#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0k s ASP 2 N 0.00 2.74 -0.14 0.00 1.01 -1.26 -5.04 116.67 113.98 3a0k s ASP 2 Ca 0.00 1.30 0.02 0.00 0.71 0.00 0.00 52.55 54.58 3a0k s ASP 2 Cb 0.00 -1.97 0.01 0.00 1.01 0.00 0.00 42.92 41.97 3a0k s ASP 2 CO 0.00 -3.07 -0.21 -0.89 0.21 0.00 0.00 175.17 171.21 3a0k s THR 3 N -2.92 2.18 -0.05 -1.27 2.01 -1.26 -5.01 115.64 109.32 3a0k s THR 3 Ca 0.65 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.75 3a0k s THR 3 Cb -0.19 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.44 3a0k s THR 3 CO 0.58 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 174.26 3a0k s ILE 4 N 0.77 1.35 -0.04 1.82 -1.09 -1.26 -3.05 121.20 119.70 3a0k s ILE 4 Ca -0.08 -0.65 0.05 0.00 -2.23 0.00 0.00 60.65 57.75 3a0k s ILE 4 Cb -0.16 -1.17 -0.01 0.00 -1.58 0.00 0.00 42.46 39.54 3a0k s ILE 4 CO -0.01 0.39 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.20 3a0k s VAL 5 N 0.21 1.68 0.07 2.92 1.01 -0.07 -0.06 120.40 126.15 3a0k s VAL 5 Ca -0.07 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3a0k s VAL 5 Cb -0.13 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.84 3a0k s VAL 5 CO 0.03 0.47 0.22 0.00 0.00 0.00 0.00 175.10 175.83 3a0k s ALA 6 N -0.18 -0.39 -0.27 5.51 0.00 0.19 -0.30 121.76 126.32 3a0k s ALA 6 Ca -0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 3a0k s ALA 6 Cb -0.11 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 3a0k s ALA 6 CO 0.02 -0.45 0.06 0.08 0.00 0.00 0.00 175.76 175.47 3a0k s VAL 7 N -3.22 4.03 -0.13 0.00 1.01 0.67 0.40 120.40 123.15 3a0k s VAL 7 Ca -0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 3a0k s VAL 7 Cb 0.02 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3a0k s VAL 7 CO -0.08 0.21 0.19 -1.83 0.00 0.00 0.00 175.10 173.59 3a0k s GLU 8 N 1.54 3.82 -0.53 2.72 -1.05 0.16 -1.06 118.70 124.30 3a0k s GLU 8 Ca 0.04 -0.05 -0.07 0.00 -0.15 0.00 0.00 54.97 54.74 3a0k s GLU 8 Cb -0.16 -3.29 0.14 0.00 -0.44 0.00 0.00 34.13 30.37 3a0k s GLU 8 CO 0.02 0.56 0.38 -0.51 0.95 0.00 0.00 175.26 176.66 3a0k s LEU 9 N -0.44 5.63 -0.41 1.83 1.02 0.27 -0.85 118.68 125.72 3a0k s LEU 9 Ca 0.14 -2.21 -0.09 0.00 0.02 0.00 0.00 54.13 52.00 3a0k s LEU 9 Cb -0.12 -1.96 0.07 0.00 0.02 0.00 0.00 46.19 44.19 3a0k s LEU 9 CO 0.04 -0.59 0.24 -0.62 0.02 0.00 0.00 176.35 175.44 3a0k s ASP 10 N 2.06 5.61 0.36 2.29 -1.08 0.55 -1.11 116.67 125.35 3a0k s ASP 10 Ca 0.10 -1.46 0.18 0.00 -0.52 0.00 0.00 52.55 50.85 3a0k s ASP 10 Cb -0.23 -1.98 0.56 0.00 -1.46 0.00 0.00 42.92 39.82 3a0k s ASP 10 CO -0.03 -0.51 1.68 0.28 0.52 0.00 0.00 175.17 177.11 3a0k h SER 11 N 8.38 0.00 -3.30 -0.34 0.02 -1.35 0.16 113.55 117.13 3a0k h SER 11 Ca -0.23 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.13 3a0k h SER 11 Cb 1.08 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.28 3a0k h SER 11 CO 0.74 0.40 -0.84 -0.47 -1.14 0.00 0.00 176.83 175.52 3a0k s TYR 12 N -3.47 2.03 -0.63 3.45 6.14 -1.20 -4.28 117.35 119.41 3a0k s TYR 12 Ca 0.01 -0.92 -0.26 0.00 0.64 0.00 0.00 57.07 56.54 3a0k s TYR 12 Cb 0.10 -1.44 0.04 0.00 0.42 0.00 0.00 41.96 41.08 3a0k s TYR 12 CO 0.70 -0.45 1.14 -1.25 0.64 0.00 0.00 175.55 176.33 3a0k s PRO 13 N 0.83 3.35 -1.14 4.97 0.04 -1.26 -4.90 135.00 136.88 3a0k s PRO 13 Ca -0.10 -0.10 -0.13 0.00 0.04 0.00 0.00 61.00 60.71 3a0k s PRO 13 Cb -0.16 -4.09 0.19 0.00 0.04 0.00 0.00 34.50 30.49 3a0k s PRO 13 CO 0.01 -1.78 1.30 -0.80 0.04 0.00 0.00 177.00 175.77 3a0k s ASN 14 N 3.22 7.07 0.57 6.66 -0.87 -1.26 -4.80 114.94 125.52 3a0k s ASN 14 Ca 0.36 -3.02 0.36 0.00 -1.57 0.00 0.00 52.86 48.99 3a0k s ASN 14 Cb -0.10 -2.35 1.66 0.00 -0.02 0.00 0.00 41.25 40.44 3a0k s ASN 14 CO 0.20 -0.67 2.08 0.71 -2.57 0.00 0.00 177.10 176.85 3a0k h THR 15 N 4.57 0.00 -0.93 1.60 1.35 -1.85 -1.00 112.91 116.65 3a0k h THR 15 Ca 0.26 -0.34 0.21 0.00 -0.55 0.00 0.00 66.41 65.99 3a0k h THR 15 Cb 0.90 1.32 -0.12 0.00 -1.73 0.00 0.00 68.15 68.52 3a0k h THR 15 CO 1.16 0.00 0.48 -0.78 -0.25 0.00 0.00 175.52 176.13 3a0k h ASP 16 N 0.00 0.52 -0.39 5.36 -0.00 -1.87 -2.47 116.42 117.57 3a0k h ASP 16 Ca 0.00 0.13 -0.28 0.00 -0.00 0.00 0.00 57.03 56.88 3a0k h ASP 16 Cb 0.35 0.06 -0.21 0.00 -0.00 0.00 0.00 39.33 39.52 3a0k h ASP 16 CO 0.00 0.11 -0.61 2.30 -0.00 0.00 0.00 179.24 181.04 3a0k n ILE 17 N -4.93 2.40 -0.48 2.25 -5.35 -0.43 -4.96 119.36 107.86 3a0k n ILE 17 Ca 0.22 -3.68 0.00 0.00 -0.27 0.00 0.00 62.75 59.02 3a0k n ILE 17 Cb 0.62 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 3a0k n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a0k n GLY 18 N -0.92 0.75 3.78 3.28 0.00 -0.93 -4.67 105.19 106.47 3a0k n GLY 18 Ca 0.32 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 3a0k n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a0k s ASP 19 N -2.63 6.06 1.02 1.61 1.01 -0.92 -4.83 116.67 117.99 3a0k s ASP 19 Ca 0.00 2.12 -0.12 0.00 0.71 0.00 0.00 52.55 55.26 3a0k s ASP 19 Cb 0.00 -2.58 0.20 0.00 1.01 0.00 0.00 42.92 41.55 3a0k s ASP 19 CO 0.00 -0.98 1.08 -2.16 0.21 0.00 0.00 175.17 173.31 3a0k s PRO 20 N -3.10 0.23 0.00 8.23 0.04 -1.26 -4.15 135.00 134.99 3a0k s PRO 20 Ca 0.68 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.65 3a0k s PRO 20 Cb -0.22 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3a0k s PRO 20 CO 0.26 -2.97 0.69 0.43 0.04 0.00 0.00 177.00 175.45 3a0k n SER 21 N -4.40 1.80 -4.04 6.66 7.64 -1.26 -4.56 113.62 115.46 3a0k n SER 21 Ca 0.06 -1.94 -0.10 0.00 1.01 0.00 0.00 58.87 57.90 3a0k n SER 21 Cb 0.54 -0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 3a0k n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3a0k s TYR 22 N -0.56 0.58 0.57 1.43 -0.85 -1.26 -4.85 117.35 112.40 3a0k s TYR 22 Ca 0.00 -0.90 -0.21 0.00 -0.52 0.00 0.00 57.07 55.44 3a0k s TYR 22 Cb 0.00 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 3a0k s TYR 22 CO 0.00 -0.84 1.31 -2.14 -1.52 0.00 0.00 175.55 172.36 3a0k s PRO 23 N -4.04 3.04 0.19 -3.49 0.02 -1.26 -4.51 135.00 124.95 3a0k s PRO 23 Ca 0.26 2.11 -0.21 0.00 0.02 0.00 0.00 61.00 63.17 3a0k s PRO 23 Cb 0.02 -2.14 0.05 0.00 0.02 0.00 0.00 34.50 32.45 3a0k s PRO 23 CO 0.08 -1.23 0.60 -3.38 -0.33 0.00 0.00 177.00 172.74 3a0k s HIS 24 N -1.38 -0.38 0.27 6.54 -3.43 0.05 -1.12 115.29 115.85 3a0k s HIS 24 Ca 0.74 0.08 0.09 0.00 -0.80 0.00 0.00 55.06 55.17 3a0k s HIS 24 Cb -0.38 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.28 3a0k s HIS 24 CO 0.43 -0.93 0.06 0.96 -2.00 0.00 0.00 174.74 173.26 3a0k s ILE 25 N -3.81 3.62 0.10 -5.38 -4.36 -0.37 -0.33 121.20 110.66 3a0k s ILE 25 Ca 0.05 -1.78 -0.18 0.00 -0.26 0.00 0.00 60.65 58.48 3a0k s ILE 25 Cb -0.02 -2.98 0.04 0.00 1.25 0.00 0.00 42.46 40.75 3a0k s ILE 25 CO -0.07 -0.35 0.45 -0.83 0.24 0.00 0.00 174.94 174.38 3a0k s GLY 26 N -3.73 -0.34 -0.17 6.27 0.00 -0.03 -0.38 107.32 108.92 3a0k s GLY 26 Ca 0.32 0.21 -0.02 0.00 0.00 0.00 0.00 44.72 45.23 3a0k s GLY 26 CO 0.21 -0.07 -0.10 -0.42 0.00 0.00 0.00 173.10 172.72 3a0k s ILE 27 N -3.28 3.10 -0.17 0.90 1.01 -0.01 -0.67 121.20 122.08 3a0k s ILE 27 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 3a0k s ILE 27 Cb 0.01 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3a0k s ILE 27 CO -0.08 0.48 -0.15 -1.81 0.00 0.00 0.00 174.94 173.38 3a0k s ASP 28 N 0.93 3.58 -0.31 3.58 1.01 0.16 -0.10 116.67 125.52 3a0k s ASP 28 Ca -0.02 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.74 3a0k s ASP 28 Cb -0.15 -1.56 0.10 0.00 1.01 0.00 0.00 42.92 42.32 3a0k s ASP 28 CO -0.00 0.04 0.06 -0.63 0.21 0.00 0.00 175.17 174.84 3a0k s ILE 29 N 1.08 1.60 -0.49 0.77 -1.09 -1.26 0.57 121.20 122.38 3a0k s ILE 29 Ca -0.00 -1.81 0.00 0.00 -2.23 0.00 0.00 60.65 56.60 3a0k s ILE 29 Cb -0.14 -2.15 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 3a0k s ILE 29 CO -0.05 -0.57 0.00 0.29 -1.23 0.00 0.00 174.94 173.38 3a0k n LYS 30 N 4.55 -1.32 -3.61 2.79 5.02 0.92 -4.93 118.16 121.58 3a0k n LYS 30 Ca -0.00 0.56 -0.15 0.00 -2.02 0.00 0.00 58.31 56.70 3a0k n LYS 30 Cb 0.42 -4.66 -0.06 0.00 -0.02 0.00 