 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 3kf2 s LEU 94 CO 0.13 -1.72 -0.27 0.42 0.23 0.00 0.00 176.35 175.14 3kf2 s THR 95 N -3.22 2.22 0.64 5.49 -4.23 -1.26 -1.72 115.64 113.56 3kf2 s THR 95 Ca 0.60 -1.61 -0.18 0.00 -1.18 0.00 0.00 61.69 59.32 3kf2 s THR 95 Cb -0.13 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 3kf2 s THR 95 CO 0.53 0.20 1.04 -2.65 -0.54 0.00 0.00 174.62 173.21 3kf2 n PRO 96 N 1.26 0.87 -2.25 3.99 -0.02 -1.26 -0.66 135.00 136.92 3kf2 n PRO 96 Ca -0.18 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 3kf2 n PRO 96 Cb 0.53 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3kf2 n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kf2 n THR 98 N 3.24 0.00 -0.38 0.00 -2.24 -1.26 -4.98 114.28 108.66 3kf2 n THR 98 Ca 0.08 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 3kf2 n THR 98 Cb 0.43 0.60 0.28 0.00 -2.10 0.00 0.00 70.33 69.54 3kf2 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kf2 n GLY 100 N 1.35 3.70 3.72 0.00 0.00 -1.26 -5.07 105.19 107.62 3kf2 n GLY 100 Ca 0.09 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 3kf2 n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kf2 s SER 101 N -1.66 4.17 0.00 1.61 0.15 -1.26 -4.97 113.70 111.74 3kf2 s SER 101 Ca 0.39 2.49 0.01 0.00 0.70 0.00 0.00 55.95 59.54 3kf2 s SER 101 Cb 0.30 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 3kf2 s SER 101 CO 0.11 -2.29 0.99 -1.54 1.20 0.00 0.00 173.24 171.71 3kf2 n SER 102 N -2.54 2.01 -4.50 5.45 3.41 -1.26 -4.91 113.62 111.28 3kf2 n SER 102 Ca 0.15 -1.94 -0.43 0.00 -0.26 0.00 0.00 58.87 56.39 3kf2 n SER 102 Cb 0.49 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 3kf2 n SER 102 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kf2 s ASP 103 N -0.94 6.28 0.28 4.04 1.01 -1.26 -0.36 116.67 125.71 3kf2 s ASP 103 Ca 0.02 -0.49 0.09 0.00 0.71 0.00 0.00 52.55 52.88 3kf2 s ASP 103 Cb 0.01 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 3kf2 s ASP 103 CO 0.01 -0.73 0.02 -0.76 0.21 0.00 0.00 175.17 173.93 3kf2 s LEU 104 N 2.59 3.23 -0.11 1.23 1.43 0.84 -3.88 118.68 124.02 3kf2 s LEU 104 Ca 0.19 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3kf2 s LEU 104 Cb -0.15 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.37 3kf2 s LEU 104 CO 0.17 -0.04 0.05 -0.31 0.23 0.00 0.00 176.35 176.45 3kf2 s TYR 105 N -2.33 0.34 -0.09 0.29 2.02 0.12 -0.25 117.35 117.45 3kf2 s TYR 105 Ca 0.32 -0.14 -0.17 0.00 -0.37 0.00 0.00 57.07 56.72 3kf2 s TYR 105 Cb -0.06 -0.68 -0.05 0.00 -0.40 0.00 0.00 41.96 40.78 3kf2 s TYR 105 CO 0.20 -0.37 0.44 -1.17 -1.57 0.00 0.00 175.55 173.09 3kf2 s LEU 106 N 2.08 4.33 -0.28 -1.29 2.96 -0.15 0.22 118.68 126.55 3kf2 s LEU 106 Ca 0.03 0.83 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 3kf2 s LEU 106 Cb -0.14 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 3kf2 s LEU 106 