#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 n ALA 2 N 0.00 0.85 -0.13 4.61 0.00 -1.26 -4.86 120.51 119.72 2k46 n ALA 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2k46 n ALA 2 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2k46 n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2k46 n MET 3 N -0.64 0.62 -4.31 0.00 2.00 -1.26 -4.97 117.12 108.56 2k46 n MET 3 Ca 0.00 0.23 -0.34 0.00 0.00 0.00 0.00 57.70 57.59 2k46 n MET 3 Cb 0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 33.22 31.61 2k46 n MET 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2k46 s SER 4 N -7.06 5.28 -0.08 7.83 0.15 -1.26 -5.01 113.70 113.55 2k46 s SER 4 Ca -0.36 0.11 0.18 0.00 0.70 0.00 0.00 55.95 56.58 2k46 s SER 4 Cb 0.12 -1.47 0.34 0.00 -1.71 0.00 0.00 66.02 63.30 2k46 s SER 4 CO 0.55 0.34 1.16 0.61 1.20 0.00 0.00 173.24 177.10 2k46 n GLY 5 N 1.83 1.14 0.15 9.45 0.00 -1.26 -4.84 105.19 111.65 2k46 n GLY 5 Ca -0.17 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 2k46 n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k46 h LEU 6 N 1.07 0.42 -2.86 0.99 5.85 -1.95 -2.72 115.31 116.10 2k46 h LEU 6 Ca -0.32 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 57.98 2k46 h LEU 6 Cb 1.60 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 2k46 h LEU 6 CO -0.01 0.75 -0.00 0.00 -0.34 0.00 0.00 178.44 178.84 2k46 h ALA 7 N 0.68 1.10 0.00 1.25 0.00 -1.78 -0.96 119.26 119.55 2k46 h ALA 7 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k46 h ALA 7 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k46 h ALA 7 CO 0.03 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.81 2k46 n ASP 8 N -3.23 0.00 0.00 0.00 2.03 -1.03 -3.47 116.55 110.85 2k46 n ASP 8 Ca -0.03 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2k46 n ASP 8 Cb 0.08 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2k46 n ASP 8 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k46 n LYS 9 N -1.28 1.54 -1.37 -0.67 5.02 -0.41 -5.07 118.16 115.92 2k46 n LYS 9 Ca 0.11 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 2k46 n LYS 9 Cb 0.19 -0.91 0.01 0.00 -0.02 0.00 0.00 35.03 34.30 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2k46 n VAL 10 N -1.33 1.18 0.00 -0.18 3.14 -0.95 -3.35 118.33 116.83 2k46 n VAL 10 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 2k46 n VAL 10 Cb 0.08 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 2k46 n VAL 10 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k46 n ILE 11 N -1.12 0.00 -3.64 1.55 -5.35 -1.17 -4.87 119.36 104.76 2k46 n ILE 11 Ca 0.11 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.55 2k46 n ILE 11 Cb 0.42 0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.26 2k46 n ILE 11 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2k46 s TRP 12 N -0.74 -0.30 -0.11 4.28 -0.00 -1.13 -5.07 118.94 115.87 2k46 s TRP 12 Ca 0.00 0.68 -0.21 0.00 -0.00 0.00 0.00 56.10 56.56 2k46 s TRP 12 Cb 0.00 0.35 0.05 0.00 -0.00 0.00 0.00 33.47 33.87 2k46 s TRP 12 CO 0.00 -0.15 0.52 0.00 -0.00 0.00 0.00 176.95 177.33 2k46 s ALA 13 N 0.53 -1.32 -0.12 5.86 0.00 -1.26 -0.63 121.76 124.83 2k46 s ALA 13 Ca 0.00 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 2k46 s ALA 13 Cb -0.04 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.74 2k46 s ALA 13 CO -0.12 -0.29 0.27 0.08 0.00 0.00 0.00 175.76 175.71 2k46 s VAL 14 N -0.55 -0.04 -0.62 0.00 1.01 -0.44 -2.45 120.40 117.32 2k46 s VAL 14 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2k46 s VAL 14 Cb -0.03 -0.42 0.16 0.00 0.00 0.00 0.00 36.38 36.09 2k46 s VAL 14 CO 0.04 0.05 0.41 0.21 0.00 0.00 0.00 175.10 175.81 2k46 s ASN 15 N 1.22 4.91 -0.38 3.32 3.04 -1.25 0.41 114.94 126.20 2k46 s ASN 15 Ca -0.09 -3.08 -0.27 0.00 0.04 0.00 0.00 52.86 49.47 2k46 s ASN 15 Cb -0.10 -1.76 -0.06 0.00 -1.54 0.00 0.00 41.25 37.79 2k46 s ASN 15 CO -0.09 -0.28 2.34 0.00 -3.04 0.00 0.00 177.10 176.04 2k46 s ALA 16 N -0.39 2.05 0.00 1.71 0.00 0.95 -3.00 121.76 123.08 2k46 s ALA 16 Ca 0.19 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2k46 s ALA 16 Cb -0.20 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.68 2k46 s ALA 16 CO -0.04 -3.82 0.00 0.41 0.00 0.00 0.00 175.76 172.31 2k46 n GLY 17 N 5.92 1.15 0.00 0.00 0.00 -1.25 -3.14 105.19 107.87 2k46 n GLY 17 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2k46 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k46 n GLY 18 N 0.00 1.25 3.52 -0.02 0.00 -1.16 -3.97 105.19 104.81 2k46 n GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k46 n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 19 N 3.99 0.47 0.00 1.61 2.12 -1.26 -4.38 118.70 121.25 2k46 s GLU 19 Ca 0.00 1.16 0.00 0.00 0.36 0.00 0.00 54.97 56.49 2k46 s GLU 19 Cb 0.00 0.69 0.00 0.00 0.26 0.00 0.00 34.13 35.08 2k46 s GLU 19 CO 0.00 -0.19 0.00 0.45 -0.54 0.00 0.00 175.26 174.98 2k46 n SER 20 N 5.29 -6.83 -4.32 -1.70 2.88 -1.24 -4.89 113.62 102.81 2k46 n SER 20 Ca -0.10 0.72 -0.24 0.00 -1.33 0.00 0.00 58.87 57.91 2k46 n SER 20 Cb 0.50 -1.45 -0.12 0.00 -0.75 0.00 0.00 64.21 62.39 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2k46 s HIS 21 N -0.32 1.90 -0.30 0.66 2.46 -1.02 -4.91 115.29 113.76 2k46 s HIS 21 Ca 0.00 -0.42 0.03 0.00 0.47 0.00 0.00 55.06 55.14 2k46 s HIS 21 Cb 0.00 -1.01 0.08 0.00 -0.13 0.00 0.00 32.58 31.52 2k46 s HIS 21 CO 0.00 0.28 -0.01 0.08 -2.47 0.00 0.00 174.74 172.62 2k46 s VAL 22 N -1.41 2.11 0.59 0.89 1.01 -1.26 -0.37 120.40 121.97 2k46 s VAL 22 Ca 0.11 -1.98 -0.17 0.00 0.00 0.00 0.00 61.98 59.94 2k46 s VAL 22 Cb -0.09 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2k46 s VAL 22 CO 0.05 -0.37 1.10 -0.62 0.00 0.00 0.00 175.10 175.26 2k46 s ASP 23 N 1.04 5.56 0.23 3.32 2.15 0.49 -4.84 116.67 124.61 2k46 s ASP 23 Ca 0.03 2.00 -0.13 0.00 0.43 0.00 0.00 52.55 54.88 2k46 s ASP 23 Cb -0.19 -2.56 0.30 0.00 -0.30 0.00 0.00 42.92 40.17 2k46 s ASP 23 CO -0.08 -1.33 1.59 -0.37 -0.17 0.00 0.00 175.17 174.82 2k46 h VAL 24 N 0.60 0.17 -0.08 1.11 -1.51 -1.97 1.13 116.25 115.71 2k46 h VAL 24 Ca -0.48 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.01 2k46 h VAL 24 Cb 1.24 0.17 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2k46 h VAL 24 CO 0.56 0.00 0.20 0.45 -1.23 0.00 0.00 177.57 177.55 2k46 h HIS 25 N -0.02 0.00 0.00 5.19 3.86 -2.04 -3.44 115.15 118.70 2k46 h HIS 25 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2k46 h HIS 25 