0.00 35.03 30.70 3a0k n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a0k s SER 31 N -2.25 -0.43 0.41 4.39 0.15 -1.26 -4.94 113.70 109.76 3a0k s SER 31 Ca 0.00 0.32 0.28 0.00 0.70 0.00 0.00 55.95 57.25 3a0k s SER 31 Cb 0.00 0.46 1.06 0.00 -1.71 0.00 0.00 66.02 65.83 3a0k s SER 31 CO 0.00 -0.61 1.83 -0.29 1.20 0.00 0.00 173.24 175.37 3a0k h ILE 32 N 3.15 0.00 -3.30 6.45 6.09 -1.83 -3.41 117.51 124.66 3a0k h ILE 32 Ca -0.29 -0.48 -0.59 0.00 -1.37 0.00 0.00 64.86 62.13 3a0k h ILE 32 Cb 1.18 1.39 -0.11 0.00 0.47 0.00 0.00 36.82 39.75 3a0k h ILE 32 CO 0.40 0.00 0.67 -0.13 -3.07 0.00 0.00 178.15 176.02 3a0k s ARG 33 N -3.44 3.42 0.41 2.19 0.52 -1.26 -4.93 118.95 115.86 3a0k s ARG 33 Ca 0.04 -0.05 -0.26 0.00 -0.52 0.00 0.00 55.73 54.94 3a0k s ARG 33 Cb 0.09 -4.02 -0.09 0.00 0.52 0.00 0.00 34.95 31.45 3a0k s ARG 33 CO 0.52 -1.48 1.35 -1.12 0.02 0.00 0.00 175.30 174.59 3a0k s SER 34 N 2.75 6.21 0.42 0.23 0.01 -1.26 -4.77 113.70 117.28 3a0k s SER 34 Ca 0.35 2.76 0.22 0.00 1.31 0.00 0.00 55.95 60.59 3a0k s SER 34 Cb -0.11 -2.65 0.82 0.00 0.21 0.00 0.00 66.02 64.29 3a0k s SER 34 CO 0.22 -0.93 1.78 0.11 0.41 0.00 0.00 173.24 174.84 3a0k h LYS 35 N 2.63 0.00 -2.53 12.44 1.79 -0.85 -3.44 116.57 126.61 3a0k h LYS 35 Ca -0.50 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.88 3a0k h LYS 35 Cb 1.25 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.69 3a0k h LYS 35 CO 0.62 0.27 -0.09 -1.54 -1.08 0.00 0.00 179.45 177.64 3a0k s SER 36 N -6.27 -0.46 0.11 0.86 1.04 -1.21 -4.99 113.70 102.77 3a0k s SER 36 Ca 0.01 0.66 -0.01 0.00 0.48 0.00 0.00 55.95 57.09 3a0k s SER 36 Cb 0.10 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 3a0k s SER 36 CO 0.65 -0.37 0.02 0.42 0.98 0.00 0.00 173.24 174.94 3a0k s THR 37 N -0.60 0.20 0.01 2.02 -4.23 -1.26 -0.83 115.64 110.95 3a0k s THR 37 Ca -0.07 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 3a0k s THR 37 Cb -0.03 -1.87 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 3a0k s THR 37 CO 0.04 -0.65 -0.03 0.00 -0.54 0.00 0.00 174.62 173.44 3a0k s ALA 38 N -3.97 0.19 0.33 3.99 0.00 0.48 -4.97 121.76 117.81 3a0k s ALA 38 Ca 0.18 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 3a0k s ALA 38 Cb 0.07 0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.11 3a0k s ALA 38 CO -0.02 -0.03 1.54 0.50 0.00 0.00 0.00 175.76 177.75 3a0k s ARG 39 N -0.65 4.13 -0.22 0.00 3.52 -1.26 -1.24 118.95 123.22 3a0k s ARG 39 Ca -0.06 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 3a0k s ARG 39 Cb -0.05 -3.01 0.03 0.00 -1.56 0.00 0.00 34.95 30.37 3a0k s ARG 39 CO -0.00 -0.57 -0.14 -0.46 -0.81 0.00 0.00 175.30 173.32 3a0k s TRP 40 N -0.47 2.97 -1.32 5.12 -0.00 -0.27 -4.75 118.94 120.21 3a0k s TRP 40 Ca 0.59 -1.72 -0.13 0.00 -0.00 0.00 0.00 56.10 54.83 3a0k s TRP 40 Cb -0.47 -1.97 0.11 0.00 -0.00 0.00 0.00 33.47 31.15 3a0k s TRP 40 CO 0.54 -0.79 1.87 0.09 -0.00 0.00 0.00 176.95 178.66 3a0k n ASN 41 N 4.60 4.74 -4.76 5.86 5.03 -1.26 -4.37 115.26 125.09 3a0k n ASN 41 Ca -0.18 -2.97 -0.39 0.00 0.87 0.00 0.00 54.58 51.91 3a0k n ASN 41 Cb 0.48 -1.60 0.02 0.00 -1.02 0.00 0.00 39.78 37.66 3a0k n ASN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a0k s MET 42 N 2.13 3.57 -0.21 3.52 0.23 -1.26 -5.00 119.30 122.28 3a0k s MET 42 Ca 0.45 2.24 -0.00 0.00 -1.03 0.00 0.00 55.69 57.35 3a0k s MET 42 Cb 0.07 -2.52 0.06 0.00 -1.53 0.00 0.00 34.83 30.91 3a0k s MET 42 CO -0.01 -0.85 -0.03 -0.65 -2.03 0.00 0.00 175.02 171.45 3a0k s GLN 43 N -2.58 1.38 0.61 3.16 -0.21 -1.26 -5.12 119.66 115.64 3a0k s GLN 43 Ca 0.64 -0.77 -0.16 0.00 0.02 0.00 0.00 55.36 55.09 3a0k s GLN 43 Cb -0.40 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 3a0k s GLN 43 CO 0.50 -0.57 1.09 0.95 -2.12 0.00 0.00 175.29 175.14 3a0k s THR 44 N 1.55 3.48 0.00 -0.19 -4.23 -1.26 -3.17 115.64 111.82 3a0k s THR 44 Ca -0.03 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 3a0k s THR 44 Cb -0.18 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.42 3a0k s THR 44 CO -0.07 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 3a0k n GLY 45 N -0.62 0.81 3.27 3.99 0.00 0.85 -4.97 105.19 108.52 3a0k n GLY 45 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3a0k n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a0k s LYS 46 N -0.18 1.94 0.04 1.61 1.02 -1.19 -5.01 119.74 117.96 3a0k s LYS 46 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 3a0k s LYS 46 Cb 0.00 -1.87 -0.06 0.00 -0.52 0.00 0.00 37.83 35.38 3a0k s LYS 46 CO 0.00 0.51 1.34 0.08 -0.92 0.00 0.00 175.35 176.36 3a0k s VAL 47 N -0.55 3.71 0.33 3.17 1.01 -1.26 -4.48 120.40 122.33 3a0k s VAL 47 Ca 0.09 1.16 0.07 0.00 0.00 0.00 0.00 61.98 63.30 3a0k s VAL 47 Cb -0.09 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3a0k s VAL 47 CO -0.01 0.04 0.35 -0.83 0.00 0.00 0.00 175.10 174.65 3a0k s GLY 48 N 1.50 1.67 -0.05 4.51 0.00 0.85 -4.53 107.32 111.28 3a0k s GLY 48 Ca 0.62 -1.56 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3a0k s GLY 48 CO 0.28 -1.49 -0.11 -1.59 0.00 0.00 0.00 173.10 170.19 3a0k s THR 49 N -2.24 0.96 -0.09 0.90 2.01 0.12 -1.08 115.64 116.23 3a0k s THR 49 Ca 0.42 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.01 3a0k s THR 49 Cb -0.07 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 3a0k s THR 49 CO 0.28 0.31 -0.10 0.00 -0.69 0.00 0.00 174.62 174.41 3a0k s ALA 50 N 0.47 2.79 -0.07 7.40 0.00 0.11 -0.24 121.76 132.23 3a0k s ALA 50 Ca -0.09 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 50.99 3a0k s ALA 50 Cb -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.82 3a0k s ALA 50 CO 0.02 0.45 -0.18 -1.01 0.00 0.00 0.00 175.76 175.03 3a0k s HIS 51 N -0.36 1.94 -0.03 0.00 3.76 -0.13 -0.89 115.29 119.57 3a0k s HIS 51 Ca 0.04 -0.68 0.03 0.00 -0.15 0.00 0.00 55.06 54.30 3a0k s HIS 51 Cb -0.12 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.24 3a0k s HIS 51 CO 0.02 -0.28 -0.12 0.42 -0.85 0.00 0.00 174.74 173.93 3a0k s ILE 52 N 0.30 1.06 0.02 0.60 1.01 0.96 -1.13 121.20 124.03 3a0k s ILE 52 Ca -0.11 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 3a0k s ILE 52 Cb -0.15 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.39 3a0k s ILE 52 CO 0.05 0.32 0.18 -0.94 0.00 0.00 0.00 174.94 174.55 3a0k s SER 53 N 0.15 0.02 -0.10 3.58 1.04 -0.30 0.49 113.70 118.57 3a0k s SER 53 Ca -0.04 -0.28 -0.22 0.00 0.48 0.00 0.00 55.95 55.90 3a0k s SER 53 Cb -0.10 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.33 3a0k s SER 53 CO 0.01 -0.49 0.52 -0.47 0.98 0.00 0.00 173.24 173.80 3a0k s TYR 54 N -2.08 -0.51 0.03 5.02 5.04 0.36 -1.06 117.35 124.16 3a0k s TYR 54 Ca -0.09 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 3a0k s TYR 54 Cb -0.03 0.24 -0.02 0.00 0.35 0.00 0.00 41.96 42.49 3a0k s TYR 54 CO -0.01 -0.42 -0.04 0.54 -1.34 0.00 0.00 175.55 174.28 3a0k s ASN 55 N -0.61 0.43 0.00 4.32 2.20 -1.26 -1.05 114.94 118.96 3a0k s ASN 55 Ca -0.07 -0.60 0.25 0.00 -0.94 0.00 0.00 52.86 51.49 3a0k s ASN 55 Cb -0.03 0.10 1.11 0.00 -2.00 0.00 0.00 41.25 40.44 3a0k s ASN 55 CO 0.05 -0.33 1.81 -1.54 -2.94 0.00 0.00 177.10 174.14 3a0k n SER 56 N 1.28 0.00 -0.07 3.54 3.41 0.11 0.10 113.62 122.00 3a0k n SER 56 Ca -0.22 0.37 -0.10 0.00 -0.26 0.00 0.00 58.87 58.67 3a0k n SER 56 Cb 0.56 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 3a0k n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3a0k h VAL 57 N 0.00 1.06 -0.42 -3.33 2.07 -1.90 -3.35 116.25 110.39 3a0k h VAL 57 Ca 0.00 -1.85 -0.10 0.00 0.82 0.00 0.00 66.70 65.57 3a0k h VAL 57 Cb 0.39 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3a0k h VAL 57 CO 0.00 0.36 -0.14 0.00 0.02 0.00 0.00 177.57 177.82 3a0k h ALA 58 N -0.41 0.96 -4.29 1.67 0.00 -1.94 -3.46 119.26 111.79 3a0k h ALA 58 Ca -0.04 -0.33 -0.35 0.00 0.00 0.00 0.00 54.91 54.19 3a0k h ALA 58 Cb 0.71 -0.17 0.07 0.00 0.00 0.00 0.00 17.79 18.40 3a0k h ALA 58 CO -0.02 0.61 -0.55 1.63 0.00 0.00 0.00 179.25 180.92 3a0k n LYS 59 N -4.15 -5.03 -4.07 0.00 5.02 0.12 -4.91 118.16 105.14 3a0k n LYS 59 Ca 0.01 