CO -0.06 0.10 0.10 -0.69 -1.32 0.00 0.00 176.35 174.47 3kf2 s VAL 107 N 0.16 4.34 0.68 1.68 1.01 -0.90 -0.37 120.40 126.99 3kf2 s VAL 107 Ca 0.24 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 3kf2 s VAL 107 Cb -0.15 -3.13 0.05 0.00 0.00 0.00 0.00 36.38 33.15 3kf2 s VAL 107 CO 0.11 0.20 0.98 0.42 0.00 0.00 0.00 175.10 176.81 3kf2 s THR 108 N 1.59 2.52 0.04 3.92 -4.23 -0.56 -4.33 115.64 114.58 3kf2 s THR 108 Ca 0.05 -0.25 0.32 0.00 -1.18 0.00 0.00 61.69 60.62 3kf2 s THR 108 Cb -0.16 -3.07 0.34 0.00 1.34 0.00 0.00 72.50 70.95 3kf2 s THR 108 CO 0.04 -0.07 1.95 0.08 -0.54 0.00 0.00 174.62 176.08 3kf2 h ARG 109 N -0.49 0.00 -0.32 3.99 0.11 -1.88 -0.09 114.38 115.72 3kf2 h ARG 109 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 3kf2 h ARG 109 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 3kf2 h ARG 109 CO 0.60 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.39 3kf2 n HIS 110 N -2.72 0.42 -2.49 4.08 8.25 -1.26 -4.91 115.22 116.58 3kf2 n HIS 110 Ca -0.00 -0.21 -0.17 0.00 -0.26 0.00 0.00 57.72 57.08 3kf2 n HIS 110 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3kf2 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kf2 n ALA 111 N 0.52 -0.58 -2.36 -1.41 0.00 -0.05 -4.68 120.51 111.96 3kf2 n ALA 111 Ca 0.13 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 3kf2 n ALA 111 Cb 0.32 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.42 3kf2 n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kf2 s ASP 112 N -2.42 6.64 -0.12 0.00 1.01 -1.26 -4.47 116.67 116.06 3kf2 s ASP 112 Ca 0.08 0.99 0.02 0.00 0.71 0.00 0.00 52.55 54.34 3kf2 s ASP 112 Cb -0.03 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 3kf2 s ASP 112 CO 0.10 -0.12 -0.18 0.68 0.21 0.00 0.00 175.17 175.86 3kf2 s VAL 113 N -1.88 2.61 -0.09 -1.27 -7.23 -1.26 -1.50 120.40 109.78 3kf2 s VAL 113 Ca 0.49 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.87 3kf2 s VAL 113 Cb -0.11 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.78 3kf2 s VAL 113 CO 0.21 0.54 -0.20 0.27 -0.31 0.00 0.00 175.10 175.61 3kf2 s ILE 114 N 0.37 1.74 0.27 -0.62 -4.36 0.49 -4.91 121.20 114.17 3kf2 s ILE 114 Ca -0.14 -0.83 -0.30 0.00 -0.26 0.00 0.00 60.65 59.13 3kf2 s ILE 114 Cb -0.17 -1.52 -0.10 0.00 1.25 0.00 0.00 42.46 41.92 3kf2 s ILE 114 CO 0.07 0.49 1.42 -2.16 0.24 0.00 0.00 174.94 175.00 3kf2 s PRO 115 N 0.49 4.27 0.01 0.37 0.04 -1.26 -0.98 135.00 137.94 3kf2 s PRO 115 Ca -0.17 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.19 3kf2 s PRO 115 Cb -0.17 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 3kf2 s PRO 115 CO 0.06 -0.39 -0.06 0.14 0.04 0.00 0.00 177.00 176.79 3kf2 s VAL 116 N -0.21 0.46 -0.21 -0.36 -7.23 0.66 -3.05 120.40 110.46 3kf2 s VAL 116 Ca 0.58 -0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 60.13 3kf2 s VAL 116 Cb -0.42 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 