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2k46 h HIS 25 CO -0.66 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.54 2k46 n GLY 26 N -1.26 1.46 3.55 2.45 0.00 0.39 -4.04 105.19 107.74 2k46 n GLY 26 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2k46 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k46 s ILE 27 N -2.00 4.82 -0.14 -0.61 -1.09 -1.11 -4.46 121.20 116.61 2k46 s ILE 27 Ca 0.00 -0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.37 2k46 s ILE 27 Cb 0.00 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 2k46 s ILE 27 CO 0.00 0.33 0.04 -2.28 -1.23 0.00 0.00 174.94 171.81 2k46 s HIS 28 N 1.38 3.25 -0.16 3.97 5.65 -1.26 -0.38 115.29 127.74 2k46 s HIS 28 Ca 0.06 0.14 -0.08 0.00 0.25 0.00 0.00 55.06 55.43 2k46 s HIS 28 Cb -0.15 -1.95 -0.04 0.00 -1.18 0.00 0.00 32.58 29.26 2k46 s HIS 28 CO 0.06 0.32 0.11 -0.47 -0.65 0.00 0.00 174.74 174.11 2k46 s TYR 29 N -0.23 3.44 -0.40 3.88 5.04 0.51 -4.15 117.35 125.43 2k46 s TYR 29 Ca 0.07 0.35 -0.17 0.00 -2.44 0.00 0.00 57.07 54.88 2k46 s TYR 29 Cb -0.12 -2.05 0.01 0.00 0.35 0.00 0.00 41.96 40.15 2k46 s TYR 29 CO 0.02 0.44 0.45 -0.98 -1.34 0.00 0.00 175.55 174.14 2k46 s ARG 30 N -0.21 3.27 0.00 4.97 1.70 -1.02 -2.42 118.95 125.23 2k46 s ARG 30 Ca 0.10 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 2k46 s ARG 30 Cb -0.12 -3.91 0.00 0.00 -0.57 0.00 0.00 34.95 30.35 2k46 s ARG 30 CO 0.01 -0.78 0.00 1.17 -1.08 0.00 0.00 175.30 174.62 2k46 n LYS 31 N 5.65 0.00 0.00 3.89 4.81 -1.26 -4.02 118.16 127.23 2k46 n LYS 31 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2k46 n LYS 31 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k46 n ASP 32 N 0.00 0.00 -0.48 3.14 8.00 -1.26 -4.78 116.55 121.16 2k46 n ASP 32 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 2k46 n ASP 32 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2k46 n PRO 33 N 0.00 1.21 0.00 -0.24 -0.04 -1.26 -4.42 135.00 130.25 2k46 n PRO 33 Ca 0.00 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2k46 n PRO 33 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 2k46 n PRO 33 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2k46 n LEU 34 N -0.05 0.00 -3.59 1.53 -0.00 -1.26 -4.70 117.00 108.92 2k46 n LEU 34 Ca 0.10 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.70 2k46 n LEU 34 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.86 2k46 n LEU 34 CO 0.27 0.00 2.83 -0.62 -0.00 0.00 0.00 177.39 179.88 2k46 n GLU 35 N 0.00 2.96 0.00 1.47 4.71 -1.26 -4.16 120.64 124.35 2k46 n GLU 35 Ca 0.00 -2.40 0.00 0.00 -0.01 0.00 0.00 57.16 54.75 2k46 n GLU 35 Cb 0.00 -3.11 0.00 0.00 -1.01 0.00 0.00 31.44 27.32 2k46 n GLU 35 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k46 n GLY 36 N 3.98 2.56 3.48 0.62 0.00 -1.26 -3.90 105.19 110.67 2k46 n GLY 36 Ca 0.59 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.36 2k46 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 37 N -2.00 -3.39 -3.67 1.61 1.74 -1.26 -4.93 116.66 104.77 2k46 n ARG 37 Ca 0.00 0.45 -0.12 0.00 -0.77 0.00 0.00 57.85 57.41 2k46 n ARG 37 Cb 0.00 -5.17 -0.12 0.00 -1.02 0.00 0.00 32.46 26.15 2k46 n ARG 37 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2k46 s VAL 38 N -2.97 -0.42 -5.00 1.55 -7.23 -1.25 -5.03 120.40 100.04 2k46 s VAL 38 Ca 0.45 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 2k46 s VAL 38 Cb -0.24 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.20 2k46 s VAL 38 CO 0.55 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 2k46 n GLY 39 N 5.20 0.70 2.02 2.32 0.00 -1.26 -5.06 105.19 109.11 2k46 n GLY 39 Ca -0.09 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2k46 n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k46 n ARG 40 N 0.00 0.00 -2.83 1.61 0.63 -1.26 -5.05 116.66 109.76 2k46 n ARG 40 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2k46 n ARG 40 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k46 s ALA 41 N -1.84 -3.76 -1.01 5.13 0.00 -1.26 -4.35 121.76 114.66 2k46 s ALA 41 Ca 0.00 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.44 2k46 s ALA 41 Cb 0.00 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 2k46 s ALA 41 CO 0.00 -2.42 1.95 0.43 0.00 0.00 0.00 175.76 175.73 2k46 n SER 42 N 3.47 3.05 -1.59 0.00 7.64 -1.26 -4.70 113.62 120.23 2k46 n SER 42 Ca 0.10 -2.73 -0.09 0.00 1.01 0.00 0.00 58.87 57.16 2k46 n SER 42 Cb 0.62 -1.40 0.03 0.00 -1.01 0.00 0.00 64.21 62.45 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k46 n ASP 43 N 9.07 4.96 -4.57 6.43 5.68 -1.26 -4.57 116.55 132.29 2k46 n ASP 43 Ca 0.49 -2.66 -0.43 0.00 -0.50 0.00 0.00 54.79 51.69 2k46 n ASP 43 Cb 0.42 -0.90 -0.04 0.00 -1.14 0.00 0.00 41.12 39.46 2k46 n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k46 n TYR 44 N 0.53 1.79 -3.19 2.11 9.36 -1.26 -2.46 117.16 124.04 2k46 n TYR 44 Ca 0.17 -0.02 -0.14 0.00 3.32 0.00 0.00 57.90 61.23 2k46 n TYR 44 Cb 0.65 -2.68 0.07 0.00 -0.63 0.00 0.00 39.34 36.75 2k46 n TYR 44 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k46 n GLY 45 N 5.94 -0.45 0.00 2.98 0.00 -1.26 -4.88 105.19 107.52 2k46 n GLY 45 Ca 0.33 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.63 2k46 n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2k46 n MET 46 N -3.54 0.97 -0.97 1.61 0.00 -1.03 -4.91 117.12 109.24 2k46 n MET 46 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.16 2k46 n MET 46 Cb 0.64 -1.39 0.03 0.00 0.00 0.00 0.00 33.22 32.49 2k46 n MET 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2k46 n LYS 47 N -0.89 0.00 -2.64 3.17 4.81 -1.26 -3.99 118.16 117.36 2k46 n LYS 47 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.54 2k46 n LYS 47 Cb 0.08 -0.91 0.04 0.00 0.02 0.00 0.00 35.03 34.26 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k46 n LEU 48 N 2.96 -4.62 -4.70 3.14 4.77 -1.26 -4.99 117.00 112.30 2k46 n LEU 48 Ca 0.01 -0.38 -0.32 0.00 -0.03 0.00 0.00 56.01 55.29 2k46 n LEU 48 Cb 0.49 -2.37 0.13 0.00 -2.33 0.00 0.00 43.42 39.34 2k46 n LEU 48 CO 0.49 -0.12 0.73 -2.84 -1.33 0.00 0.00 177.39 174.32 2k46 s PRO 49 N -3.72 1.60 0.41 3.23 0.02 -1.26 -4.94 135.00 130.35 2k46 s PRO 49 Ca 0.24 1.60 -0.26 0.00 0.02 0.00 0.00 61.00 62.59 2k46 s PRO 49 Cb -0.03 -1.79 -0.10 0.00 0.02 0.00 0.00 34.50 32.60 2k46 s PRO 49 CO 0.49 -2.21 1.38 -0.89 -0.33 0.00 0.00 177.00 175.45 2k46 n ILE 50 N -3.55 2.42 0.00 2.83 -0.00 -1.26 -4.95 119.36 114.84 2k46 n ILE 50 Ca 0.12 -0.50 -0.21 