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.75 3a0k n LYS 59 Cb 0.38 -5.42 -0.15 0.00 -0.02 0.00 0.00 35.03 29.82 3a0k n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3a0k s ARG 60 N -5.71 2.22 -0.21 1.97 3.52 -1.25 -0.42 118.95 119.07 3a0k s ARG 60 Ca 0.33 -1.36 -0.22 0.00 -0.13 0.00 0.00 55.73 54.35 3a0k s ARG 60 Cb -0.15 -2.90 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 3a0k s ARG 60 CO 0.41 -0.58 0.71 -1.17 -0.81 0.00 0.00 175.30 173.86 3a0k s LEU 61 N 1.10 4.12 0.16 -0.88 2.96 0.23 -4.30 118.68 122.07 3a0k s LEU 61 Ca -0.08 0.92 0.08 0.00 -0.22 0.00 0.00 54.13 54.83 3a0k s LEU 61 Cb -0.20 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 3a0k s LEU 61 CO -0.05 -0.36 -0.17 0.42 -1.32 0.00 0.00 176.35 174.87 3a0k s THR 62 N 2.24 1.72 -0.03 3.68 -4.23 -0.22 0.17 115.64 118.97 3a0k s THR 62 Ca 0.31 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 3a0k s THR 62 Cb -0.16 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.87 3a0k s THR 62 CO 0.10 -0.38 0.16 0.00 -0.54 0.00 0.00 174.62 173.95 3a0k s ALA 63 N -2.22 -0.38 0.03 3.99 0.00 0.71 -1.15 121.76 122.74 3a0k s ALA 63 Ca 0.16 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.33 3a0k s ALA 63 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3a0k s ALA 63 CO 0.06 -0.14 -0.10 0.08 0.00 0.00 0.00 175.76 175.65 3a0k s VAL 64 N -0.63 0.78 -0.04 0.00 1.01 -0.28 -0.70 120.40 120.53 3a0k s VAL 64 Ca -0.07 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3a0k s VAL 64 Cb -0.04 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 3a0k s VAL 64 CO 0.01 -0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.22 3a0k s VAL 65 N -0.76 1.31 0.06 2.92 1.01 0.73 -0.96 120.40 124.71 3a0k s VAL 65 Ca -0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3a0k s VAL 65 Cb -0.07 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3a0k s VAL 65 CO 0.01 0.38 0.08 -0.94 0.00 0.00 0.00 175.10 174.63 3a0k s SER 66 N 0.14 0.29 0.08 3.32 1.04 0.66 -1.01 113.70 118.22 3a0k s SER 66 Ca -0.05 -0.78 0.09 0.00 0.48 0.00 0.00 55.95 55.68 3a0k s SER 66 Cb -0.12 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 3a0k s SER 66 CO 0.02 -0.64 -0.23 -0.31 0.98 0.00 0.00 173.24 173.07 3a0k s TYR 67 N -3.68 1.98 0.13 5.02 2.02 -1.26 0.13 117.35 121.69 3a0k s TYR 67 Ca 0.04 -0.40 -0.35 0.00 -0.37 0.00 0.00 57.07 56.00 3a0k s TYR 67 Cb 0.05 -1.12 -0.15 0.00 -0.40 0.00 0.00 41.96 40.34 3a0k s TYR 67 CO -0.10 0.19 1.51 -1.13 -1.57 0.00 0.00 175.55 174.45 3a0k n SER 68 N 1.37 2.66 0.00 2.29 3.41 -1.26 -1.67 113.62 120.43 3a0k n SER 68 Ca -0.18 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 3a0k n SER 68 Cb 0.53 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 3a0k n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a0k n GLY 69 N 3.16 0.83 3.27 5.00 0.00 -1.26 -5.02 105.19 111.18 3a0k n GLY 69 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 3a0k n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a0k s SER 70 N -1.80 2.06 0.35 1.61 0.01 -0.67 -5.12 113.70 110.14 3a0k s SER 70 Ca 0.00 -0.96 -0.28 0.00 1.31 0.00 0.00 55.95 56.01 3a0k s SER 70 Cb 0.00 -0.06 -0.10 0.00 0.21 0.00 0.00 66.02 66.07 3a0k s SER 70 CO 0.00 -0.24 1.37 -0.44 0.41 0.00 0.00 173.24 174.34 3a0k s SER 71 N -3.02 6.60 0.62 2.44 0.01 -1.26 -4.56 113.70 114.52 3a0k s SER 71 Ca 0.16 2.82 -0.09 0.00 1.31 0.00 0.00 55.95 60.15 3a0k s SER 71 Cb -0.00 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 3a0k s SER 71 CO 0.03 -0.67 0.99 -0.94 0.41 0.00 0.00 173.24 173.06 3a0k s SER 72 N -0.38 5.76 -0.07 2.44 1.04 -1.26 -4.74 113.70 116.49 3a0k s SER 72 Ca 0.51 1.05 0.03 0.00 0.48 0.00 0.00 55.95 58.01 3a0k s SER 72 Cb -0.42 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 3a0k s SER 72 CO 0.56 -1.06 -0.16 -0.89 0.98 0.00 0.00 173.24 172.67 3a0k s THR 73 N -3.13 2.85 0.08 2.02 2.01 -0.18 -4.93 115.64 114.35 3a0k s THR 73 Ca 0.55 -0.78 0.08 0.00 0.31 0.00 0.00 61.69 61.85 3a0k s THR 73 Cb -0.11 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 3a0k s THR 73 CO 0.49 0.57 -0.21 0.42 -0.69 0.00 0.00 174.62 175.20 3a0k s THR 74 N -0.31 1.73 -0.01 -0.82 -4.23 -1.26 -0.20 115.64 110.55 3a0k s THR 74 Ca 0.02 -1.42 -0.09 0.00 -1.18 0.00 0.00 61.69 59.02 3a0k s THR 74 Cb -0.13 -1.55 0.01 0.00 1.34 0.00 0.00 72.50 72.18 3a0k s THR 74 CO 0.03 0.06 0.18 0.54 -0.54 0.00 0.00 174.62 174.89 3a0k s VAL 75 N -1.01 0.07 0.07 2.29 0.11 0.12 -4.64 120.40 117.42 3a0k s VAL 75 Ca 0.07 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.49 3a0k s VAL 75 Cb -0.10 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3a0k s VAL 75 CO 0.03 -0.32 0.07 -0.44 -3.33 0.00 0.00 175.10 171.11 3a0k s SER 76 N -1.25 0.32 -0.20 3.54 0.01 -1.26 -0.21 113.70 114.66 3a0k s SER 76 Ca -0.13 -0.86 -0.14 0.00 1.31 0.00 0.00 55.95 56.13 3a0k s SER 76 Cb -0.07 0.27 0.06 0.00 0.21 0.00 0.00 66.02 66.49 3a0k s SER 76 CO 0.02 -0.66 0.49 -0.47 0.41 0.00 0.00 173.24 173.03 3a0k s TYR 77 N -3.90 -0.65 -0.19 2.43 5.04 0.13 -4.85 117.35 115.36 3a0k s TYR 77 Ca 0.07 1.45 -0.25 0.00 -2.44 0.00 0.00 57.07 55.90 3a0k s TYR 77 Cb 0.07 0.29 -0.01 0.00 0.35 0.00 0.00 41.96 42.65 3a0k s TYR 77 CO -0.10 -0.34 0.81 -0.51 -1.34 0.00 0.00 175.55 174.08 3a0k s ASP 78 N 0.93 6.90 -0.24 4.32 1.01 -1.26 -0.60 116.67 127.72 3a0k s ASP 78 Ca -0.05 1.11 -0.19 0.00 0.71 0.00 0.00 52.55 54.13 3a0k s ASP 78 Cb -0.06 -2.44 0.07 0.00 1.01 0.00 0.00 42.92 41.50 3a0k s ASP 78 CO -0.08 -0.42 0.63 0.54 0.21 0.00 0.00 175.17 176.05 3a0k s VAL 79 N 2.30 -0.00 -0.69 -1.27 0.11 0.44 -4.96 120.40 116.33 3a0k s VAL 79 Ca 0.37 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 59.20 3a0k s VAL 79 Cb -0.16 -0.89 0.07 0.00 -1.53 0.00 0.00 36.38 33.87 3a0k s VAL 79 CO 0.11 0.00 1.03 -0.62 -3.33 0.00 0.00 175.10 172.29 3a0k s ASP 80 N 0.81 6.20 0.42 3.54 -1.08 -1.26 -4.34 116.67 120.96 3a0k s ASP 80 Ca -0.04 -0.99 0.18 0.00 -0.52 0.00 0.00 52.55 51.19 3a0k s ASP 80 Cb -0.05 -2.44 0.92 0.00 -1.46 0.00 0.00 42.92 39.89 3a0k s ASP 80 CO -0.06 -1.48 1.87 -0.07 0.52 0.00 0.00 175.17 175.95 3a0k h LEU 81 N 11.55 0.00 -2.07 -1.34 -0.00 -1.95 -1.19 115.31 120.32 3a0k h LEU 81 Ca -0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.63 3a0k h LEU 81 Cb 1.06 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.72 3a0k h LEU 81 CO 1.20 0.30 -0.01 0.00 -0.00 0.00 0.00 178.44 179.92 3a0k h THR 82 N 0.00 0.04 -0.02 0.22 1.03 -1.89 0.31 112.91 112.60 3a0k h THR 82 Ca -0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.07 3a0k h THR 82 Cb 0.63 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 3a0k h THR 82 CO 0.04 0.01 0.00 0.59 -0.01 0.00 0.00 175.52 176.15 3a0k n ASN 83 N -3.13 1.67 -0.08 0.00 4.13 -0.45 -4.23 115.26 113.18 3a0k n ASN 83 Ca -0.01 -1.56 -0.15 0.00 1.68 0.00 0.00 54.58 54.54 3a0k n ASN 83 Cb 0.21 -0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.40 3a0k n ASN 83 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3a0k n VAL 84 N 0.31 0.85 -3.68 2.41 0.31 -0.23 -5.04 118.33 113.26 3a0k n VAL 84 Ca 0.18 -0.24 -0.26 0.00 -0.01 0.00 0.00 64.34 64.02 3a0k n VAL 84 Cb 0.38 -1.58 -0.03 0.00 -0.91 0.00 0.00 33.84 31.71 3a0k n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3a0k s LEU 85 N -6.65 4.20 1.07 7.52 1.43 0.91 -4.98 118.68 122.18 3a0k s LEU 85 Ca -0.21 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 3a0k s LEU 85 Cb 0.08 -3.15 0.22 0.00 0.03 0.00 0.00 46.19 43.37 3a0k s LEU 85 CO 0.28 -0.09 1.08 -2.16 0.23 0.00 0.00 176.35 175.70 3a0k s PRO 86 N -3.57 -0.12 0.40 1.29 0.04 -1.26 -4.69 135.00 127.08 3a0k s PRO 86 Ca 0.38 0.47 0.10 0.00 0.04 0.00 0.00 61.00 61.99 3a0k s PRO 86 Cb -0.10 -1.68 0.81 0.00 0.04 0.00 0.00 34.50 33.57 3a0k s PRO 86 CO 0.30 -3.09 1.92 0.93 0.04 0.00 0.00 177.00 177.10 3a0k h GLU 87 N -2.15 0.19 -5.57 4.56 4.39 -1.91 -3.40 114.58 110.69 3a0k h GLU 87 Ca -0.55 -0.04 -0.67 0.00 0.34 0.00 0.00 59.36 58.44 3a0k h GLU 87 Cb 1.33 -0.03 -0.27 0.00 -0.10 0.00 0.00 28.75 29.68 