3kf2 s VAL 116 CO 0.45 -0.01 0.40 -0.60 -0.31 0.00 0.00 175.10 175.04 3kf2 s ARG 117 N -0.51 4.16 0.12 4.82 3.00 -0.16 -0.11 118.95 130.27 3kf2 s ARG 117 Ca -0.01 0.20 -0.31 0.00 -1.00 0.00 0.00 55.73 54.61 3kf2 s ARG 117 Cb -0.04 -3.55 -0.09 0.00 0.00 0.00 0.00 34.95 31.27 3kf2 s ARG 117 CO -0.00 -0.06 1.54 0.50 0.00 0.00 0.00 175.30 177.28 3kf2 s ARG 118 N 1.38 4.24 -0.23 5.12 3.52 0.51 -0.83 118.95 132.66 3kf2 s ARG 118 Ca 0.19 2.27 0.10 0.00 -0.13 0.00 0.00 55.73 58.16 3kf2 s ARG 118 Cb -0.15 -3.32 0.43 0.00 -1.56 0.00 0.00 34.95 30.35 3kf2 s ARG 118 CO 0.08 -0.61 1.21 0.54 -0.81 0.00 0.00 175.30 175.72 3kf2 n ARG 119 N 4.51 2.15 0.00 5.12 5.12 0.06 -4.92 116.66 128.70 3kf2 n ARG 119 Ca 0.14 -3.55 0.00 0.00 -1.93 0.00 0.00 57.85 52.51 3kf2 n ARG 119 Cb 0.40 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 3kf2 n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kf2 n GLY 120 N -0.99 3.06 0.00 -0.13 0.00 -1.25 -4.81 105.19 101.07 3kf2 n GLY 120 Ca 0.26 -1.86 0.16 0.00 0.00 0.00 0.00 46.02 44.57 3kf2 n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kf2 n ASP 121 N 0.00 0.00 0.00 1.61 3.85 -1.26 -3.55 116.55 117.20 3kf2 n ASP 121 Ca 0.00 -0.92 0.00 0.00 -0.71 0.00 0.00 54.79 53.16 3kf2 n ASP 121 Cb 0.00 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 3kf2 n ASP 121 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3kf2 n SER 122 N -1.02 0.21 -4.02 -1.12 7.64 -1.26 -4.42 113.62 109.63 3kf2 n SER 122 Ca 0.23 -1.09 -0.12 0.00 1.01 0.00 0.00 58.87 58.91 3kf2 n SER 122 Cb 0.12 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 3kf2 n SER 122 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3kf2 s ARG 123 N -0.09 0.43 0.05 1.43 3.52 -1.23 -0.96 118.95 122.09 3kf2 s ARG 123 Ca 0.00 -0.66 -0.11 0.00 -0.13 0.00 0.00 55.73 54.84 3kf2 s ARG 123 Cb 0.00 -0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.26 3kf2 s ARG 123 CO 0.00 0.01 0.22 0.20 -0.81 0.00 0.00 175.30 174.93 3kf2 s GLY 124 N -1.43 -0.01 -0.01 8.12 0.00 -0.72 -0.76 107.32 112.51 3kf2 s GLY 124 Ca -0.12 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.39 3kf2 s GLY 124 CO -0.00 -0.42 -0.04 -1.35 0.00 0.00 0.00 173.10 171.28 3kf2 s SER 125 N -2.16 4.80 0.04 1.64 1.04 -0.01 -0.87 113.70 118.18 3kf2 s SER 125 Ca -0.04 -0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.01 3kf2 s SER 125 Cb -0.00 -1.19 -0.07 0.00 0.10 0.00 0.00 66.02 64.86 3kf2 s SER 125 CO -0.04 0.30 1.57 -0.76 0.98 0.00 0.00 173.24 175.28 3kf2 s LEU 126 N -1.34 4.35 0.34 2.42 1.43 0.06 -0.99 118.68 124.95 3kf2 s LEU 126 Ca 0.17 2.34 0.05 0.00 -1.03 0.00 0.00 54.13 55.66 3kf2 s LEU 126 Cb -0.11 -3.56 0.63 0.00 0.03 0.00 0.00 46.19 43.18 3kf2 s LEU 126 CO 0.07 -0.84 1.89 -0.07 0.23 0.00 0.00 176.35 177.64 3kf2 h LEU 127 N 8.61 0.48 -6.94 1.79 3.38 -1.86 -3.38 115.31 117.40 3kf2 h LEU 