0.00 -0.00 0.00 0.00 62.75 62.16 2k46 n ILE 50 Cb 0.51 -1.77 -0.14 0.00 -0.00 0.00 0.00 39.64 38.25 2k46 n ILE 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2k46 h LEU 51 N 2.44 0.36 -2.50 1.39 -0.00 -1.86 -3.36 115.31 111.77 2k46 h LEU 51 Ca -0.49 -0.84 -0.07 0.00 -0.00 0.00 0.00 57.88 56.47 2k46 h LEU 51 Cb 1.27 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.77 2k46 h LEU 51 CO 0.62 1.60 0.10 0.54 -0.00 0.00 0.00 178.44 181.29 2k46 n ARG 52 N -3.96 1.18 -3.80 1.13 5.12 -1.26 -4.80 116.66 110.28 2k46 n ARG 52 Ca -0.25 -0.41 -0.12 0.00 -1.93 0.00 0.00 57.85 55.14 2k46 n ARG 52 Cb 0.88 -1.16 -0.11 0.00 -1.16 0.00 0.00 32.46 30.91 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2k46 s SER 53 N 0.91 -0.20 0.58 0.55 0.15 -1.26 -4.91 113.70 109.52 2k46 s SER 53 Ca 0.08 0.35 -0.19 0.00 0.70 0.00 0.00 55.95 56.89 2k46 s SER 53 Cb 0.06 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 2k46 s SER 53 CO 0.01 -0.14 1.19 0.54 1.20 0.00 0.00 173.24 176.04 2k46 s ASN 54 N -0.16 5.30 0.29 5.45 4.22 -1.26 -4.60 114.94 124.17 2k46 s ASN 54 Ca -0.03 2.34 -0.05 0.00 -2.14 0.00 0.00 52.86 52.99 2k46 s ASN 54 Cb -0.03 -2.59 0.56 0.00 1.28 0.00 0.00 41.25 40.47 2k46 s ASN 54 CO 0.01 -1.52 1.55 -2.65 -2.04 0.00 0.00 177.10 172.45 2k46 n PRO 55 N -1.54 -0.09 0.22 3.55 -0.02 -1.26 0.15 135.00 136.03 2k46 n PRO 55 Ca 0.13 1.53 -0.13 0.00 -2.02 0.00 0.00 63.50 63.01 2k46 n PRO 55 Cb 0.50 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 2k46 n PRO 55 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2k46 h GLU 56 N 0.00 -0.59 0.00 -0.52 4.11 -1.98 -2.83 114.58 112.78 2k46 h GLU 56 Ca 0.52 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.99 2k46 h GLU 56 Cb 0.90 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2k46 h GLU 56 CO -0.99 -0.29 0.00 -3.47 0.07 0.00 0.00 179.01 174.33 2k46 n ASP 57 N -5.21 0.54 0.12 3.06 2.03 -0.93 -2.04 116.55 114.11 2k46 n ASP 57 Ca -0.10 0.63 -0.14 0.00 0.52 0.00 0.00 54.79 55.71 2k46 n ASP 57 Cb 0.29 -0.75 -0.08 0.00 -0.72 0.00 0.00 41.12 39.87 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2k46 h GLN 58 N 0.00 -0.26 -0.32 -0.67 4.15 0.16 0.16 115.11 118.34 2k46 h GLN 58 Ca 0.00 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.51 2k46 h GLN 58 Cb 0.35 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 2k46 h GLN 58 CO 0.00 -0.06 -0.17 0.28 -1.93 0.00 0.00 178.83 176.95 2k46 h VAL 59 N -0.41 0.49 0.00 2.39 2.07 -1.17 0.84 116.25 120.46 2k46 h VAL 59 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k46 h VAL 59 Cb 0.32 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2k46 h VAL 59 CO 0.04 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.88 2k46 h LEU 60 N -0.13 0.00 -3.08 2.57 5.85 -1.43 -1.42 115.31 117.67 2k46 h LEU 60 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2k46 h LEU 60 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2k46 h LEU 60 CO -0.40 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.48 2k46 n TYR 61 N -2.43 0.30 0.00 1.25 4.02 0.13 -4.47 117.16 115.96 2k46 n TYR 61 Ca -0.00 -0.96 0.00 0.00 -0.01 0.00 0.00 57.90 56.93 2k46 n TYR 61 Cb 0.12 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 2k46 n TYR 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k46 n GLN 62 N -1.14 0.00 -0.59 -0.72 7.27 0.25 -4.78 117.38 117.67 2k46 n GLN 62 Ca 0.18 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.05 2k46 n GLN 62 Cb 0.72 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.36 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N -1.54 0.51 -4.07 1.69 -2.24 -0.91 -4.71 114.28 103.01 2k46 n THR 63 Ca 0.00 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 2k46 n THR 63 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 2k46 n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2k46 s GLU 64 N -0.44 0.55 0.42 -0.78 4.04 -1.25 -3.87 118.70 117.37 2k46 s GLU 64 Ca 0.27 -0.79 0.05 0.00 0.04 0.00 0.00 54.97 54.53 2k46 s GLU 64 Cb -0.33 -0.30 0.05 0.00 0.02 0.00 0.00 34.13 33.57 2k46 s GLU 64 CO 0.26 0.05 0.39 0.54 -1.84 0.00 0.00 175.26 174.66 2k46 n ARG 65 N 1.37 0.83 -0.66 -4.83 1.74 -1.24 -4.50 116.66 109.37 2k46 n ARG 65 Ca -0.22 -2.52 -0.32 0.00 -0.77 0.00 0.00 57.85 54.02 2k46 n ARG 65 Cb 0.55 0.15 0.18 0.00 -1.02 0.00 0.00 32.46 32.32 2k46 n ARG 65 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2k46 n TYR 66 N -1.61 -1.20 -4.34 -1.55 4.01 -1.26 -4.96 117.16 106.25 2k46 n TYR 66 Ca 0.02 0.12 -0.19 0.00 -0.16 0.00 0.00 57.90 57.69 2k46 n TYR 66 Cb 0.47 -1.69 -0.15 0.00 -0.31 0.00 0.00 39.34 37.66 2k46 n TYR 66 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2k46 s ASN 67 N -2.07 1.06 0.00 7.72 0.01 -1.26 -5.07 114.94 115.33 2k46 s ASN 67 Ca 0.60 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.59 2k46 s ASN 67 Cb -0.18 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.26 2k46 s ASN 67 CO 0.66 0.08 0.00 1.21 -1.51 0.00 0.00 177.10 177.53 2k46 n GLU 68 N 3.13 0.00 -3.49 -0.60 2.13 -1.26 -5.07 120.64 115.48 2k46 n GLU 68 Ca -0.16 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.67 2k46 n GLU 68 Cb 0.55 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.21 2k46 n GLU 68 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2k46 s ASP 69 N 1.00 -0.31 -0.09 4.31 1.47 -1.26 -4.91 116.67 116.87 2k46 s ASP 69 Ca 0.00 0.46 -0.06 0.00 1.18 0.00 0.00 52.55 54.13 2k46 s ASP 69 Cb 0.00 1.24 0.02 0.00 -0.34 0.00 0.00 42.92 43.84 2k46 s ASP 69 CO 0.00 -0.07 0.13 -0.24 0.68 0.00 0.00 175.17 175.67 2k46 n SER 70 N 4.02 -3.92 -3.72 2.11 2.88 -1.26 -5.04 113.62 108.69 2k46 n SER 70 Ca -0.13 1.17 -0.14 0.00 -1.33 0.00 0.00 58.87 58.43 2k46 n SER 70 Cb 0.56 -3.44 -0.08 0.00 -0.75 0.00 0.00 64.21 60.49 2k46 n SER 70 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k46 s PHE 71 N -0.34 -0.29 0.04 0.66 -0.71 -1.13 -5.03 117.98 111.19 2k46 s PHE 71 Ca -0.15 0.50 -0.00 0.00 -1.04 0.00 0.00 56.93 56.24 2k46 s PHE 71 Cb 0.01 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.98 2k46 s PHE 71 CO 0.40 -0.41 0.06 0.41 -1.34 0.00 0.00 175.22 174.34 2k46 n GLY 72 N 1.38 2.93 3.28 1.99 0.00 -1.26 -2.71 105.19 110.79 2k46 n GLY 72 Ca -0.20 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 2k46 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k46 s TYR 73 N -5.11 1.63 -0.22 1.61 1.51 -0.84 -4.87 117.35 111.06 2k46 s TYR 73 Ca 0.03 -0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 55.54 2k46 s TYR 73 Cb -0.00 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.97 2k46 s TYR 73 CO 0.02 0.22 0.03 -0.51 -1.11 0.00 0.00 175.55 174.21 2k46 s ASP 74 N -2.38 5.01 -0.67 2.29 1.11 -1.26 -2.58 116.67 118.19 2k46 s ASP 74 Ca 0.10 -0.19 -0.00 0.00 0.18 0.00 0.00 52.55 52.64 2k46 s ASP 74 Cb -0.07 -1.88 0.17 0.00 1.07 0.00 0.00 42.92 42.22 2k46 s ASP 74 CO 0.05 0.03 0.48 -0.63 1.18 0.00 0.00 175.17 176.27 2k46 s ILE 75 N 1.23 3.53 0.25 0.77 1.09 0.16 -4.92 121.20 123.30 2k46 s ILE 75 Ca 0.04 -3.36 -0.31 0.00 -1.10 0.00 0.00 60.65 55.92 2k46 s ILE 75 Cb -0.15 -3.30 -0.13 0.00 -1.06 0.00 0.00 42.46 37.83 2k46 s ILE 75 CO 0.02 -0.92 1.49 -2.65 -0.10 0.00 0.00 174.94 172.79 2k46 n PRO 76 N 3.01 2.30 -4.34 2.79 -0.02 -1.26 -0.19 135.00 137.29 2k46 n PRO 76 Ca 0.11 0.82 -0.22 0.00 -2.02 0.00 0.00 63.50 62.19 2k46 n PRO 76 Cb 0.36 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.20 2k46 n PRO 76 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k46 s ILE 77 N 0.06 1.85 0.00 4.25 1.01 -1.16 -4.89 121.20 122.31 2k46 s ILE 77 Ca 0.68 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 59.38 2k46 s ILE 77 Cb -0.59 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.00 2k46 s ILE 77 CO 0.48 -0.33 0.11 0.29 0.00 0.00 0.00 174.94 175.49 2k46 n LYS 78 N 0.23 0.00 -4.43 2.79 5.02 -1.26 -4.88 118.16 115.63 2k46 n LYS 78 Ca -0.13 -0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 55.84 2k46 n LYS 78 Cb 0.57 -0.33 -0.10 0.00 -0.02 0.00 0.00 35.03 35.16 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k46 s GLU 79 N 0.00 1.69 0.29 1.97 0.41 -1.26 -5.17 118.70 116.62 2k46 s GLU 79 Ca 0.00 -1.97 0.04 0.00 -0.41 0.00 0.00 54.97 52.63 2k46 s GLU 79 Cb 0.00 -0.57 -0.06 0.00 -1.78 0.00 0.00 34.13 31.72 2k46 s GLU 79 CO 0.00 -0.33 0.04 -1.21 -0.49 0.00 0.00 175.26 173.27 2k46 s GLU 80 N -3.85 1.55 0.00 1.61 8.01 -1.26 -5.02 118.70 119.74 2k46 s GLU 80 Ca 0.33 -1.84 0.00 0.00 0.01 0.00 0.00 54.97 53.47 2k46 s GLU 80 Cb 0.06 -0.76 0.00 0.00 -4.31 0.00 0.00 34.13 29.12 2k46 s GLU 80 CO 0.15 -0.17 0.00 0.41 0.01 0.00 0.00 175.26 175.66 2k46 n GLY 81 N -0.60 0.76 3.45 -1.39 0.00 -0.81 -4.88 105.19 101.73 2k46 n GLY 81 Ca -0.03 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 2k46 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 82 N -2.00 2.97 -0.20 1.61 2.02 -1.13 -1.88 118.70 120.09 2k46 s GLU 82 Ca 0.00 -1.06 -0.14 0.00 0.02 0.00 0.00 54.97 53.78 2k46 s GLU 82 Cb 0.00 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.19 2k46 s GLU 82 CO 0.00 -0.79 0.33 0.71 0.02 0.00 0.00 175.26 175.53 2k46 s TYR 83 N 1.68 3.38 -0.25 1.61 1.51 -0.53 -0.16 117.35 124.59 2k46 s TYR 83 Ca 0.05 0.54 -0.04 0.00 -1.01 0.00 0.00 57.07 56.61 2k46 s TYR 83 Cb -0.20 -2.44 0.00 0.00 -0.11 0.00 0.00 41.96 39.21 2k46 s TYR 83 CO 0.10 0.05 -0.01 0.08 -1.11 0.00 0.00 175.55 174.66 2k46 s VAL 84 N 1.09 3.48 -0.56 0.71 1.01 -1.02 -0.20 120.40 124.90 2k46 s VAL 84 Ca 0.16 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 2k46 s VAL 84 Cb -0.14 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.61 2k46 s VAL 84 CO 0.06 0.28 0.86 -0.22 0.00 0.00 0.00 175.10 176.08 2k46 s LEU 85 N 1.46 4.40 -0.12 3.92 0.20 -1.10 -2.66 118.68 124.78 2k46 s LEU 85 Ca 0.04 -0.64 -0.02 0.00 0.69 0.00 0.00 54.13 54.19 2k46 s LEU 85 Cb -0.16 -2.64 -0.03 0.00 -0.43 0.00 0.00 46.19 42.94 2k46 s LEU 85 CO -0.02 -1.18 -0.05 -0.69 -0.29 0.00 0.00 176.35 174.12 2k46 s VAL 86 N 3.61 3.80 -0.22 1.68 1.01 -0.21 -2.27 120.40 127.81 2k46 s VAL 86 Ca 0.24 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 2k46 s VAL 86 Cb -0.15 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.67 2k46 s VAL 86 CO 0.15 0.53 0.58 -1.48 0.00 0.00 0.00 175.10 174.88 2k46 s LEU 87 N -0.07 -0.39 -0.26 3.92 2.34 -1.11 -0.38 118.68 122.73 2k46 s LEU 87 Ca 0.01 1.21 -0.15 0.00 0.06 0.00 0.00 54.13 55.26 2k46 s LEU 87 Cb -0.13 1.97 -0.04 0.00 -0.56 0.00 0.00 46.19 47.43 2k46 s LEU 87 CO 0.03 -0.21 0.37 -0.75 -1.06 0.00 0.00 176.35 174.73 2k46 s LYS 88 N 0.89 4.03 -0.05 1.48 2.47 -1.18 -2.63 119.74 124.75 2k46 s LYS 88 Ca -0.05 0.05 -0.01 0.00 -1.56 0.00 0.00 55.97 54.40 2k46 s LYS 88 Cb -0.05 -3.64 -0.04 0.00 -1.46 0.00 0.00 37.83 32.64 2k46 s LYS 88 CO -0.08 -0.25 0.04 -0.06 0.16 0.00 0.00 175.35 175.17 2k46 s PHE 89 N 1.98 3.24 0.22 4.03 0.08 -0.89 -0.79 117.98 125.85 2k46 s PHE 89 Ca 0.15 0.22 -0.10 0.00 0.12 0.00 0.00 56.93 57.32 2k46 s PHE 89 Cb -0.16 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.51 2k46 s PHE 89 CO 0.10 0.53 0.38 0.00 -0.10 0.00 0.00 175.22 176.12 2k46 s ALA 90 N -1.03 -0.00 -0.29 5.36 0.00 -1.16 -2.36 121.76 122.27 2k46 s ALA 90 Ca 0.17 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 2k46 s ALA 90 Cb -0.12 1.06 0.13 0.00 0.00 0.00 0.00 23.12 24.19 2k46 s ALA 90 CO 0.07 -0.76 0.76 -2.00 0.00 0.00 0.00 175.76 173.83 2k46 s GLU 91 N -4.02 0.53 -0.54 0.00 2.12 -1.26 -2.75 118.70 112.78 2k46 s GLU 91 Ca 0.23 1.19 0.07 0.00 0.36 0.00 0.00 54.97 56.81 2k46 s GLU 91 Cb 0.01 0.54 0.25 0.00 0.26 0.00 0.00 34.13 35.19 2k46 s GLU 91 CO 0.07 -0.16 0.66 1.55 -0.54 0.00 0.00 175.26 176.84 2k46 n VAL 92 N 4.92 1.16 0.04 3.70 3.14 -1.26 -4.86 118.33 125.16 2k46 n VAL 92 Ca -0.14 -4.75 0.00 0.00 -2.96 0.00 0.00 64.34 56.49 2k46 n VAL 92 Cb 0.53 -2.04 0.00 0.00 -1.06 0.00 0.00 33.84 31.26 2k46 n VAL 92 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2k46 n TYR 93 N 1.07 -1.39 -3.06 1.45 4.02 -1.26 -5.06 117.16 112.94 2k46 n TYR 93 Ca 0.26 0.18 -0.18 0.00 -0.01 0.00 0.00 57.90 58.15 2k46 n TYR 93 Cb 0.46 0.78 0.06 0.00 -0.02 0.00 0.00 39.34 40.62 2k46 n TYR 93 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2k46 n PHE 94 N -2.70 -2.29 -2.94 -0.72 3.72 -1.26 -5.11 117.46 106.15 2k46 n PHE 94 Ca 0.00 -2.00 -0.06 0.00 -0.05 0.00 0.00 57.45 55.34 2k46 n PHE 94 Cb 0.00 -0.52 -0.01 0.00 -0.94 0.00 0.00 39.48 38.01 2k46 n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k46 s ALA 95 N -2.66 -1.74 -0.26 4.37 0.00 -1.26 -5.08 121.76 115.12 2k46 s ALA 95 Ca 0.57 -0.52 -0.25 0.00 0.00 0.00 0.00 51.96 51.75 2k46 s ALA 95 Cb -0.05 -2.58 0.11 0.00 0.00 0.00 0.00 23.12 20.60 2k46 s ALA 95 CO 0.36 -2.21 0.93 -1.14 0.00 0.00 0.00 175.76 173.70 2k46 s GLN 96 N 1.01 0.62 0.46 0.00 2.00 -1.26 -5.17 119.66 117.33 2k46 s GLN 96 Ca 0.27 0.68 -0.01 0.00 -2.00 0.00 0.00 55.36 54.30 2k46 s