3a0k h GLU 87 CO 0.54 0.35 -0.79 -1.58 -1.16 0.00 0.00 179.01 176.36 3a0k s TRP 88 N -4.69 2.72 0.27 4.33 0.52 -1.26 0.33 118.94 121.16 3a0k s TRP 88 Ca -0.05 -0.62 0.02 0.00 0.02 0.00 0.00 56.10 55.47 3a0k s TRP 88 Cb 0.15 -1.76 -0.05 0.00 -1.15 0.00 0.00 33.47 30.66 3a0k s TRP 88 CO 0.73 -0.17 0.09 0.14 0.02 0.00 0.00 176.95 177.76 3a0k s VAL 89 N 0.11 0.68 0.25 4.03 -7.23 -0.34 -4.04 120.40 113.85 3a0k s VAL 89 Ca -0.07 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.20 3a0k s VAL 89 Cb -0.15 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 3a0k s VAL 89 CO 0.05 0.00 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.60 3a0k s ARG 90 N -4.00 1.95 0.16 4.82 0.52 0.69 -0.01 118.95 123.08 3a0k s ARG 90 Ca 0.37 -1.52 0.11 0.00 -0.52 0.00 0.00 55.73 54.17 3a0k s ARG 90 Cb 0.08 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 3a0k s ARG 90 CO 0.14 0.37 -0.22 0.14 0.02 0.00 0.00 175.30 175.75 3a0k s VAL 91 N -2.20 2.52 0.24 3.52 -7.23 -1.26 -1.34 120.40 114.64 3a0k s VAL 91 Ca 0.29 -1.80 -0.21 0.00 -1.81 0.00 0.00 61.98 58.44 3a0k s VAL 91 Cb -0.07 -2.17 0.06 0.00 0.56 0.00 0.00 36.38 34.76 3a0k s VAL 91 CO 0.16 -0.01 0.89 -0.83 -0.31 0.00 0.00 175.10 175.01 3a0k s GLY 92 N -2.39 0.02 0.02 2.32 0.00 0.45 -0.36 107.32 107.39 3a0k s GLY 92 Ca 0.18 -0.27 0.08 0.00 0.00 0.00 0.00 44.72 44.71 3a0k s GLY 92 CO 0.09 0.49 -0.23 1.08 0.00 0.00 0.00 173.10 174.53 3a0k s LEU 93 N -3.08 2.33 0.24 0.66 1.43 0.16 -0.20 118.68 120.22 3a0k s LEU 93 Ca 0.15 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3a0k s LEU 93 Cb -0.03 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 3a0k s LEU 93 CO 0.06 0.28 -0.07 -0.94 0.23 0.00 0.00 176.35 175.90 3a0k s SER 94 N -1.14 2.44 0.01 2.29 1.04 -0.01 -0.90 113.70 117.44 3a0k s SER 94 Ca 0.12 -1.13 -0.29 0.00 0.48 0.00 0.00 55.95 55.13 3a0k s SER 94 Cb -0.10 -0.11 0.07 0.00 0.10 0.00 0.00 66.02 65.98 3a0k s SER 94 CO 0.02 -0.33 0.66 0.00 0.98 0.00 0.00 173.24 174.57 3a0k s ALA 95 N -3.11 -1.72 0.08 5.32 0.00 -0.05 0.12 121.76 122.41 3a0k s ALA 95 Ca 0.26 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 3a0k s ALA 95 Cb 0.03 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 3a0k s ALA 95 CO 0.09 -0.49 0.07 0.95 0.00 0.00 0.00 175.76 176.38 3a0k s THR 96 N -1.97 0.17 0.31 0.00 -4.23 -0.48 -1.54 115.64 107.91 3a0k s THR 96 Ca -0.07 -1.59 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 3a0k s THR 96 Cb -0.00 -1.54 -0.06 0.00 1.34 0.00 0.00 72.50 72.23 3a0k s THR 96 CO 0.03 -0.78 -0.00 0.42 -0.54 0.00 0.00 174.62 173.75 3a0k s THR 97 N -3.92 1.45 0.00 3.99 -4.23 0.83 -0.90 115.64 112.86 3a0k s THR 97 Ca 0.09 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3a0k s THR 97 Cb 0.07 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.27 3a0k s THR 97 CO -0.08 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 3a0k n GLY 98 N -0.65 4.27 0.25 3.99 0.00 -1.26 -2.56 105.19 109.23 3a0k n GLY 98 Ca -0.04 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3a0k n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a0k h LEU 99 N 0.00 0.39 -9.87 0.99 5.85 -1.96 0.89 115.31 111.60 3a0k h LEU 99 Ca 0.00 -0.08 -0.54 0.00 0.84 0.00 0.00 57.88 58.10 3a0k h LEU 99 Cb 0.00 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 3a0k h LEU 99 CO 0.00 0.52 -0.51 -0.31 -0.34 0.00 0.00 178.44 177.80 3a0k s TYR 100 N -4.81 2.71 0.24 1.25 2.02 -1.26 -4.93 117.35 112.58 3a0k s TYR 100 Ca -0.07 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.14 3a0k s TYR 100 Cb 0.15 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.97 3a0k s TYR 100 CO 0.76 0.27 0.38 -1.59 -1.57 0.00 0.00 175.55 173.80 3a0k s LYS 101 N -3.89 1.48 -0.01 -0.62 -2.85 -1.17 -4.18 119.74 108.51 3a0k s LYS 101 Ca 0.39 -1.40 -0.29 0.00 -1.00 0.00 0.00 55.97 53.67 3a0k s LYS 101 Cb -0.02 0.41 0.10 0.00 -2.06 0.00 0.00 37.83 36.26 3a0k s LYS 101 CO 0.23 -0.58 1.03 -1.83 0.10 0.00 0.00 175.35 174.30 3a0k s GLU 102 N -3.98 0.74 0.51 1.78 -1.05 -0.76 -2.81 118.70 113.12 3a0k s GLU 102 Ca 0.28 -0.34 -0.16 0.00 -0.15 0.00 0.00 54.97 54.60 3a0k s GLU 102 Cb 0.02 0.30 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 3a0k s GLU 102 CO 0.11 -0.33 0.97 0.95 0.95 0.00 0.00 175.26 177.91 3a0k s THR 103 N -2.92 4.55 -0.53 1.83 -4.23 0.90 -4.71 115.64 110.54 3a0k s THR 103 Ca 0.09 1.18 0.06 0.00 -1.18 0.00 0.00 61.69 61.84 3a0k s THR 103 Cb -0.00 -3.72 0.23 0.00 1.34 0.00 0.00 72.50 70.35 3a0k s THR 103 CO -0.05 -0.68 0.59 0.59 -0.54 0.00 0.00 174.62 174.53 3a0k n ASN 104 N -1.56 1.87 -4.69 3.99 3.02 -1.26 -3.95 115.26 112.68 3a0k n ASN 104 Ca 0.06 -3.02 -0.36 0.00 -0.03 0.00 0.00 54.58 51.24 3a0k n ASN 104 Cb 0.54 -0.66 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 3a0k n ASN 104 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3a0k s THR 105 N -1.60 5.38 -0.20 3.41 2.01 -0.82 -1.56 115.64 122.27 3a0k s THR 105 Ca 0.36 0.20 -0.06 0.00 0.31 0.00 0.00 61.69 62.50 3a0k s THR 105 Cb 0.12 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3a0k s THR 105 CO -0.09 0.39 0.02 -0.63 -0.69 0.00 0.00 174.62 173.62 3a0k s ILE 106 N 0.75 4.16 -0.12 1.82 -1.09 0.27 -0.22 121.20 126.77 3a0k s ILE 106 Ca 0.08 -0.25 0.17 0.00 -2.23 0.00 0.00 60.65 58.42 3a0k s ILE 106 Cb -0.12 -2.88 -0.22 0.00 -1.58 0.00 0.00 42.46 37.66 3a0k s ILE 106 CO 0.02 0.43 0.51 0.18 -1.23 0.00 0.00 174.94 174.84 3a0k n LEU 107 N 4.13 0.51 -3.58 2.97 4.32 0.11 -0.84 117.00 124.62 3a0k n LEU 107 Ca -0.17 0.23 -0.11 0.00 -0.02 0.00 0.00 56.01 55.95 3a0k n LEU 107 Cb 0.52 0.23 -0.03 0.00 -1.62 0.00 0.00 43.42 42.51 3a0k n LEU 107 CO 0.32 0.31 0.28 -0.94 -1.22 0.00 0.00 177.39 176.14 3a0k s SER 108 N -5.65 -0.36 -0.28 -1.43 1.04 -1.21 -3.95 113.70 101.86 3a0k s SER 108 Ca -0.06 -0.24 -0.18 0.00 0.48 0.00 0.00 55.95 55.95 3a0k s SER 108 Cb 0.08 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.83 3a0k s SER 108 CO 0.83 -0.94 0.71 0.86 0.98 0.00 0.00 173.24 175.68 3a0k s TRP 109 N -3.80 -0.97 0.12 5.02 -0.00 -0.22 -1.60 118.94 117.49 3a0k s TRP 109 Ca 0.04 2.04 0.03 0.00 -0.00 0.00 0.00 56.10 58.20 3a0k s TRP 109 Cb 0.00 0.53 -0.04 0.00 -0.00 0.00 0.00 33.47 33.96 3a0k s TRP 109 CO -0.10 -0.48 -0.09 -1.54 -0.00 0.00 0.00 176.95 174.74 3a0k s SER 110 N 1.29 1.52 -0.13 5.86 1.04 0.18 0.07 113.70 123.52 3a0k s SER 110 Ca -0.07 -0.99 -0.21 0.00 0.48 0.00 0.00 55.95 55.16 3a0k s SER 110 Cb -0.05 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.15 3a0k s SER 110 CO -0.14 -0.37 0.53 0.12 0.98 0.00 0.00 173.24 174.36 3a0k s PHE 111 N -3.34 -0.53 -0.06 5.02 5.36 0.45 -0.80 117.98 124.08 3a0k s PHE 111 Ca 0.14 1.17 -0.04 0.00 -0.96 0.00 0.00 56.93 57.24 3a0k s PHE 111 Cb 0.03 0.23 0.03 0.00 -0.34 0.00 0.00 43.02 42.96 3a0k s PHE 111 CO -0.01 -0.38 0.14 0.99 -1.46 0.00 0.00 175.22 174.50 3a0k s THR 112 N -0.34 -0.02 0.14 0.12 2.01 0.52 -1.12 115.64 116.94 3a0k s THR 112 Ca -0.05 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.09 3a0k s THR 112 Cb -0.03 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 3a0k s THR 112 CO 0.03 0.03 -0.13 -0.94 -0.69 0.00 0.00 174.62 172.93 3a0k s SER 113 N 0.59 1.97 0.00 3.53 1.04 0.10 -0.64 113.70 120.30 3a0k s SER 113 Ca -0.04 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 55.48 3a0k s SER 113 Cb -0.06 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 3a0k s SER 113 CO -0.03 -0.20 0.03 -0.54 0.98 0.00 0.00 173.24 173.48 3a0k s LYS 114 N -3.07 0.21 -0.15 4.02 -0.14 -0.04 -0.94 119.74 119.63 3a0k s LYS 114 Ca 0.12 -0.26 -0.04 0.00 -1.36 0.00 0.00 55.97 54.43 3a0k s LYS 114 Cb -0.02 0.08 0.05 0.00 -1.68 0.00 0.00 37.83 36.26 3a0k s LYS 114 CO 0.03 -0.04 0.06 -1.17 -0.76 0.00 0.00 175.35 173.47 3a0k s LEU 115 N -0.75 0.57 -0.17 3.17 0.20 -0.47 -0.82 118.68 120.40 3a0k s LEU 115 Ca -0.08 -0.54 -0.03 0.00 0.69 0.00 0.00 54.13 54.16 3a0k s LEU 115 Cb -0.05 -0.34 -0.02 0.00 -0.43 0.00 0.00 46.19 45.35 3a0k s LEU 115 CO -0.00 -0.31 -0.05 -0.75 -0.29 0.00 0.00 176.35 174.94 3a0k