127 Ca -0.41 -0.08 -0.56 0.00 0.09 0.00 0.00 57.88 56.92 3kf2 h LEU 127 Cb 1.19 -0.12 -0.40 0.00 0.09 0.00 0.00 40.66 41.42 3kf2 h LEU 127 CO 0.92 0.54 -0.77 -0.94 0.09 0.00 0.00 178.44 178.28 3kf2 s SER 128 N -6.74 3.71 0.53 -0.43 1.04 -1.26 -5.14 113.70 105.41 3kf2 s SER 128 Ca -0.08 -1.57 -0.20 0.00 0.48 0.00 0.00 55.95 54.58 3kf2 s SER 128 Cb 0.16 -0.61 -0.08 0.00 0.10 0.00 0.00 66.02 65.59 3kf2 s SER 128 CO 0.76 -0.41 0.84 -2.65 0.98 0.00 0.00 173.24 172.76 3kf2 n PRO 129 N 4.90 0.91 -4.18 4.02 -0.02 -1.26 -5.03 135.00 134.35 3kf2 n PRO 129 Ca -0.02 0.34 -0.14 0.00 -2.02 0.00 0.00 63.50 61.66 3kf2 n PRO 129 Cb 0.41 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 31.82 3kf2 n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kf2 s ARG 130 N -2.28 0.86 0.48 -0.52 1.81 -1.16 -4.97 118.95 113.17 3kf2 s ARG 130 Ca 0.69 -1.19 -0.24 0.00 -1.72 0.00 0.00 55.73 53.27 3kf2 s ARG 130 Cb -0.48 -0.50 -0.08 0.00 -0.45 0.00 0.00 34.95 33.45 3kf2 s ARG 130 CO 0.53 0.07 1.30 -0.35 -0.68 0.00 0.00 175.30 176.17 3kf2 n PRO 131 N 0.44 1.82 -0.19 3.54 -0.04 -1.26 -0.51 135.00 138.80 3kf2 n PRO 131 Ca -0.15 0.66 0.15 0.00 -0.04 0.00 0.00 63.50 64.11 3kf2 n PRO 131 Cb 0.58 -2.47 0.47 0.00 -0.04 0.00 0.00 33.50 32.04 3kf2 n PRO 131 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3kf2 h ILE 132 N 1.77 0.80 -0.00 0.52 6.09 -1.45 -1.47 117.51 123.77 3kf2 h ILE 132 Ca -0.49 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 62.83 3kf2 h ILE 132 Cb 1.30 0.27 -0.00 0.00 0.47 0.00 0.00 36.82 38.86 3kf2 h ILE 132 CO 0.58 0.09 0.02 0.77 -3.07 0.00 0.00 178.15 176.55 3kf2 h SER 133 N 0.49 0.00 0.96 2.19 4.64 -1.90 0.66 113.55 120.59 3kf2 h SER 133 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3kf2 h SER 133 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3kf2 h SER 133 CO -0.14 0.00 0.00 0.22 -0.87 0.00 0.00 176.83 176.04 3kf2 h TYR 134 N 0.00 0.00 0.00 4.77 3.20 -1.62 -3.25 116.97 120.06 3kf2 h TYR 134 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3kf2 h TYR 134 Cb 0.05 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 3kf2 h TYR 134 CO 0.00 0.00 -1.54 1.28 -1.64 0.00 0.00 178.16 176.26 3kf2 n LEU 135 N -2.60 0.00 -4.53 2.82 4.32 0.19 -4.86 117.00 112.34 3kf2 n LEU 135 Ca 0.02 0.00 -0.58 0.00 -0.02 0.00 0.00 56.01 55.43 3kf2 n LEU 135 Cb 0.29 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.01 3kf2 n LEU 135 CO 0.24 0.00 0.68 0.29 -1.22 0.00 0.00 177.39 177.38 3kf2 n LYS 136 N -1.92 0.25 -0.84 3.23 4.01 -1.03 -0.92 118.16 120.94 3kf2 n LYS 136 Ca -0.02 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 3kf2 n LYS 136 Cb 0.31 -1.62 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 3kf2 n LYS 136 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kf2 n GLY 137 N 1.88 0.84 0.29 0.72 0.00 -1.26 -4.82 105.19 102.83 3kf2 n GLY 137 