GLN 96 Cb -0.01 0.30 -0.01 0.00 0.80 0.00 0.00 33.01 34.09 2k46 s GLN 96 CO -0.07 -0.09 0.70 0.45 -0.50 0.00 0.00 175.29 175.79 2k46 s SER 97 N 0.15 5.91 -1.09 6.67 0.15 -1.26 -4.01 113.70 120.22 2k46 s SER 97 Ca 0.02 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2k46 s SER 97 Cb -0.05 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2k46 s SER 97 CO -0.03 -0.69 0.00 1.67 1.20 0.00 0.00 173.24 175.39 2k46 n GLN 98 N -2.14 -2.07 0.00 5.44 -0.06 -1.26 -4.65 117.38 112.64 2k46 n GLN 98 Ca 0.01 0.61 0.00 0.00 -2.00 0.00 0.00 57.00 55.62 2k46 n GLN 98 Cb 0.57 -5.15 0.00 0.00 -4.06 0.00 0.00 30.24 21.60 2k46 n GLN 98 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2k46 n GLN 99 N -2.63 0.00 -3.59 3.69 -0.06 -1.26 -4.94 117.38 108.58 2k46 n GLN 99 Ca -0.14 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.48 2k46 n GLN 99 Cb 0.57 -0.52 -0.06 0.00 -4.06 0.00 0.00 30.24 26.18 2k46 n GLN 99 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2k46 s LYS 100 N -1.48 3.32 0.10 3.69 3.01 -1.26 -5.04 119.74 122.09 2k46 s LYS 100 Ca 0.00 -3.11 0.05 0.00 -1.01 0.00 0.00 55.97 51.90 2k46 s LYS 100 Cb 0.00 -4.04 -0.04 0.00 -1.01 0.00 0.00 37.83 32.74 2k46 s LYS 100 CO 0.00 -1.25 -0.02 0.14 0.51 0.00 0.00 175.35 174.73 2k46 s VAL 101 N -1.06 3.90 0.29 3.17 -7.23 -1.26 -4.38 120.40 113.83 2k46 s VAL 101 Ca 0.26 -1.05 0.04 0.00 -1.81 0.00 0.00 61.98 59.41 2k46 s VAL 101 Cb -0.10 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 2k46 s VAL 101 CO -0.10 0.11 0.14 0.49 -0.31 0.00 0.00 175.10 175.42 2k46 n PHE 102 N 0.55 -0.10 -4.38 2.82 3.72 -0.73 -3.82 117.46 115.51 2k46 n PHE 102 Ca -0.11 -1.99 -0.20 0.00 -0.05 0.00 0.00 57.45 55.10 2k46 n PHE 102 Cb 0.52 0.06 -0.15 0.00 -0.94 0.00 0.00 39.48 38.97 2k46 n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k46 s ASP 103 N -2.83 1.15 -0.06 4.37 1.01 -0.86 0.15 116.67 119.60 2k46 s ASP 103 Ca 0.20 -0.18 0.02 0.00 0.71 0.00 0.00 52.55 53.30 2k46 s ASP 103 Cb 0.01 -0.23 0.02 0.00 1.01 0.00 0.00 42.92 43.73 2k46 s ASP 103 CO 0.14 0.09 -0.09 -0.69 0.21 0.00 0.00 175.17 174.83 2k46 s VAL 104 N 0.01 0.85 0.02 -1.27 1.01 -0.51 -2.37 120.40 118.15 2k46 s VAL 104 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2k46 s VAL 104 Cb -0.06 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2k46 s VAL 104 CO 0.00 0.29 -0.04 -0.13 0.00 0.00 0.00 175.10 175.23 2k46 s ARG 105 N 0.79 0.34 -0.19 2.72 0.52 -0.95 -1.80 118.95 120.38 2k46 s ARG 105 Ca -0.13 -0.61 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 2k46 s ARG 105 Cb -0.15 0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.34 2k46 s ARG 105 CO 0.02 -0.03 -0.13 0.54 0.02 0.00 0.00 175.30 175.72 2k46 s VAL 106 N -1.36 2.69 -1.24 3.52 0.11 0.59 -2.39 120.40 122.32 2k46 s VAL 106 Ca -0.14 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 2k46 s VAL 106 Cb -0.09 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.58 2k46 s VAL 106 CO -0.01 0.49 0.00 -3.20 -3.33 0.00 0.00 175.10 169.05 2k46 n ASN 107 N 4.58 -3.98 0.00 3.54 5.15 0.29 -0.30 115.26 124.54 2k46 n ASN 107 Ca -0.20 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2k46 n ASN 107 Cb 0.51 -3.46 0.00 0.00 -0.53 0.00 0.00 39.78 36.29 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k46 n GLY 108 N -0.65 0.88 3.17 8.20 0.00 -1.22 -4.75 105.19 110.83 2k46 n GLY 108 Ca -0.15 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2k46 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 109 N -2.00 3.20 0.00 1.61 3.76 0.59 -5.05 115.29 117.40 2k46 s HIS 109 Ca 0.00 -1.81 -0.30 0.00 -0.15 0.00 0.00 55.06 52.80 2k46 s HIS 109 Cb 0.00 -2.08 -0.06 0.00 1.11 0.00 0.00 32.58 31.55 2k46 s HIS 109 CO 0.00 -0.79 1.59 0.95 -0.85 0.00 0.00 174.74 175.64 2k46 s THR 110 N 1.26 3.42 0.00 1.30 -4.23 -1.26 -0.30 115.64 115.83 2k46 s THR 110 Ca -0.04 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 2k46 s THR 110 Cb -0.19 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.19 2k46 s THR 110 CO -0.02 -0.03 0.00 0.52 -0.54 0.00 0.00 174.62 174.55 2k46 n VAL 111 N 5.01 0.00 -3.77 2.29 0.31 -0.74 -4.92 118.33 116.51 2k46 n VAL 111 Ca 0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.19 2k46 n VAL 111 Cb 0.42 -0.51 -0.13 0.00 -0.91 0.00 0.00 33.84 32.71 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -2.00 1.61 0.16 2.52 1.01 -1.13 -5.06 120.40 117.52 2k46 s VAL 112 Ca 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 61.98 59.38 2k46 s VAL 112 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2k46 s VAL 112 CO 0.00 -0.85 0.32 -1.59 0.00 0.00 0.00 175.10 172.97 2k46 s LYS 113 N 0.34 3.47 -1.12 2.72 -2.85 -1.26 -1.42 119.74 119.61 2k46 s LYS 113 Ca 0.17 -0.51 -0.01 0.00 -1.00 0.00 0.00 55.97 54.62 2k46 s LYS 113 Cb -0.24 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 2k46 s LYS 113 CO -0.01 0.48 0.16 -0.25 0.10 0.00 0.00 175.35 175.83 2k46 n ASP 114 N -0.57 -4.38 -4.53 0.03 8.00 0.40 -4.84 116.55 110.67 2k46 n ASP 114 Ca -0.06 -0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.01 2k46 n ASP 114 Cb 0.54 -3.43 -0.10 0.00 -0.02 0.00 0.00 41.12 38.11 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2k46 n LEU 115 N -2.28 1.19 -4.30 0.64 0.00 0.65 -4.26 117.00 108.64 2k46 n LEU 115 Ca -0.13 -0.34 -0.44 0.00 0.00 0.00 0.00 56.01 55.10 2k46 n LEU 115 Cb 0.61 -1.26 -0.00 0.00 0.00 0.00 0.00 43.42 42.77 2k46 n LEU 115 CO 0.24 -1.34 0.79 -0.90 0.00 0.00 0.00 177.39 176.18 2k46 n ASP 116 N 13.31 5.51 -0.16 1.96 5.75 -1.26 -1.78 116.55 139.87 2k46 n ASP 116 Ca 0.52 -3.07 -0.02 0.00 -0.01 0.00 0.00 54.79 52.20 2k46 n ASP 116 Cb 0.31 -1.35 0.06 0.00 -1.03 0.00 0.00 41.12 39.10 2k46 n ASP 116 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2k46 h ILE 117 N 3.65 0.56 -1.01 2.12 2.04 -1.88 -1.03 117.51 121.96 2k46 h ILE 117 Ca 0.18 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 66.08 2k46 h ILE 117 Cb 0.85 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2k46 h ILE 117 CO 1.03 0.01 0.65 0.15 0.00 0.00 0.00 178.15 180.00 2k46 h PHE 118 N 0.08 1.21 0.00 1.37 3.57 -1.87 -1.55 116.94 119.76 2k46 h PHE 118 Ca 0.26 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.69 2k46 h PHE 118 Cb 0.40 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2k46 h PHE 118 CO -0.35 0.64 -0.46 0.22 -2.23 0.00 0.00 178.31 176.12 2k46 h ASP 119 N 1.19 0.00 0.46 0.41 3.58 -1.53 0.17 116.42 120.70 2k46 h