s LYS 116 N 2.05 3.56 0.23 1.98 2.47 0.16 -0.31 119.74 129.88 3a0k s LYS 116 Ca 0.02 -0.57 0.07 0.00 -1.56 0.00 0.00 55.97 53.93 3a0k s LYS 116 Cb -0.15 -2.89 -0.04 0.00 -1.46 0.00 0.00 37.83 33.28 3a0k s LYS 116 CO -0.08 0.14 0.10 0.99 0.16 0.00 0.00 175.35 176.66 3a0k s THR 117 N 0.61 4.07 0.18 3.43 2.01 -1.26 0.16 115.64 124.85 3a0k s THR 117 Ca -0.03 -1.48 0.01 0.00 0.31 0.00 0.00 61.69 60.49 3a0k s THR 117 Cb -0.15 -3.15 -0.11 0.00 0.01 0.00 0.00 72.50 69.10 3a0k s THR 117 CO 0.03 -0.27 1.43 -0.55 -0.69 0.00 0.00 174.62 174.57 3a0k h ASN 118 N 1.96 0.35 1.09 3.53 7.08 -1.43 -3.22 115.58 124.94 3a0k h ASN 118 Ca -0.47 -0.25 -0.08 0.00 -3.08 0.00 0.00 56.30 52.42 3a0k h ASN 118 Cb 1.23 -0.11 -0.01 0.00 -2.08 0.00 0.00 38.32 37.35 3a0k h ASN 118 CO 0.61 0.99 -0.95 0.77 -2.08 0.00 0.00 177.43 176.76 3a0k h SER 119 N 0.19 0.00 -3.20 6.14 4.64 -1.96 -3.45 113.55 115.91 3a0k h SER 119 Ca -0.03 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.71 3a0k h SER 119 Cb 1.35 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.40 3a0k h SER 119 CO 0.12 0.30 -0.21 -0.63 -0.87 0.00 0.00 176.83 175.54 3a0k s ILE 120 N -3.11 5.05 0.88 0.95 -1.09 -1.22 -5.10 121.20 117.56 3a0k s ILE 120 Ca 0.00 0.44 -0.15 0.00 -2.23 0.00 0.00 60.65 58.71 3a0k s ILE 120 Cb 0.08 -3.65 0.21 0.00 -1.58 0.00 0.00 42.46 37.52 3a0k s ILE 120 CO 0.78 0.19 0.99 0.00 -1.23 0.00 0.00 174.94 175.66 3a0k n ALA 121 N 0.60 -1.92 0.00 9.38 0.00 -1.26 -4.58 120.51 122.73 3a0k n ALA 121 Ca -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.03 3a0k n ALA 121 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3a0k n ALA 121 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a0k n ASP 122 N -4.06 0.00 -4.63 0.00 10.43 -1.26 -4.93 116.55 112.10 3a0k n ASP 122 Ca 0.13 0.00 -0.55 0.00 2.57 0.00 0.00 54.79 56.94 3a0k n ASP 122 Cb 0.47 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.36 3a0k n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3a0k n ALA 123 N 0.00 0.24 -1.37 2.24 0.00 -1.26 -4.83 120.51 115.54 3a0k n ALA 123 Ca 0.00 0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 3a0k n ALA 123 Cb 0.00 -2.32 0.06 0.00 0.00 0.00 0.00 19.45 17.19 3a0k n ALA 123 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3a0k n ASN 124 N 6.65 -0.61 -3.80 0.00 4.13 0.57 -4.63 115.26 117.58 3a0k n ASN 124 Ca 0.31 0.66 -0.10 0.00 1.68 0.00 0.00 54.58 57.13 3a0k n ASN 124 Cb 0.16 -1.27 -0.07 0.00 -1.54 0.00 0.00 39.78 37.06 3a0k n ASN 124 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a0k s ALA 125 N -1.80 -0.45 -0.03 5.41 0.00 -1.26 -1.37 121.76 122.25 3a0k s ALA 125 Ca 0.69 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 3a0k s ALA 125 Cb -0.37 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.22 3a0k s ALA 125 CO 0.54 -0.48 0.07 -1.17 0.00 0.00 0.00 175.76 174.72 3a0k s LEU 126 N -2.56 1.15 -0.00 0.00 2.96 -0.12 -4.97 118.68 115.14 3a0k s LEU 126 Ca 0.01 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3a0k s LEU 126 Cb 0.02 0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.82 3a0k s LEU 126 CO -0.08 -0.11 -0.07 -2.28 -1.32 0.00 0.00 176.35 172.49 3a0k s HIS 127 N 0.85 0.65 0.02 5.38 5.65 -1.26 0.00 115.29 126.58 3a0k s HIS 127 Ca -0.07 -0.14 -0.00 0.00 0.25 0.00 0.00 55.06 55.10 3a0k s HIS 127 Cb -0.09 -0.41 -0.02 0.00 -1.18 0.00 0.00 32.58 30.87 3a0k s HIS 127 CO -0.03 -0.01 -0.02 -0.59 -0.65 0.00 0.00 174.74 173.43 3a0k s PHE 128 N -0.22 0.24 -0.03 3.88 -0.12 -0.28 -4.98 117.98 116.48 3a0k s PHE 128 Ca 0.02 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 56.40 3a0k s PHE 128 Cb -0.03 -0.18 0.03 0.00 -0.63 0.00 0.00 43.02 42.21 3a0k s PHE 128 CO -0.00 -0.19 0.05 0.45 -0.05 0.00 0.00 175.22 175.48 3a0k s SER 129 N -1.40 0.02 -0.14 1.98 0.15 -1.26 -0.41 113.70 112.64 3a0k s SER 129 Ca -0.15 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.59 3a0k s SER 129 Cb -0.09 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.23 3a0k s SER 129 CO -0.01 -0.11 -0.15 -0.36 1.20 0.00 0.00 173.24 173.81 3a0k s PHE 130 N 0.89 2.19 -1.58 3.44 0.08 0.11 -4.95 117.98 118.16 3a0k s PHE 130 Ca -0.07 -1.19 0.23 0.00 0.12 0.00 0.00 56.93 56.02 3a0k s PHE 130 Cb -0.10 -1.59 0.13 0.00 -0.57 0.00 0.00 43.02 40.89 3a0k s PHE 130 CO -0.03 -0.63 1.16 0.27 -0.10 0.00 0.00 175.22 175.89 3a0k n ASN 131 N 4.60 1.38 -3.82 1.36 0.23 -1.26 -1.06 115.26 116.69 3a0k n ASN 131 Ca -0.18 -1.11 -0.08 0.00 -0.53 0.00 0.00 54.58 52.68 3a0k n ASN 131 Cb 0.50 0.53 -0.02 0.00 -2.08 0.00 0.00 39.78 38.71 3a0k n ASN 131 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a0k s GLN 132 N -2.69 1.71 -0.03 -3.83 -2.07 -1.25 -4.62 119.66 106.88 3a0k s GLN 132 Ca 0.16 -0.95 0.06 0.00 -1.82 0.00 0.00 55.36 52.81 3a0k s GLN 132 Cb 0.18 0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 32.68 3a0k s GLN 132 CO 0.66 -0.77 -0.22 -0.06 -1.32 0.00 0.00 175.29 173.58 3a0k s PHE 133 N -3.91 2.00 1.23 9.60 0.40 0.34 -5.02 117.98 122.63 3a0k s PHE 133 Ca 0.11 -0.45 -0.19 0.00 -0.60 0.00 0.00 56.93 55.80 3a0k s PHE 133 Cb -0.05 -1.30 0.30 0.00 0.51 0.00 0.00 43.02 42.47 3a0k s PHE 133 CO 0.05 -0.08 1.08 0.99 0.70 0.00 0.00 175.22 177.96 3a0k s THR 134 N -0.37 1.57 -0.49 0.64 2.01 -1.26 -4.27 115.64 113.46 3a0k s THR 134 Ca 0.05 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.28 3a0k s THR 134 Cb -0.10 -2.42 0.27 0.00 0.01 0.00 0.00 72.50 70.26 3a0k s THR 134 CO 0.00 0.00 1.57 1.56 -0.69 0.00 0.00 174.62 177.06 3a0k h GLN 135 N -2.68 0.00 -2.37 4.92 1.08 -1.90 -3.25 115.11 110.91 3a0k h GLN 135 Ca -0.45 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.20 3a0k h GLN 135 Cb 1.30 0.00 -0.37 0.00 -0.05 0.00 0.00 27.48 28.36 3a0k h GLN 135 CO 0.34 0.00 -0.87 1.21 -0.95 0.00 0.00 178.83 178.56 3a0k s ASN 136 N -5.65 2.01 -0.99 1.46 3.04 -1.26 -4.83 114.94 108.72 3a0k s ASN 136 Ca 0.07 -2.46 -0.23 0.00 0.04 0.00 0.00 52.86 50.28 3a0k s ASN 136 Cb 0.08 -0.23 0.06 0.00 -1.54 0.00 0.00 41.25 39.61 3a0k s ASN 136 CO 0.67 -0.24 1.40 -2.16 -3.04 0.00 0.00 177.10 173.73 3a0k s PRO 137 N 0.71 3.56 0.25 0.43 0.04 -1.23 -4.76 135.00 134.00 3a0k s PRO 137 Ca 0.24 -1.11 0.23 0.00 0.04 0.00 0.00 61.00 60.40 3a0k s PRO 137 Cb -0.11 -5.21 0.97 0.00 0.04 0.00 0.00 34.50 30.19 3a0k s PRO 137 CO -0.08 -2.16 1.71 1.63 0.04 0.00 0.00 177.00 178.14 3a0k n LYS 138 N 8.68 0.19 -0.32 4.56 5.02 -1.26 -1.02 118.16 134.02 3a0k n LYS 138 Ca 0.29 0.42 0.10 0.00 -2.02 0.00 0.00 58.31 57.10 3a0k n LYS 138 Cb 0.51 -1.86 0.27 0.00 -0.02 0.00 0.00 35.03 33.92 3a0k n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3a0k n ASP 139 N -2.22 3.28 -4.42 4.39 5.75 -1.26 -4.84 116.55 117.22 3a0k n ASP 139 Ca 0.02 -2.03 -0.31 0.00 -0.01 0.00 0.00 54.79 52.46 3a0k n ASP 139 Cb 0.23 -0.41 -0.14 0.00 -1.03 0.00 0.00 41.12 39.77 3a0k n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3a0k s LEU 140 N -1.04 2.48 -0.48 -2.12 1.43 -0.18 -0.76 118.68 118.01 3a0k s LEU 140 Ca 0.40 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.94 3a0k s LEU 140 Cb 0.21 -1.47 0.06 0.00 0.03 0.00 0.00 46.19 45.02 3a0k s LEU 140 CO 0.27 0.30 0.52 -0.63 0.23 0.00 0.00 176.35 177.04 3a0k s ILE 141 N -0.79 5.03 -0.21 -0.59 1.01 0.12 -4.86 121.20 120.91 3a0k s ILE 141 Ca 0.12 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 3a0k s ILE 141 Cb -0.10 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 3a0k s ILE 141 CO 0.02 -0.67 0.54 -0.76 0.00 0.00 0.00 174.94 174.07 3a0k s LEU 142 N 2.23 4.14 0.07 2.97 1.43 -1.26 -0.62 118.68 127.63 3a0k s LEU 142 Ca 0.11 0.69 0.06 0.00 -1.03 0.00 0.00 54.13 53.96 3a0k s LEU 142 Cb -0.21 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 3a0k s LEU 142 CO 0.10 -0.21 -0.11 -1.10 0.23 0.00 0.00 176.35 175.27 3a0k s GLN 143 N 1.75 2.23 6.59 1.70 -0.21 0.13 -4.93 119.66 126.92 3a0k s GLN 143 Ca 0.25 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.69 3a0k s GLN 143 Cb -0.15 -2.33 0.00 0.00 1.00 0.00 0.00 33.01 31.52 3a0k s GLN 143 CO 0.10 0.54 0.00 0.41 -2.12 