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3kf2 n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kf2 n SER 138 N 0.00 1.28 -4.62 1.61 7.64 -0.09 -3.59 113.62 115.85 3kf2 n SER 138 Ca 0.00 -1.03 -0.53 0.00 1.01 0.00 0.00 58.87 58.32 3kf2 n SER 138 Cb 0.00 0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 3kf2 n SER 138 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kf2 n SER 139 N -0.58 1.88 0.00 6.43 7.64 -1.26 -1.50 113.62 126.23 3kf2 n SER 139 Ca 0.10 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3kf2 n SER 139 Cb 0.38 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 3kf2 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kf2 n GLY 140 N 2.92 0.74 3.89 0.23 0.00 -0.25 -0.40 105.19 112.31 3kf2 n GLY 140 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3kf2 n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kf2 s GLY 141 N -1.65 1.62 0.16 -0.02 0.00 -0.56 -3.40 107.32 103.46 3kf2 s GLY 141 Ca 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 3kf2 s GLY 141 CO 0.00 -0.05 0.66 2.56 0.00 0.00 0.00 173.10 176.27 3kf2 s PRO 142 N -5.39 4.25 -0.20 2.90 0.04 -1.26 -0.32 135.00 135.02 3kf2 s PRO 142 Ca 0.59 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.33 3kf2 s PRO 142 Cb -0.11 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 3kf2 s PRO 142 CO 0.51 0.51 0.22 -0.51 0.04 0.00 0.00 177.00 177.77 3kf2 s LEU 143 N -1.57 4.18 0.05 -3.56 1.02 0.11 -2.11 118.68 116.80 3kf2 s LEU 143 Ca 0.37 0.31 0.05 0.00 0.02 0.00 0.00 54.13 54.88 3kf2 s LEU 143 Cb -0.18 -2.24 -0.04 0.00 0.02 0.00 0.00 46.19 43.75 3kf2 s LEU 143 CO 0.21 0.08 -0.07 -0.76 0.02 0.00 0.00 176.35 175.83 3kf2 s LEU 144 N 0.74 3.14 0.66 1.79 1.02 0.13 -0.67 118.68 125.49 3kf2 s LEU 144 Ca 0.12 -0.24 -0.06 0.00 0.02 0.00 0.00 54.13 53.97 3kf2 s LEU 144 Cb -0.13 -1.86 0.04 0.00 0.02 0.00 0.00 46.19 44.27 3kf2 s LEU 144 CO 0.03 0.23 0.97 0.00 0.02 0.00 0.00 176.35 177.61 3kf2 h PRO 146 N -0.44 0.00 -0.33 0.00 0.11 -1.91 0.17 132.00 129.60 3kf2 h PRO 146 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kf2 h PRO 146 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kf2 h PRO 146 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 3kf2 n ALA 147 N -2.22 2.46 -1.08 -0.75 0.00 -1.26 -4.85 120.51 112.81 3kf2 n ALA 147 Ca 0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 53.44 52.78 3kf2 n ALA 147 Cb 0.33 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 3kf2 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kf2 n GLY 148 N 1.12 0.59 3.94 0.00 0.00 0.59 -5.05 105.19 106.38 3kf2 n GLY 148 Ca 0.14 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 3kf2 n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kf2 s HIS 149 N -2.05 3.51 -0.10 1.61 3.76 -1.26 -4.83 115.29 115.93 3kf2 s HIS 149 Ca 0.00 0.42 -0.25 0.00 -0.15 0.00 0.00 55.06 55.08 3kf2 s