ASP 119 Ca 0.43 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.86 2k46 h ASP 119 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2k46 h ASP 119 CO -0.17 0.46 -0.22 0.03 -2.88 0.00 0.00 179.24 176.46 2k46 h ARG 120 N 0.00 -0.60 0.05 0.28 2.47 -0.33 -3.40 114.38 112.85 2k46 h ARG 120 Ca -0.00 0.04 -0.38 0.00 -1.26 0.00 0.00 59.98 58.38 2k46 h ARG 120 Cb 0.95 0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 29.36 2k46 h ARG 120 CO 0.06 -0.35 -2.26 1.33 0.56 0.00 0.00 179.97 179.31 2k46 n VAL 121 N -5.20 1.62 0.00 2.04 0.24 -1.03 -5.07 118.33 110.93 2k46 n VAL 121 Ca -0.09 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 2k46 n VAL 121 Cb 0.27 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k46 n GLY 122 N 2.11 1.01 3.63 7.63 0.00 0.59 -5.00 105.19 115.15 2k46 n GLY 122 Ca -0.40 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2k46 n GLY 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k46 s HIS 123 N 0.00 1.78 -0.57 1.61 5.65 -1.26 -4.79 115.29 117.71 2k46 s HIS 123 Ca 0.00 1.41 -0.26 0.00 0.25 0.00 0.00 55.06 56.45 2k46 s HIS 123 Cb 0.00 -3.19 -0.09 0.00 -1.18 0.00 0.00 32.58 28.11 2k46 s HIS 123 CO 0.00 -3.01 2.44 -1.13 -0.65 0.00 0.00 174.74 172.39 2k46 n SER 124 N -4.34 2.05 0.00 9.88 3.41 -1.26 -4.81 113.62 118.55 2k46 n SER 124 Ca 0.07 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 2k46 n SER 124 Cb 0.54 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k46 n THR 125 N 8.03 0.00 -4.28 6.66 -2.24 -1.26 -4.28 114.28 116.91 2k46 n THR 125 Ca 0.41 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.85 2k46 n THR 125 Cb 0.49 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 2k46 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 s ALA 126 N -1.77 3.23 0.05 6.98 0.00 -1.26 -4.76 121.76 124.23 2k46 s ALA 126 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.21 2k46 s ALA 126 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2k46 s ALA 126 CO 0.00 0.35 -0.01 -1.58 0.00 0.00 0.00 175.76 174.52 2k46 s HIS 127 N -0.12 2.99 -0.04 0.00 2.46 -0.99 -4.95 115.29 114.64 2k46 s HIS 127 Ca 0.04 -0.00 -0.01 0.00 0.47 0.00 0.00 55.06 55.56 2k46 s HIS 127 Cb -0.13 -1.58 0.03 0.00 -0.13 0.00 0.00 32.58 30.78 2k46 s HIS 127 CO 0.02 0.46 0.06 0.16 -2.47 0.00 0.00 174.74 172.96 2k46 s ASP 128 N -1.97 0.59 -0.07 9.88 -4.77 -1.26 -2.08 116.67 116.98 2k46 s ASP 128 Ca 0.23 0.09 0.04 0.00 -3.30 0.00 0.00 52.55 49.61 2k46 s ASP 128 Cb -0.12 -0.07 -0.02 0.00 -1.09 0.00 0.00 42.92 41.63 2k46 s ASP 128 CO 0.14 -0.19 -0.19 -1.61 0.70 0.00 0.00 175.17 174.02 2k46 s GLU 129 N 1.65 2.71 -0.05 2.11 0.41 -1.08 -5.03 118.70 119.43 2k46 s GLU 129 Ca -0.02 -0.79 0.03 0.00 -0.41 0.00 0.00 54.97 53.78 2k46 s GLU 129 Cb -0.12 -2.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 2k46 s GLU 129 CO -0.03 0.43 -0.13 0.42 -0.49 0.00 0.00 175.26 175.45 2k46 s ILE 130 N -0.24 1.14 -0.37 -1.63 1.01 -1.26 -2.75 121.20 117.09 2k46 s ILE 130 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2k46 s ILE 130 Cb -0.13 -1.01 0.13 0.00 0.01 0.00 0.00 42.46 41.46 2k46 s ILE 130 CO 0.03 0.34 0.20 -0.63 0.00 0.00 0.00 174.94 174.88 2k46 s ILE 131 N 0.31 0.67 0.36 2.92 1.09 -0.96 -5.00 121.20 120.59 2k46 s ILE 131 Ca -0.07 -1.87 -0.28 0.00 -1.10 0.00 0.00 60.65 57.32 2k46 s ILE 131 Cb -0.12 -1.49 -0.11 0.00 -1.06 0.00 0.00 42.46 39.68 2k46 s ILE 131 CO 0.02 -0.89 1.41 -2.84 -0.10 0.00 0.00 174.94 172.55 2k46 s PRO 132 N 1.00 4.19 0.13 2.79 0.02 -1.26 -2.71 135.00 139.15 2k46 s PRO 132 Ca 0.16 2.43 0.04 0.00 0.02 0.00 0.00 61.00 63.64 2k46 s PRO 132 Cb -0.22 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 2k46 s PRO 132 CO -0.06 -0.41 -0.10 0.42 -0.33 0.00 0.00 177.00 176.52 2k46 s ILE 133 N -1.13 1.04 -0.19 2.83 1.01 0.72 -4.48 121.20 121.01 2k46 s ILE 133 Ca 0.51 -1.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.20 2k46 s ILE 133 Cb -0.44 -1.71 0.06 0.00 0.01 0.00 0.00 42.46 40.38 2k46 s ILE 133 CO 0.59 -0.72 0.03 -0.55 0.00 0.00 0.00 174.94 174.28 2k46 s SER 134 N -2.98 2.83 -0.17 3.58 0.15 -1.09 -1.45 113.70 114.56 2k46 s SER 134 Ca 0.13 -0.77 -0.03 0.00 0.70 0.00 0.00 55.95 55.98 2k46 s SER 134 Cb 0.02 -0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 63.70 2k46 s SER 134 CO -0.00 -0.29 -0.06 -0.63 1.20 0.00 0.00 173.24 173.45 2k46 s ILE 135 N 1.85 3.54 -0.11 6.45 1.01 -0.79 -1.74 121.20 131.40 2k46 s ILE 135 Ca -0.01 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 2k46 s ILE 135 Cb -0.17 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.78 2k46 s ILE 135 CO -0.08 0.48 0.36 -0.54 0.00 0.00 0.00 174.94 175.16 2k46 s LYS 136 N 0.73 0.50 -1.89 2.79 1.02 -0.83 -1.93 119.74 120.13 2k46 s LYS 136 Ca -0.03 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.32 2k46 s LYS 136 Cb -0.15 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 2k46 s LYS 136 CO 0.02 -0.09 0.00 1.63 -0.92 0.00 0.00 175.35 175.99 2k46 n LYS 137 N 2.49 -1.42 -0.67 1.68 4.76 -1.26 -1.15 118.16 122.58 2k46 n LYS 137 Ca -0.15 1.12 0.00 0.00 -2.87 0.00 0.00 58.31 56.41 2k46 n LYS 137 Cb 0.57 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.29 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k46 n GLY 138 N -0.41 0.66 3.74 0.72 0.00 -1.26 -5.06 105.19 103.57 2k46 n GLY 138 Ca -0.18 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 2k46 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 s LYS 139 N -0.44 2.40 0.03 1.61 1.02 -0.30 -2.90 119.74 121.15 2k46 s LYS 139 Ca 0.00 -1.52 0.07 0.00 0.02 0.00 0.00 55.97 54.55 2k46 s LYS 139 Cb 0.00 -2.20 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 2k46 s LYS 139 CO 0.00 0.13 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.17 2k46 s LEU 140 N -3.85 2.13 -0.17 3.17 0.20 0.13 -1.97 118.68 118.32 2k46 s LEU 140 Ca 0.38 -0.49 -0.01 0.00 0.69 0.00 0.00 54.13 54.70 2k46 s LEU 140 Cb -0.03 -1.02 0.05 0.00 -0.43 0.00 0.00 46.19 44.76 2k46 s LEU 140 CO 0.23 0.19 -0.03 -0.55 -0.29 0.00 0.00 176.35 175.90 2k46 s SER 141 N -0.99 2.81 -0.53 3.68 0.15 -0.71 -1.66 113.70 116.46 2k46 s SER 141 Ca 0.08 -0.68 -0.07 0.00 0.70 0.00 0.00 55.95 55.98 2k46 s SER 141 Cb -0.09 -0.81 0.14 0.00 -1.71 0.00 0.00 66.02 63.55 2k46 s SER 141 CO 0.01 -0.22 0.38 0.54 1.20 0.00 0.00 173.24 175.15 2k46 s VAL 142 N 1.70 4.02 0.00 4.45 0.11 -0.38 -2.69 120.40 127.61 2k46 s VAL 142 Ca 0.00 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 