0.00 0.00 175.29 174.21 3a0k n GLY 144 N 1.07 2.39 0.17 3.09 0.00 -1.26 -1.00 105.19 109.66 3a0k n GLY 144 Ca -0.14 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.63 3a0k n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a0k n ASP 145 N 4.25 0.61 -4.75 1.61 8.00 0.24 -4.90 116.55 121.60 3a0k n ASP 145 Ca 0.00 -0.87 -0.41 0.00 0.71 0.00 0.00 54.79 54.22 3a0k n ASP 145 Cb 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3a0k n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a0k s ALA 146 N -2.28 3.58 0.24 2.24 0.00 -1.04 -4.47 121.76 120.03 3a0k s ALA 146 Ca 0.35 1.31 -0.13 0.00 0.00 0.00 0.00 51.96 53.49 3a0k s ALA 146 Cb 0.21 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 3a0k s ALA 146 CO 0.42 -0.72 0.47 0.95 0.00 0.00 0.00 175.76 176.89 3a0k s THR 147 N -0.37 0.00 0.01 0.00 -4.23 -0.38 -4.67 115.64 105.99 3a0k s THR 147 Ca 0.56 -1.41 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 3a0k s THR 147 Cb -0.41 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 3a0k s THR 147 CO 0.47 -0.01 0.13 0.42 -0.54 0.00 0.00 174.62 175.09 3a0k s THR 148 N -4.02 5.06 0.59 3.99 -4.23 -1.26 0.10 115.64 115.87 3a0k s THR 148 Ca 0.22 -0.33 0.09 0.00 -1.18 0.00 0.00 61.69 60.49 3a0k s THR 148 Cb -0.00 -3.36 0.09 0.00 1.34 0.00 0.00 72.50 70.57 3a0k s THR 148 CO 0.09 0.30 0.77 1.51 -0.54 0.00 0.00 174.62 176.75 3a0k s ASP 149 N -1.94 4.97 0.54 3.99 3.84 0.52 -4.89 116.67 123.70 3a0k s ASP 149 Ca 0.26 -0.96 0.25 0.00 -0.00 0.00 0.00 52.55 52.11 3a0k s ASP 149 Cb -0.12 0.45 1.42 0.00 -1.38 0.00 0.00 42.92 43.29 3a0k s ASP 149 CO 0.18 -1.39 2.01 0.28 -0.00 0.00 0.00 175.17 176.24 3a0k h SER 150 N 0.18 0.00 0.23 2.11 0.02 -1.97 -1.72 113.55 112.41 3a0k h SER 150 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3a0k h SER 150 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3a0k h SER 150 CO 0.42 0.00 -0.08 0.47 -1.14 0.00 0.00 176.83 176.51 3a0k n ASP 151 N -4.29 0.58 0.00 3.07 10.43 -1.26 -4.88 116.55 120.20 3a0k n ASP 151 Ca 0.08 -0.82 0.00 0.00 2.57 0.00 0.00 54.79 56.63 3a0k n ASP 151 Cb 0.56 -0.04 0.00 0.00 1.84 0.00 0.00 41.12 43.48 3a0k n ASP 151 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3a0k n GLY 152 N 1.21 0.68 3.81 0.44 0.00 -0.65 -4.90 105.19 105.79 3a0k n GLY 152 Ca 0.17 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3a0k n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a0k s ASN 153 N -2.40 5.74 -0.38 1.61 0.01 -1.26 0.13 114.94 118.39 3a0k s ASN 153 Ca 0.00 0.06 -0.18 0.00 -0.71 0.00 0.00 52.86 52.03 3a0k s ASN 153 Cb 0.00 -1.60 0.01 0.00 0.41 0.00 0.00 41.25 40.06 3a0k s ASN 153 CO 0.00 0.17 0.47 -0.22 -1.51 0.00 0.00 177.10 176.01 3a0k s LEU 154 N -2.45 4.54 -0.53 0.60 2.96 -0.02 -0.36 118.68 123.42 3a0k s LEU 154 Ca 0.31 -0.30 -0.18 0.00 -0.22 0.00 0.00 54.13 53.74 3a0k s LEU 154 Cb -0.12 -2.49 0.09 0.00 0.50 0.00 0.00 46.19 44.17 3a0k s LEU 154 CO 0.24 -0.51 0.57 -1.61 -1.32 0.00 0.00 176.35 173.71 3a0k s GLU 155 N 2.29 3.04 0.30 1.98 0.41 0.11 0.95 118.70 127.78 3a0k s GLU 155 Ca 0.16 -1.32 0.06 0.00 -0.41 0.00 0.00 54.97 53.46 3a0k s GLU 155 Cb -0.16 -4.21 0.49 0.00 -1.78 0.00 0.00 34.13 28.47 3a0k s GLU 155 CO 0.14 -1.31 1.74 -0.07 -0.49 0.00 0.00 175.26 175.26 3a0k h LEU 156 N 9.40 0.31 -9.34 1.80 3.38 -1.52 -1.00 115.31 118.34 3a0k h LEU 156 Ca -0.29 -0.11 -0.61 0.00 0.09 0.00 0.00 57.88 56.96 3a0k h LEU 156 Cb 1.10 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 3a0k h LEU 156 CO 1.01 0.63 -0.72 0.42 0.09 0.00 0.00 178.44 179.87 3a0k s THR 157 N -4.33 3.08 0.28 0.22 -4.23 -1.26 -2.72 115.64 106.69 3a0k s THR 157 Ca -0.05 -1.86 -0.30 0.00 -1.18 0.00 0.00 61.69 58.29 3a0k s THR 157 Cb 0.14 -2.57 -0.11 0.00 1.34 0.00 0.00 72.50 71.29 3a0k s THR 157 CO 0.77 -0.22 1.59 -0.75 -0.54 0.00 0.00 174.62 175.47 3a0k s LYS 158 N -3.13 4.13 0.14 3.99 2.47 -1.26 -4.67 119.74 121.41 3a0k s LYS 158 Ca 0.27 2.56 0.06 0.00 -1.56 0.00 0.00 55.97 57.29 3a0k s LYS 158 Cb -0.08 -3.03 -0.04 0.00 -1.46 0.00 0.00 37.83 33.22 3a0k s LYS 158 CO 0.16 -0.62 -0.13 0.14 0.16 0.00 0.00 175.35 175.06 3a0k s VAL 159 N 0.08 1.36 1.12 4.02 -7.23 -1.26 -0.93 120.40 117.56 3a0k s VAL 159 Ca 0.64 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.72 3a0k s VAL 159 Cb -0.47 -1.71 0.27 0.00 0.56 0.00 0.00 36.38 35.02 3a0k s VAL 159 CO 0.46 -0.54 1.21 -1.54 -0.31 0.00 0.00 175.10 174.38 3a0k n SER 160 N 0.16 -1.07 -0.32 4.85 3.41 0.20 -4.79 113.62 116.06 3a0k n SER 160 Ca -0.13 -1.32 0.13 0.00 -0.26 0.00 0.00 58.87 57.30 3a0k n SER 160 Cb 0.59 -1.01 0.35 0.00 -0.26 0.00 0.00 64.21 63.87 3a0k n SER 160 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3a0k h SER 161 N -2.27 0.72 -0.07 4.04 0.02 -2.01 0.84 113.55 114.82 3a0k h SER 161 Ca -0.42 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3a0k h SER 161 Cb 1.23 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3a0k h SER 161 CO 0.29 0.30 0.00 -1.54 -1.14 0.00 0.00 176.83 174.74 3a0k n SER 162 N -4.66 1.32 0.00 3.07 3.41 -1.26 -4.90 113.62 110.60 3a0k n SER 162 Ca 0.21 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 3a0k n SER 162 Cb 0.55 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3a0k n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a0k n GLY 163 N 1.12 0.78 3.78 5.00 0.00 0.29 -5.05 105.19 111.10 3a0k n GLY 163 Ca 0.18 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 3a0k n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a0k s SER 164 N -2.44 6.88 0.39 1.61 0.15 -1.26 -4.62 113.70 114.42 3a0k s SER 164 Ca 0.00 1.05 -0.23 0.00 0.70 0.00 0.00 55.95 57.46 3a0k s SER 164 Cb 0.00 -2.32 -0.10 0.00 -1.71 0.00 0.00 66.02 61.89 3a0k s SER 164 CO 0.00 0.15 1.00 -2.16 1.20 0.00 0.00 173.24 173.43 3a0k s PRO 165 N -0.31 4.25 0.07 5.44 0.04 -1.26 0.58 135.00 143.80 3a0k s PRO 165 Ca 0.28 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.68 3a0k s PRO 165 Cb -0.17 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 3a0k s PRO 165 CO 0.15 -0.04 0.19 -0.65 0.04 0.00 0.00 177.00 176.69 3a0k s GLN 166 N -2.61 3.33 0.83 4.56 -1.52 -0.10 -4.84 119.66 119.31 3a0k s GLN 166 Ca 0.58 -0.49 -0.12 0.00 -1.95 0.00 0.00 55.36 53.38 3a0k s GLN 166 Cb -0.18 -2.98 0.09 0.00 -0.22 0.00 0.00 33.01 29.73 3a0k s GLN 166 CO 0.22 0.60 1.15 0.20 -0.25 0.00 0.00 175.29 177.21 3a0k s GLY 167 N -2.50 1.59 -1.48 3.09 0.00 -1.26 -4.36 107.32 102.41 3a0k s GLY 167 Ca 0.34 -0.54 -0.06 0.00 0.00 0.00 0.00 44.72 44.46 3a0k s GLY 167 CO 0.27 -0.04 0.63 1.44 0.00 0.00 0.00 173.10 175.40 3a0k n SER 168 N -3.45 -1.80 -4.49 1.64 7.64 0.31 -4.83 113.62 108.63 3a0k n SER 168 Ca 0.07 -0.94 -0.29 0.00 1.01 0.00 0.00 58.87 58.72 3a0k n SER 168 Cb 0.60 -3.27 -0.11 0.00 -1.01 0.00 0.00 64.21 60.41 3a0k n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3a0k s SER 169 N -3.97 3.90 -0.03 6.43 0.15 -1.06 -4.92 113.70 114.20 3a0k s SER 169 Ca 0.27 -0.57 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 3a0k s SER 169 Cb -0.14 -0.55 0.02 0.00 -1.71 0.00 0.00 66.02 63.64 3a0k s SER 169 CO 0.88 0.17 0.08 0.54 1.20 0.00 0.00 173.24 176.11 3a0k s VAL 170 N -1.21 -0.02 -0.06 4.45 0.11 -1.26 -0.12 120.40 122.28 3a0k s VAL 170 Ca 0.19 0.08 -0.18 0.00 -2.93 0.00 0.00 61.98 59.13 3a0k s VAL 170 Cb -0.10 -0.13 0.04 0.00 -1.53 0.00 0.00 36.38 34.65 3a0k s VAL 170 CO 0.11 0.03 0.41 -0.83 -3.33 0.00 0.00 175.10 171.49 3a0k s GLY 171 N 0.46 -0.28 0.09 6.54 0.00 -0.59 0.83 107.32 114.38 3a0k s GLY 171 Ca -0.03 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.45 3a0k s GLY 171 CO -0.02 0.54 -0.02 0.50 0.00 0.00 0.00 173.10 174.10 3a0k s ARG 172 N -0.84 0.78 -0.05 2.90 0.52 -0.17 -0.87 118.95 121.22 3a0k s ARG 172 Ca -0.09 -1.32 -0.01 0.00 -0.52 0.00 0.00 55.73 53.79 3a0k s ARG 172 Cb -0.04 0.06 0.03 0.00 0.52 0.00 0.00 34.95 35.52 3a0k s ARG 172 CO 0.04 -0.11 0.01 0.00 0.02 0.00 0.00 175.30 175.26 3a0k s ALA 173 N -3.84 0.51 -0.03 2.13 0.00 -0.08 0.19 121.76 120.64 3a0k s ALA 173 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.13 3a0k s ALA 173 Cb 0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 3a0k s ALA 173 CO -0.05 -0.33 -0.09 -0.51 0.00 0.00 0.00 175.76 174.77 3a0k s LEU 174 N 1.69 3.05 0.36 0.00 1.43 0.20 0.37 118.68 125.80 3a0k s LEU 174 Ca 0.00 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.70 3a0k s LEU 174 Cb -0.13 -1.70 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 3a0k s LEU 174 CO -0.03 0.32 1.26 0.12 0.23 0.00 0.00 176.35 178.25 3a0k s PHE 175 N -0.87 3.02 0.19 0.29 5.36 0.52 0.11 117.98 126.60 3a0k s PHE 175 Ca 0.14 1.46 -0.12 0.00 -0.96 0.00 0.00 56.93 57.45 3a0k s PHE 175 Cb -0.11 -3.59 0.10 0.00 -0.34 0.00 0.00 43.02 39.08 3a0k s PHE 175 CO 0.04 -1.73 1.85 -0.92 -1.46 0.00 0.00 175.22 173.00 3a0k h TYR 176 N 3.05 0.79 -3.41 10.12 5.03 -1.27 -3.42 116.97 127.85 3a0k h TYR 176 Ca -0.49 0.02 -0.54 0.00 2.58 0.00 0.00 58.73 60.29 3a0k h TYR 176 Cb 1.23 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 39.22 3a0k h TYR 176 CO 0.55 0.50 0.30 0.00 -1.32 0.00 0.00 178.16 178.20 3a0k s ALA 177 N -6.13 3.21 0.62 1.82 0.00 -1.26 -5.00 121.76 115.02 3a0k s ALA 177 Ca -0.13 0.