HIS 149 Cb 0.00 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.71 3kf2 s HIS 149 CO 0.00 0.09 0.77 0.00 -0.85 0.00 0.00 174.74 174.75 3kf2 s ALA 150 N -2.34 3.38 -0.18 -1.40 0.00 0.16 -1.53 121.76 119.86 3kf2 s ALA 150 Ca 0.41 0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.58 3kf2 s ALA 150 Cb -0.10 -3.09 -0.17 0.00 0.00 0.00 0.00 23.12 19.76 3kf2 s ALA 150 CO 0.37 -0.32 -0.05 0.28 0.00 0.00 0.00 175.76 176.03 3kf2 n VAL 151 N 4.16 1.12 -3.91 0.00 0.31 0.15 0.28 118.33 120.43 3kf2 n VAL 151 Ca 0.01 -0.57 0.01 0.00 -0.01 0.00 0.00 64.34 63.78 3kf2 n VAL 151 Cb 0.50 -0.86 0.01 0.00 -0.91 0.00 0.00 33.84 32.58 3kf2 n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kf2 n GLY 152 N 2.25 0.45 3.33 2.92 0.00 -1.15 -0.76 105.19 112.24 3kf2 n GLY 152 Ca -0.30 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 3kf2 n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kf2 s LEU 153 N 0.00 2.50 0.21 0.99 1.02 -0.39 0.08 118.68 123.08 3kf2 s LEU 153 Ca 0.19 -0.39 -0.32 0.00 0.02 0.00 0.00 54.13 53.63 3kf2 s LEU 153 Cb -0.01 -1.53 -0.12 0.00 0.02 0.00 0.00 46.19 44.55 3kf2 s LEU 153 CO 0.01 0.19 1.67 0.33 0.02 0.00 0.00 176.35 178.57 3kf2 n PHE 154 N 3.34 2.66 -0.05 0.29 7.35 0.56 -0.90 117.46 130.72 3kf2 n PHE 154 Ca -0.18 0.12 -0.11 0.00 -0.76 0.00 0.00 57.45 56.52 3kf2 n PHE 154 Cb 0.53 -2.64 -0.04 0.00 0.35 0.00 0.00 39.48 37.68 3kf2 n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3kf2 n ARG 155 N 3.60 0.22 -3.57 -4.13 0.63 -0.02 -1.09 116.66 112.29 3kf2 n ARG 155 Ca 0.15 0.10 -0.16 0.00 -0.92 0.00 0.00 57.85 57.01 3kf2 n ARG 155 Cb 0.34 -0.86 -0.07 0.00 0.45 0.00 0.00 32.46 32.32 3kf2 n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kf2 s ALA 156 N -2.19 -1.69 0.34 5.13 0.00 -1.05 -4.86 121.76 117.44 3kf2 s ALA 156 Ca -0.14 1.47 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 3kf2 s ALA 156 Cb 0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 3kf2 s ALA 156 CO 0.18 -0.35 1.01 0.00 0.00 0.00 0.00 175.76 176.60 3kf2 s ALA 157 N -0.68 3.20 -0.44 0.00 0.00 -1.26 0.25 121.76 122.83 3kf2 s ALA 157 Ca -0.07 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 3kf2 s ALA 157 Cb -0.02 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.91 3kf2 s ALA 157 CO 0.07 -0.02 0.33 0.08 0.00 0.00 0.00 175.76 176.22 3kf2 s VAL 158 N -1.54 5.14 0.37 0.00 1.01 0.12 -4.83 120.40 120.66 3kf2 s VAL 158 Ca 0.52 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3kf2 s VAL 158 Cb -0.22 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3kf2 s VAL 158 CO 0.28 -0.43 0.22 0.00 0.00 0.00 0.00 175.10 175.17 3kf2 s THR 160 N -3.22 -0.61 -1.41 0.00 2.01 -0.88 -4.86 115.64 106.66 3kf2 s THR 160 Ca 0.31 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 3kf2 s THR 160 Cb 0.02 -0.80 0.04 0.00 0.01 0.00 0.00 72.50 71.76 3kf2 s THR 160 CO 0.22 -0.10 0.92 