56.87 2k46 s VAL 142 Cb -0.16 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2k46 s VAL 142 CO -0.07 -0.81 0.00 0.00 -3.33 0.00 0.00 175.10 170.89 2k46 n GLN 143 N 4.42 0.00 -0.03 1.54 3.00 -1.26 -1.32 117.38 123.73 2k46 n GLN 143 Ca -0.01 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.99 2k46 n GLN 143 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.66 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k46 n GLY 144 N 0.00 1.02 3.24 1.08 0.00 -1.26 -5.02 105.19 104.24 2k46 n GLY 144 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2k46 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 145 N -0.77 3.11 -0.07 1.61 2.02 -0.43 -5.12 118.70 119.04 2k46 s GLU 145 Ca 0.03 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.15 2k46 s GLU 145 Cb 0.02 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 2k46 s GLU 145 CO 0.00 0.16 0.04 0.54 0.02 0.00 0.00 175.26 176.03 2k46 s VAL 146 N 0.39 4.59 0.27 2.63 0.11 -1.26 -1.25 120.40 125.89 2k46 s VAL 146 Ca -0.16 -0.22 -0.18 0.00 -2.93 0.00 0.00 61.98 58.49 2k46 s VAL 146 Cb -0.17 -2.99 0.01 0.00 -1.53 0.00 0.00 36.38 31.70 2k46 s VAL 146 CO 0.07 0.54 0.63 -0.44 -3.33 0.00 0.00 175.10 172.58 2k46 s SER 147 N -1.12 -0.18 -0.12 3.54 0.01 -0.66 -5.03 113.70 110.15 2k46 s SER 147 Ca 0.16 -0.75 -0.08 0.00 1.31 0.00 0.00 55.95 56.59 2k46 s SER 147 Cb -0.12 0.68 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 2k46 s SER 147 CO 0.05 -1.29 0.16 0.42 0.41 0.00 0.00 173.24 172.99 2k46 s THR 148 N -3.89 5.47 0.30 1.44 -4.23 -1.26 -0.69 115.64 112.78 2k46 s THR 148 Ca 0.16 0.25 -0.27 0.00 -1.18 0.00 0.00 61.69 60.64 2k46 s THR 148 Cb -0.04 -3.43 -0.09 0.00 1.34 0.00 0.00 72.50 70.28 2k46 s THR 148 CO 0.08 0.60 0.98 0.12 -0.54 0.00 0.00 174.62 175.86 2k46 s PHE 149 N -0.90 3.71 -0.32 3.99 5.36 -1.14 -4.76 117.98 123.91 2k46 s PHE 149 Ca 0.15 1.79 0.01 0.00 -0.96 0.00 0.00 56.93 57.92 2k46 s PHE 149 Cb -0.12 -3.01 0.14 0.00 -0.34 0.00 0.00 43.02 39.69 2k46 s PHE 149 CO 0.04 0.08 0.32 -0.08 -1.46 0.00 0.00 175.22 174.12 2k46 s THR 150 N -1.44 -0.36 0.00 0.12 -1.32 -1.26 -4.87 115.64 106.51 2k46 s THR 150 Ca 0.48 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 2k46 s THR 150 Cb -0.23 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2k46 s THR 150 CO 0.29 -0.53 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 2k46 n GLY 151 N 4.87 1.99 3.34 6.08 0.00 -1.26 -4.88 105.19 115.32 2k46 n GLY 151 Ca 0.03 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 2k46 n GLY 151 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k46 n LYS 152 N 0.00 0.67 -3.96 1.61 0.00 -1.26 -3.01 118.16 112.21 2k46 n LYS 152 Ca 0.00 -2.85 -0.35 0.00 -0.00 0.00 0.00 58.31 55.10 2k46 n LYS 152 Cb 0.00 2.69 -0.08 0.00 -0.00 0.00 0.00 35.03 37.64 2k46 n LYS 152 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2k46 s LEU 153 N 0.00 4.01 -0.42 -5.58 2.96 0.73 -4.87 118.68 115.52 2k46 s LEU 153 Ca 0.30 0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 2k46 s LEU 153 Cb -0.01 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.79 2k46 s LEU 153 CO 0.22 0.26 0.23 -0.44 -1.32 0.00 0.00 176.35 175.29 2k46 s SER 154 N -0.12 5.36 -0.57 3.68 0.01 -1.26 -0.67 113.70 120.14 2k46 s SER 154 Ca 0.08 -1.91 -0.14 0.00 1.31 0.00 0.00 55.95 55.29 2k46 s SER 154 Cb -0.12 -1.87 0.14 0.00 0.21 0.00 0.00 66.02 64.38 2k46 s SER 154 CO 0.01 -0.56 0.51 -0.69 0.41 0.00 0.00 173.24 172.92 2k46 s VAL 155 N 1.22 5.04 0.15 3.43 1.01 -1.06 0.10 120.40 130.29 2k46 s VAL 155 Ca 0.06 -1.73 0.08 0.00 0.00 0.00 0.00 61.98 60.39 2k46 s VAL 155 Cb -0.23 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2k46 s VAL 155 CO -0.03 -0.88 -0.17 -1.83 0.00 0.00 0.00 175.10 172.20 2k46 s GLU 156 N 1.30 1.20 0.05 2.72 1.03 -1.00 -1.99 118.70 122.00 2k46 s GLU 156 Ca 0.06 -1.37 0.05 0.00 0.03 0.00 0.00 54.97 53.74 2k46 s GLU 156 Cb -0.26 -1.19 -0.02 0.00 -0.80 0.00 0.00 34.13 31.86 2k46 s GLU 156 CO 0.00 0.24 -0.13 -0.59 -1.33 0.00 0.00 175.26 173.45 2k46 s PHE 157 N -2.13 1.15 0.02 4.83 -0.12 -1.10 -2.25 117.98 118.39 2k46 s PHE 157 Ca 0.14 -0.38 0.07 0.00 -0.05 0.00 0.00 56.93 56.71 2k46 s PHE 157 Cb -0.05 -0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 41.63 2k46 s PHE 157 CO 0.05 0.03 -0.21 0.08 -0.05 0.00 0.00 175.22 175.12 2k46 s VAL 158 N -0.97 2.55 0.26 -2.49 1.01 -1.00 -2.82 120.40 116.94 2k46 s VAL 158 Ca -0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 61.98 60.64 2k46 s VAL 158 Cb -0.08 -2.02 -0.08 0.00 0.00 0.00 0.00 36.38 34.19 2k46 s VAL 158 CO 0.01 0.40 0.70 -1.59 0.00 0.00 0.00 175.10 174.63 2k46 s LYS 159 N -1.20 4.07 0.00 2.72 0.00 -1.26 -2.04 119.74 122.03 2k46 s LYS 159 Ca 0.13 0.69 0.26 0.00 0.00 0.00 0.00 55.97 57.04 2k46 s LYS 159 Cb -0.10 -2.65 0.63 0.00 0.00 0.00 0.00 37.83 35.70 2k46 s LYS 159 CO 0.03 0.28 1.50 0.41 0.00 0.00 0.00 175.35 177.57 2k46 n GLY 160 N 0.14 -1.23 2.09 0.59 0.00 -1.25 -4.80 105.19 100.74 2k46 n GLY 160 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2k46 n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k46 n TYR 161 N -1.43 -3.01 0.10 1.61 9.36 -1.26 -5.09 117.16 117.43 2k46 n TYR 161 Ca 0.06 0.71 0.00 0.00 3.32 0.00 0.00 57.90 61.99 2k46 n TYR 161 Cb 0.34 1.87 0.00 0.00 -0.63 0.00 0.00 39.34 40.92 2k46 n TYR 161 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 2k46 n TYR 162 N -3.04 -2.18 -2.00 2.98 4.19 -1.26 -5.12 117.16 110.72 2k46 n TYR 162 Ca 0.00 0.47 -0.36 0.00 3.31 0.00 0.00 57.90 61.32 2k46 n TYR 162 Cb 0.00 1.19 0.03 0.00 0.49 0.00 0.00 39.34 41.06 2k46 n TYR 162 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2k46 s ASP 163 N -3.53 5.18 0.51 2.98 1.01 -1.26 -4.80 116.67 116.76 2k46 s ASP 163 Ca 0.00 2.37 0.05 0.00 0.71 0.00 0.00 52.55 55.68 2k46 s ASP 163 Cb 0.00 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.38 2k46 s ASP 163 CO 0.00 -1.60 0.41 0.59 0.21 0.00 0.00 175.17 174.79 2k46 n ASN 164 N -1.63 2.58 0.03 0.27 4.13 -1.26 -4.43 115.26 114.95 2k46 n ASN 164 Ca 0.13 -2.73 0.01 0.00 1.68 0.00 0.00 54.58 53.68 2k46 n ASN 164 Cb 0.50 -0.07 0.05 0.00 -1.54 0.00 0.00 39.78 38.72 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2k46 n PRO 165 N -1.73 0.01 0.00 3.52 -0.02 -1.26 -4.80 135.00 130.72 2k46 n PRO 165 Ca -0.00 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2k46 n PRO 165 Cb 0.58 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2k46 