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 3a0k s ALA 177 Cb 0.13 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3a0k s ALA 177 CO 0.76 -0.18 1.18 -2.30 0.00 0.00 0.00 175.76 175.22 3a0k n PRO 178 N 3.76 1.11 -4.69 0.00 -0.02 -1.26 -4.76 135.00 129.13 3a0k n PRO 178 Ca 0.04 0.43 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 3a0k n PRO 178 Cb 0.51 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 3a0k n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3a0k s VAL 179 N -1.42 3.39 -0.37 -1.45 1.01 0.99 -4.93 120.40 117.62 3a0k s VAL 179 Ca 0.79 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 3a0k s VAL 179 Cb -0.40 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3a0k s VAL 179 CO 0.44 0.55 0.53 -2.28 0.00 0.00 0.00 175.10 174.35 3a0k s HIS 180 N -0.20 3.16 -1.38 5.22 2.46 -1.26 -1.20 115.29 122.08 3a0k s HIS 180 Ca 0.02 0.09 0.12 0.00 0.47 0.00 0.00 55.06 55.76 3a0k s HIS 180 Cb -0.13 -3.00 0.07 0.00 -0.13 0.00 0.00 32.58 29.39 3a0k s HIS 180 CO 0.03 -0.61 0.83 0.44 -2.47 0.00 0.00 174.74 172.96 3a0k n ILE 181 N 5.50 0.00 -3.63 0.89 -5.35 0.15 -4.67 119.36 112.26 3a0k n ILE 181 Ca -0.04 -0.47 -0.09 0.00 -0.27 0.00 0.00 62.75 61.88 3a0k n ILE 181 Cb 0.49 1.22 -0.02 0.00 -1.74 0.00 0.00 39.64 39.59 3a0k n ILE 181 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3a0k s TRP 182 N -1.09 -0.34 0.26 4.28 -0.11 -1.12 -4.73 118.94 116.09 3a0k s TRP 182 Ca 0.13 0.04 -0.21 0.00 1.22 0.00 0.00 56.10 57.27 3a0k s TRP 182 Cb 0.10 0.62 0.03 0.00 -1.50 0.00 0.00 33.47 32.71 3a0k s TRP 182 CO 0.18 -0.93 0.72 -1.83 -4.62 0.00 0.00 176.95 170.47 3a0k s GLU 183 N -3.65 1.72 0.29 5.86 -1.05 -1.26 -4.72 118.70 115.89 3a0k s GLU 183 Ca 0.07 -0.93 0.03 0.00 -0.15 0.00 0.00 54.97 53.98 3a0k s GLU 183 Cb -0.03 0.60 0.73 0.00 -0.44 0.00 0.00 34.13 34.99 3a0k s GLU 183 CO -0.04 -0.79 1.66 1.03 0.95 0.00 0.00 175.26 178.08 3a0k h SER 184 N 2.00 0.11 -0.61 0.83 0.87 -2.01 0.15 113.55 114.89 3a0k h SER 184 Ca -0.20 0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 3a0k h SER 184 Cb 1.25 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.41 3a0k h SER 184 CO 0.24 -0.11 0.05 -1.54 -0.53 0.00 0.00 176.83 174.94 3a0k n SER 185 N -5.17 5.64 -4.77 6.23 3.41 -1.26 -4.98 113.62 112.72 3a0k n SER 185 Ca 0.22 -2.99 -0.39 0.00 -0.26 0.00 0.00 58.87 55.46 3a0k n SER 185 Cb 0.69 -0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 3a0k n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a0k s ALA 186 N -2.81 3.26 -0.24 7.33 0.00 0.52 -1.11 121.76 128.70 3a0k s ALA 186 Ca 0.55 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 3a0k s ALA 186 Cb 0.42 -3.29 -0.16 0.00 0.00 0.00 0.00 23.12 20.09 3a0k s ALA 186 CO 0.16 -0.13 -0.15 0.28 0.00 0.00 0.00 175.76 175.91 3a0k n VAL 187 N 0.68 1.55 -3.72 0.00 0.31 0.42 -4.80 118.33 112.77 3a0k n VAL 187 Ca 0.01 -0.43 -0.13 0.00 -0.01 0.00 0.00 64.34 63.78 3a0k n VAL 187 Cb 0.47 -1.73 -0.10 0.00 -0.91 0.00 0.00 33.84 31.58 3a0k n VAL 187 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3a0k s VAL 188 N -2.50 0.01 0.05 2.52 1.01 -0.70 -4.87 120.40 115.92 3a0k s VAL 188 Ca -0.34 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3a0k s VAL 188 Cb 0.11 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 3a0k s VAL 188 CO 0.57 -0.02 -0.14 0.00 0.00 0.00 0.00 175.10 175.52 3a0k s ALA 189 N 0.05 1.12 0.21 5.51 0.00 -1.26 0.39 121.76 127.79 3a0k s ALA 189 Ca -0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 3a0k s ALA 189 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3a0k s ALA 189 CO 0.01 0.18 0.44 -1.54 0.00 0.00 0.00 175.76 174.85 3a0k s SER 190 N -1.42 -0.10 0.10 0.00 1.04 -0.00 0.10 113.70 113.40 3a0k s SER 190 Ca -0.01 -0.79 -0.22 0.00 0.48 0.00 0.00 55.95 55.41 3a0k s SER 190 Cb -0.09 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.64 3a0k s SER 190 CO 0.02 -1.05 0.54 0.72 0.98 0.00 0.00 173.24 174.45 3a0k s PHE 191 N -3.96 -0.45 0.01 5.02 -0.12 -0.22 -0.86 117.98 117.40 3a0k s PHE 191 Ca 0.17 0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.43 3a0k s PHE 191 Cb 0.00 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 3a0k s PHE 191 CO 0.03 -0.73 -0.01 -0.51 -0.05 0.00 0.00 175.22 173.95 3a0k s ASP 192 N -2.36 0.11 0.01 1.98 1.01 0.19 -0.49 116.67 117.12 3a0k s ASP 192 Ca -0.02 -0.18 -0.03 0.00 0.71 0.00 0.00 52.55 53.03 3a0k s ASP 192 Cb -0.00 0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.95 3a0k s ASP 192 CO -0.07 -0.10 0.05 0.00 0.21 0.00 0.00 175.17 175.25 3a0k s ALA 193 N -0.52 -0.09 0.01 5.23 0.00 0.18 -0.36 121.76 126.20 3a0k s ALA 193 Ca -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 3a0k s ALA 193 Cb -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3a0k s ALA 193 CO -0.00 -0.17 -0.00 -0.08 0.00 0.00 0.00 175.76 175.51 3a0k s THR 194 N -1.29 0.06 0.08 0.00 -1.32 0.02 -0.03 115.64 113.16 3a0k s THR 194 Ca -0.14 -0.47 -0.07 0.00 -1.21 0.00 0.00 61.69 59.80 3a0k s THR 194 Cb -0.08 -0.16 -0.01 0.00 -1.51 0.00 0.00 72.50 70.74 3a0k s THR 194 CO 0.00 -0.26 0.14 0.72 -2.21 0.00 0.00 174.62 173.01 3a0k s PHE 195 N -0.76 0.23 0.06 9.09 -0.71 -0.06 0.48 117.98 126.31 3a0k s PHE 195 Ca -0.08 -0.69 0.08 0.00 -1.04 0.00 0.00 56.93 55.20 3a0k s PHE 195 Cb -0.05 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 3a0k s PHE 195 CO -0.00 -0.51 -0.20 0.95 -1.34 0.00 0.00 175.22 174.12 3a0k s THR 196 N -3.87 2.66 0.01 -4.49 -4.23 -0.63 0.09 115.64 105.18 3a0k s THR 196 Ca 0.05 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 3a0k s THR 196 Cb 0.06 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.77 3a0k s THR 196 CO -0.11 0.28 0.21 0.72 -0.54 0.00 0.00 174.62 175.19 3a0k s PHE 197 N -0.95 -0.03 -0.13 3.99 -0.12 -0.24 0.09 117.98 120.58 3a0k s PHE 197 Ca 0.15 -0.03 -0.01 0.00 -0.05 0.00 0.00 56.93 56.98 3a0k s PHE 197 Cb -0.10 0.01 0.04 0.00 -0.63 0.00 0.00 43.02 42.33 3a0k s PHE 197 CO 0.06 -0.36 -0.01 -1.17 -0.05 0.00 0.00 175.22 173.68 3a0k s LEU 198 N -1.56 1.03 -0.32 -1.99 1.98 0.69 -0.10 118.68 118.41 3a0k s LEU 198 Ca -0.12 -0.41 -0.08 0.00 -2.89 0.00 0.00 54.13 50.63 3a0k s LEU 198 Cb -0.05 -0.64 0.02 0.00 0.66 0.00 0.00 46.19 46.18 3a0k s LEU 198 CO 0.01 -0.21 0.12 -0.63 -1.89 0.00 0.00 176.35 173.75 3a0k s ILE 199 N 1.84 4.11 0.16 6.68 1.01 -1.26 -1.95 121.20 131.79 3a0k s ILE 199 Ca 0.03 -0.78 0.11 0.00 0.00 0.00 0.00 60.65 60.01 3a0k s ILE 199 Cb -0.14 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3a0k s ILE 199 CO -0.07 -0.03 -0.25 -0.54 0.00 0.00 0.00 174.94 174.06 3a0k s LYS 200 N 1.50 1.50 -0.18 2.79 1.02 -1.25 -0.10 119.74 125.01 3a0k s LYS 200 Ca 0.02 -1.44 -0.26 0.00 0.02 0.00 0.00 55.97 54.31 3a0k s LYS 200 Cb -0.18 -1.89 0.07 0.00 -0.52 0.00 0.00 37.83 35.31 3a0k s LYS 200 CO 0.04 0.42 0.67 0.45 -0.92 0.00 0.00 175.35 176.01 3a0k s SER 201 N -2.41 -0.68 