0.54 -0.69 0.00 0.00 174.62 175.51 3kf2 n ARG 161 N 5.37 -5.76 -0.95 4.92 5.12 -1.26 -1.53 116.66 122.57 3kf2 n ARG 161 Ca -0.04 0.65 0.00 0.00 -1.93 0.00 0.00 57.85 56.53 3kf2 n ARG 161 Cb 0.50 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.33 3kf2 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kf2 n GLY 162 N -1.67 0.47 3.27 -0.13 0.00 -1.26 -5.01 105.19 100.87 3kf2 n GLY 162 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3kf2 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kf2 s VAL 163 N -2.20 3.01 -0.21 1.61 1.01 -0.58 -1.09 120.40 121.96 3kf2 s VAL 163 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 3kf2 s VAL 163 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3kf2 s VAL 163 CO 0.00 0.46 1.60 0.00 0.00 0.00 0.00 175.10 177.16 3kf2 s ALA 164 N 1.30 3.32 -0.16 5.51 0.00 0.34 -2.06 121.76 130.01 3kf2 s ALA 164 Ca 0.04 0.50 0.18 0.00 0.00 0.00 0.00 51.96 52.68 3kf2 s ALA 164 Cb -0.14 -3.83 -0.25 0.00 0.00 0.00 0.00 23.12 18.90 3kf2 s ALA 164 CO -0.05 -1.87 0.13 1.63 0.00 0.00 0.00 175.76 175.61 3kf2 n LYS 165 N 7.56 0.83 -4.01 0.00 4.76 -0.87 -3.00 118.16 123.44 3kf2 n LYS 165 Ca 0.18 -0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.48 3kf2 n LYS 165 Cb 0.45 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 3kf2 n LYS 165 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kf2 s ALA 166 N -2.63 -0.01 0.00 7.82 0.00 -0.99 -0.76 121.76 125.18 3kf2 s ALA 166 Ca -0.09 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3kf2 s ALA 166 Cb 0.07 1.07 -0.00 0.00 0.00 0.00 0.00 23.12 24.26 3kf2 s ALA 166 CO 0.80 -0.84 -0.02 0.14 0.00 0.00 0.00 175.76 175.83 3kf2 s VAL 167 N -3.71 0.17 -0.05 0.00 -7.23 -0.05 0.10 120.40 109.63 3kf2 s VAL 167 Ca 0.24 -0.19 -0.13 0.00 -1.81 0.00 0.00 61.98 60.08 3kf2 s VAL 167 Cb -0.01 -0.17 -0.05 0.00 0.56 0.00 0.00 36.38 36.71 3kf2 s VAL 167 CO 0.12 -0.02 0.35 -1.81 -0.31 0.00 0.00 175.10 173.43 3kf2 s ASP 168 N -0.22 6.67 0.13 4.85 1.01 0.14 -1.75 116.67 127.50 3kf2 s ASP 168 Ca -0.01 0.80 0.03 0.00 0.71 0.00 0.00 52.55 54.08 3kf2 s ASP 168 Cb -0.02 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 3kf2 s ASP 168 CO -0.00 0.28 -0.07 0.72 0.21 0.00 0.00 175.17 176.31 3kf2 s PHE 169 N -0.72 1.07 -0.39 4.23 -0.12 -0.14 -0.84 117.98 121.08 3kf2 s PHE 169 Ca 0.21 -0.87 -0.21 0.00 -0.05 0.00 0.00 56.93 56.02 3kf2 s PHE 169 Cb -0.15 -0.59 0.01 0.00 -0.63 0.00 0.00 43.02 41.66 3kf2 s PHE 169 CO 0.10 -0.07 0.66 0.42 -0.05 0.00 0.00 175.22 176.28 3kf2 s ILE 170 N -3.52 4.84 0.44 -4.49 1.01 -0.08 -4.65 121.20 114.76 3kf2 s ILE 170 Ca 0.15 0.45 -0.26 0.00 0.00 0.00 0.00 60.65 61.00 3kf2 s ILE 170 Cb 0.04 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 3kf2 s ILE 170 CO -0.02 -0.43 1.45 -2.84 0.00 0.00 0.00 174.94 173.10 3kf2 s PRO 171 N 2.81 3.74 0.59 2.79 0.02 -1.26 -1.27 135.00 142.41 