n PRO 165 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2k46 n LYS 166 N -1.36 0.00 -4.16 -0.52 3.00 -1.26 -4.52 118.16 109.34 2k46 n LYS 166 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 2k46 n LYS 166 Cb 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.26 2k46 n LYS 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2k46 s VAL 167 N 0.00 4.66 -0.13 3.15 -7.23 -1.11 -4.29 120.40 115.45 2k46 s VAL 167 Ca 0.00 -0.10 -0.01 0.00 -1.81 0.00 0.00 61.98 60.06 2k46 s VAL 167 Cb 0.00 -3.03 0.04 0.00 0.56 0.00 0.00 36.38 33.94 2k46 s VAL 167 CO 0.00 0.55 -0.03 0.00 -0.31 0.00 0.00 175.10 175.31 2k46 n ALA 169 N 4.99 6.06 -0.76 0.00 0.00 0.03 -0.04 120.51 130.80 2k46 n ALA 169 Ca -0.10 -3.32 -0.27 0.00 0.00 0.00 0.00 53.44 49.74 2k46 n ALA 169 Cb 0.49 -1.62 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 2k46 n ALA 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k46 n LEU 170 N -0.98 -0.53 -3.17 0.00 -0.00 0.17 -3.11 117.00 109.38 2k46 n LEU 170 Ca 0.61 0.61 0.03 0.00 -0.00 0.00 0.00 56.01 57.26 2k46 n LEU 170 Cb 0.96 -0.50 -0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2k46 n LEU 170 CO 0.72 -1.48 0.10 0.12 -0.00 0.00 0.00 177.39 176.85 2k46 s PHE 171 N -0.42 -1.83 -0.21 1.96 5.36 0.49 -1.33 117.98 122.00 2k46 s PHE 171 Ca 0.37 0.86 -0.07 0.00 -0.96 0.00 0.00 56.93 57.13 2k46 s PHE 171 Cb -0.53 0.32 -0.03 0.00 -0.34 0.00 0.00 43.02 42.43 2k46 s PHE 171 CO 0.30 -1.11 0.06 -1.50 -1.46 0.00 0.00 175.22 171.50 2k46 s ILE 172 N 2.56 4.49 0.36 3.12 2.07 0.20 -1.05 121.20 132.96 2k46 s ILE 172 Ca 0.12 -0.13 0.09 0.00 -1.41 0.00 0.00 60.65 59.32 2k46 s ILE 172 Cb -0.08 -3.05 -0.07 0.00 0.13 0.00 0.00 42.46 39.39 2k46 s ILE 172 CO -0.21 0.41 -0.07 0.00 -1.91 0.00 0.00 174.94 173.16 2k46 s MET 173 N 0.90 1.85 0.16 3.50 0.00 -1.09 -2.82 119.30 121.80 2k46 s MET 173 Ca 0.03 -1.97 0.11 0.00 0.00 0.00 0.00 55.69 53.86 2k46 s MET 173 Cb -0.14 -1.70 -0.04 0.00 0.00 0.00 0.00 34.83 32.95 2k46 s MET 173 CO 0.02 0.10 -0.24 -1.59 0.00 0.00 0.00 175.02 173.31 2k46 s LYS 174 N -3.63 1.43 0.00 3.16 -2.85 -1.21 -2.45 119.74 114.18 2k46 s LYS 174 Ca 0.33 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 2k46 s LYS 174 Cb 0.04 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 34.02 2k46 s LYS 174 CO 0.17 0.40 0.00 0.41 0.10 0.00 0.00 175.35 176.43 2k46 n GLY 175 N 0.56 2.61 0.00 0.59 0.00 0.78 -4.84 105.19 104.88 2k46 n GLY 175 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2k46 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k46 n THR 176 N 0.00 0.00 -0.08 2.61 -2.24 -0.12 -2.85 114.28 111.60 2k46 n THR 176 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2k46 n THR 176 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 2k46 n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 h ALA 177 N 0.00 0.10 -0.01 6.98 0.00 -1.94 -3.33 119.26 121.07 2k46 h ALA 177 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2k46 h ALA 177 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k46 h ALA 177 CO 0.00 0.32 0.00 -3.47 0.00 0.00 0.00 179.25 176.10 2k46 n ASP 178 N -4.56 0.09 -0.29 0.00 2.03 -1.26 -4.08 116.55 108.48 2k46 n ASP 178 Ca -0.17 -1.47 0.03 0.00 0.52 0.00 0.00 54.79 53.69 2k46 n ASP 178 Cb 0.48 -0.01 0.10 0.00 -0.72 0.00 0.00 41.12 40.97 2k46 n ASP 178 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k46 h ASP 179 N 0.12 -0.78 0.00 1.67 1.82 -1.94 -3.40 116.42 113.92 2k46 h ASP 179 Ca 0.00 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 2k46 h ASP 179 Cb 0.03 0.51 0.00 0.00 0.68 0.00 0.00 39.33 40.55 2k46 h ASP 179 CO 0.00 -0.27 0.00 0.52 -1.61 0.00 0.00 179.24 177.88 2k46 n VAL 180 N -5.53 0.38 -1.93 2.25 0.31 -1.26 -5.06 118.33 107.49 2k46 n VAL 180 Ca 0.12 0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 64.15 2k46 n VAL 180 Cb 0.41 -0.86 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2k46 s PRO 181 N -1.53 4.21 0.47 5.55 0.04 -1.26 -5.00 135.00 137.48 2k46 s PRO 181 Ca 0.00 2.38 -0.06 0.00 0.04 0.00 0.00 61.00 63.36 2k46 s PRO 181 Cb 0.00 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2k46 s PRO 181 CO 0.00 -0.58 0.78 -1.64 0.04 0.00 0.00 177.00 175.60 2k46 s MET 182 N 0.75 3.58 -0.10 4.56 -1.94 -1.26 -4.35 119.30 120.53 2k46 s MET 182 Ca 0.68 0.25 0.01 0.00 -1.71 0.00 0.00 55.69 54.91 2k46 s MET 182 Cb -0.44 -2.38 0.02 0.00 2.01 0.00 0.00 34.83 34.04 2k46 s MET 182 CO 0.35 -0.18 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.55 2k46 s LEU 183 N -4.59 1.49 0.44 -0.03 1.43 -1.26 -5.10 118.68 111.06 2k46 s LEU 183 Ca 0.48 -0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 52.98 2k46 s LEU 183 Cb -0.10 -0.92 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 2k46 s LEU 183 CO 0.43 -0.04 1.44 -1.10 0.23 0.00 0.00 176.35 177.31 2k46 s GLN 184 N 1.21 3.72 -0.09 1.70 -0.21 -1.26 -4.85 119.66 119.89 2k46 s GLN 184 Ca -0.03 2.45 -0.40 0.00 0.02 0.00 0.00 55.36 57.39 2k46 s GLN 184 Cb -0.14 -2.68 -0.18 0.00 1.00 0.00 0.00 33.01 31.01 2k46 s GLN 184 CO -0.03 -0.80 1.37 -2.30 -2.12 0.00 0.00 175.29 171.40 2k46 n PRO 185 N -0.14 0.64 -4.59 2.91 -0.02 -1.26 -4.97 135.00 127.58 2k46 n PRO 185 Ca 0.05 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.45 2k46 n PRO 185 Cb 0.41 -1.82 -0.17 0.00 -0.02 0.00 0.00 33.50 31.91 2k46 n PRO 185 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2k46 s HIS 186 N 1.24 2.36 0.00 6.00 2.46 -1.26 -5.14 115.29 120.95 2k46 s HIS 186 Ca 0.92 -1.16 0.00 0.00 0.47 0.00 0.00 55.06 55.29 2k46 s HIS 186 Cb -1.15 -1.64 0.00 0.00 -0.13 0.00 0.00 32.58 29.66 2k46 s HIS 186 CO 0.58 -0.55 0.00 -0.35 -2.47 0.00 0.00 174.74 171.95 2k46 n PRO 187 N 4.12 1.50 0.00 2.88 -0.04 -1.26 -4.83 135.00 137.38 2k46 n PRO 187 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2k46 n PRO 187 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2k46 n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k46 n GLY 188 N 5.00 2.60 3.85 0.55 0.00 -1.26 -4.64 105.19 111.29 2k46 n GLY 188 Ca 0.00 0.31 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 2k46 n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k46 s LEU 189 N 0.00 3.49 0.00 0.99 1.02 -1.26 -5.35 118.68 117.57 2k46 s LEU 189 Ca 0.00 1.52 0.00 0.00 0.02 0.00 0.00 54.13 55.67 2k46 s LEU 189 Cb 0.00 -4.50 0.00 0.00 0.02 0.00 0.00 46.19 41.71 2k46 s LEU 189 CO 0.00 -0.69 0.00 1.21 0.02 0.00 0.00 176.35 176.89