3kf2 s PRO 171 Ca 0.25 2.46 0.29 0.00 0.02 0.00 0.00 61.00 64.02 3kf2 s PRO 171 Cb -0.14 -2.70 1.54 0.00 0.02 0.00 0.00 34.50 33.22 3kf2 s PRO 171 CO 0.17 -0.79 1.97 -0.24 -0.33 0.00 0.00 177.00 177.78 3kf2 h VAL 172 N 2.40 0.41 -0.92 3.83 3.04 -1.27 -0.82 116.25 122.91 3kf2 h VAL 172 Ca -0.51 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 3kf2 h VAL 172 Cb 1.26 0.70 -0.05 0.00 -2.01 0.00 0.00 31.29 31.20 3kf2 h VAL 172 CO 0.61 0.00 0.58 -0.33 -1.01 0.00 0.00 177.57 177.43 3kf2 h GLU 173 N 0.00 1.23 -0.10 4.17 3.07 -1.90 -1.77 114.58 119.29 3kf2 h GLU 173 Ca 0.17 -0.09 0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3kf2 h GLU 173 Cb 0.92 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3kf2 h GLU 173 CO -0.00 0.84 0.10 -0.91 -1.40 0.00 0.00 179.01 177.64 3kf2 h ASN 174 N 1.26 0.00 0.04 1.42 4.21 -1.50 -1.89 115.58 119.12 3kf2 h ASN 174 Ca 0.33 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.84 3kf2 h ASN 174 Cb -0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.10 3kf2 h ASN 174 CO -0.07 0.00 -0.02 -0.07 -1.29 0.00 0.00 177.43 175.98 3kf2 h LEU 175 N 0.00 -0.05 -0.99 1.61 4.07 -1.38 -1.35 115.31 117.23 3kf2 h LEU 175 Ca 0.05 -0.35 0.04 0.00 0.08 0.00 0.00 57.88 57.70 3kf2 h LEU 175 Cb 0.25 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.95 3kf2 h LEU 175 CO -0.00 0.33 0.64 -0.33 -1.08 0.00 0.00 178.44 178.00 3kf2 h GLU 176 N -0.43 1.19 -0.65 1.13 4.39 -1.39 -0.96 114.58 117.87 3kf2 h GLU 176 Ca -0.01 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3kf2 h GLU 176 Cb 0.39 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3kf2 h GLU 176 CO 0.01 0.79 0.14 1.15 -1.16 0.00 0.00 179.01 179.94 3kf2 h THR 177 N 1.23 1.25 -0.62 1.13 2.02 -1.33 -1.62 112.91 114.98 3kf2 h THR 177 Ca 0.40 -0.95 -0.09 0.00 0.77 0.00 0.00 66.41 66.55 3kf2 h THR 177 Cb 0.05 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3kf2 h THR 177 CO -0.14 0.36 0.04 0.74 0.37 0.00 0.00 175.52 176.89 3kf2 h THR 178 N 0.98 1.26 -0.17 3.16 2.02 -0.81 -2.97 112.91 116.38 3kf2 h THR 178 Ca 0.20 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 3kf2 h THR 178 Cb 0.37 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3kf2 h THR 178 CO 0.00 0.40 -0.09 0.24 0.37 0.00 0.00 175.52 176.44 3kf2 h MET 179 N 0.98 0.26 0.00 6.66 2.07 -0.63 -2.72 114.93 121.55 3kf2 h MET 179 Ca 0.18 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 3kf2 h MET 179 Cb 0.50 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.19 3kf2 h MET 179 CO 0.02 0.37 0.00 0.54 1.07 0.00 0.00 176.91 178.91 3kf2 n ARG 180 N -4.30 0.21 0.00 1.72 1.74 -0.66 -5.10 116.66 110.28 3kf2 n ARG 180 Ca -0.00 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 3kf2 n ARG 180 Cb 0.25 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 3kf2 n ARG 180 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98