0.07 2.83 0.15 -1.26 -0.07 113.70 112.32 3a0k s SER 201 Ca 0.18 1.11 0.26 0.00 0.70 0.00 0.00 55.95 58.20 3a0k s SER 201 Cb -0.09 1.06 0.77 0.00 -1.71 0.00 0.00 66.02 66.06 3a0k s SER 201 CO 0.08 -0.38 1.64 -0.81 1.20 0.00 0.00 173.24 174.97 3a0k n PRO 202 N 2.02 0.11 -2.74 5.44 -0.04 -1.26 -4.85 135.00 133.70 3a0k n PRO 202 Ca -0.16 0.06 -0.40 0.00 -0.04 0.00 0.00 63.50 62.96 3a0k n PRO 202 Cb 0.56 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 3a0k n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3a0k s ASP 203 N -3.57 7.58 0.42 3.54 1.11 -1.26 -4.93 116.67 119.57 3a0k s ASP 203 Ca 0.11 1.90 0.15 0.00 0.18 0.00 0.00 52.55 54.89 3a0k s ASP 203 Cb 0.16 -2.60 0.93 0.00 1.07 0.00 0.00 42.92 42.48 3a0k s ASP 203 CO 0.63 0.07 1.93 0.77 1.18 0.00 0.00 175.17 179.75 3a0k h SER 204 N 4.69 0.00 -3.85 0.27 4.64 -1.96 -3.29 113.55 114.05 3a0k h SER 204 Ca -0.44 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.24 3a0k h SER 204 Cb 1.20 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 3a0k h SER 204 CO 0.69 0.25 -0.69 -1.61 -0.87 0.00 0.00 176.83 174.60 3a0k s GLU 205 N -4.42 1.54 0.85 4.77 8.01 -1.26 -5.10 118.70 123.10 3a0k s GLU 205 Ca -0.03 -2.08 -0.11 0.00 0.01 0.00 0.00 54.97 52.76 3a0k s GLU 205 Cb 0.15 -2.96 0.10 0.00 -4.31 0.00 0.00 34.13 27.11 3a0k s GLU 205 CO 0.70 -1.04 1.09 -1.25 0.01 0.00 0.00 175.26 174.77 3a0k s PRO 206 N 0.46 1.61 0.22 0.39 0.04 -1.24 -4.51 135.00 131.96 3a0k s PRO 206 Ca 0.14 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.00 3a0k s PRO 206 Cb -0.22 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.52 3a0k s PRO 206 CO -0.06 -2.05 0.64 0.00 0.04 0.00 0.00 177.00 175.56 3a0k s ALA 207 N -2.89 -1.27 -0.17 8.56 0.00 -1.12 -4.09 121.76 120.78 3a0k s ALA 207 Ca 0.63 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.60 3a0k s ALA 207 Cb -0.18 0.87 -0.14 0.00 0.00 0.00 0.00 23.12 23.67 3a0k s ALA 207 CO 0.57 -0.90 -0.10 -0.25 0.00 0.00 0.00 175.76 175.08 3a0k n ASP 208 N -0.41 2.19 0.00 0.00 8.00 -0.08 -1.83 116.55 124.43 3a0k n ASP 208 Ca -0.09 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3a0k n ASP 208 Cb 0.62 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3a0k n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a0k n GLY 209 N 2.45 0.46 3.01 0.44 0.00 -1.13 -1.08 105.19 109.35 3a0k n GLY 209 Ca -0.30 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 3a0k n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a0k s ILE 210 N -1.98 0.45 0.04 -0.61 1.01 -0.27 -1.38 121.20 118.47 3a0k s ILE 210 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3a0k s ILE 210 Cb 0.00 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 3a0k s ILE 210 CO 0.00 -0.17 -0.04 0.42 0.00 0.00 0.00 174.94 175.14 3a0k s THR 211 N -0.83 0.28 -0.14 2.92 -4.23 0.12 0.94 115.64 114.69 3a0k s THR 211 Ca -0.05 -1.31 -0.06 0.00 -1.18 0.00 0.00 61.69 59.09 3a0k s THR 211 Cb -0.06 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 3a0k s THR 211 CO 0.00 -0.67 0.07 0.12 -0.54 0.00 0.00 174.62 173.60 3a0k s PHE 212 N -2.40 3.33 0.06 3.99 5.36 -0.22 -0.83 117.98 127.27 3a0k s PHE 212 Ca -0.05 0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 56.13 3a0k s PHE 212 Cb -0.03 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.66 3a0k s PHE 212 CO -0.04 0.41 0.01 -0.59 -1.46 0.00 0.00 175.22 173.55 3a0k s PHE 213 N -0.39 0.45 -0.01 10.12 -0.71 0.72 -0.24 117.98 127.93 3a0k s PHE 213 Ca 0.09 -0.98 0.05 0.00 -1.04 0.00 0.00 56.93 55.06 3a0k s PHE 213 Cb -0.12 -0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 41.35 3a0k s PHE 213 CO 0.02 -0.41 -0.16 0.42 -1.34 0.00 0.00 175.22 173.75 3a0k s ILE 214 N -3.87 1.25 0.17 -4.49 1.01 0.59 -0.41 121.20 115.45 3a0k s ILE 214 Ca 0.06 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 3a0k s ILE 214 Cb 0.07 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.51 3a0k s ILE 214 CO -0.10 0.32 0.43 0.00 0.00 0.00 0.00 174.94 175.59 3a0k s ALA 215 N -0.42 -0.73 0.47 9.38 0.00 -0.45 -0.89 121.76 129.11 3a0k s ALA 215 Ca 0.06 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 51.49 3a0k s ALA 215 Cb -0.06 0.80 -0.11 0.00 0.00 0.00 0.00 23.12 23.75 3a0k s ALA 215 CO -0.00 -0.72 0.58 0.27 0.00 0.00 0.00 175.76 175.89 3a0k n ASN 216 N -0.28 -0.72 0.25 0.00 6.94 -1.17 -0.22 115.26 120.06 3a0k n ASN 216 Ca -0.11 0.86 0.08 0.00 -0.02 0.00 0.00 54.58 55.39 3a0k n ASN 216 Cb 0.63 -1.16 0.63 0.00 -2.36 0.00 0.00 39.78 37.52 3a0k n ASN 216 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3a0k h THR 217 N 0.69 0.95 -0.60 5.53 1.35 -1.83 -1.14 112.91 117.85 3a0k h THR 217 Ca -0.43 -0.32 -0.19 0.00 -0.55 0.00 0.00 66.41 64.93 3a0k h THR 217 Cb 1.39 1.18 -0.11 0.00 -1.73 0.00 0.00 68.15 68.88 3a0k h THR 217 CO 0.50 0.09 0.24 -0.90 -0.25 0.00 0.00 175.52 175.20 3a0k n ASP 218 N -4.26 4.19 -4.68 5.36 5.75 -1.26 -4.68 116.55 116.98 3a0k n ASP 218 Ca -0.03 -2.97 -0.42 0.00 -0.01 0.00 0.00 54.79 51.37 3a0k n ASP 218 Cb 0.17 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 3a0k n ASP 218 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3a0k n THR 219 N -0.10 2.29 -4.18 2.12 5.66 -0.43 -5.00 114.28 114.64 3a0k n THR 219 Ca 0.33 -0.50 -0.11 0.00 -3.05 0.00 0.00 64.05 60.72 3a0k n THR 219 Cb 1.19 -1.46 -0.10 0.00 -1.55 0.00 0.00 70.33 68.41 3a0k n THR 219 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3a0k s SER 220 N -0.49 0.31 0.00 1.09 1.04 -1.26 -5.09 113.70 109.30 3a0k s SER 220 Ca 0.59 -1.28 -0.30 0.00 0.48 0.00 0.00 55.95 55.44 3a0k s SER 220 Cb -0.55 0.32 -0.07 0.00 0.10 0.00 0.00 66.02 65.82 3a0k s SER 220 CO 0.60 -0.76 1.63 -0.63 0.98 0.00 0.00 173.24 175.06 3a0k s ILE 221 N -4.07 3.37 0.64 -1.02 1.01 -1.26 -4.91 121.20 114.96 3a0k s ILE 221 Ca 0.30 0.64 -0.17 0.00 0.00 0.00 0.00 60.65 61.42 3a0k s ILE 221 Cb 0.07 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 3a0k s ILE 221 CO 0.06 -0.03 1.20 -2.84 0.00 0.00 0.00 174.94 173.33 3a0k s PRO 222 N 3.33 2.69 0.25 2.79 0.02 -1.26 -4.92 135.00 137.90 3a0k s PRO 222 Ca 0.73 1.78 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 3a0k s PRO 222 Cb -0.36 -1.90 -0.13 0.00 0.02 0.00 0.00 34.50 32.14 3a0k s PRO 222 CO 0.31 -1.41 1.50 0.43 -0.33 0.00 0.00 177.00 177.50 3a0k n SER 223 N -2.02 3.24 -0.01 2.53 7.64 -1.26 -1.80 113.62 121.95 3a0k n SER 223 Ca 0.13 1.14 -0.00 0.00 1.01 0.00 0.00 58.87 61.15 3a0k n SER 223 Cb 0.50 -1.50 -0.00 0.00 -1.01 0.00 0.00 64.21 62.20 3a0k n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a0k n GLY 224 N 2.33 0.43 1.28 0.23 0.00 -1.26 -4.49 105.19 103.71 3a0k n GLY 224 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 3a0k n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a0k n SER 225 N -0.08 3.16 -4.43 1.61 3.41 -0.74 -4.73 113.62 111.81 3a0k n SER 225 Ca -0.00 -2.52 -0.28 0.00 -0.26 0.00 0.00 58.87 55.81 3a0k n SER 225 Cb 0.07 -0.61 0.15 0.00 -0.26 0.00 0.00 64.21 63.56 3a0k n SER 225 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3a0k s SER 226 N -0.19 3.71 1.85 4.04 0.01 -1.26 -0.68 113.70 121.19 3a0k s SER 226 Ca 0.24 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.79 3a0k s SER 226 Cb 0.19 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.89 3a0k s SER 226 CO 0.06 -2.35 0.00 0.61 0.41 0.00 0.00 173.24 171.97 3a0k n GLY 227 N -3.47 3.96 0.05 3.44 0.00 -1.22 -1.91 105.19 106.05 3a0k n GLY 227 Ca 0.13 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3a0k n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a0k n ARG 228 N 14.00 0.05 -0.07 1.61 1.85 -1.26 -0.72 116.66 132.13 3a0k n ARG 228 Ca 0.00 0.45 0.12 0.00 -1.00 0.00 0.00 57.85 57.42 3a0k n ARG 228 Cb 0.00 -1.64 0.35 0.00 -1.05 0.00 0.00 32.46 30.12 3a0k n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3a0k n LEU 229 N -1.75 2.10 -1.44 2.89 4.77 -0.80 -4.92 117.00 117.84 3a0k n LEU 229 Ca 0.01 -0.82 -0.19 0.00 -0.03 0.00 0.00 56.01 54.99 3a0k n LEU 229 Cb 0.08 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3a0k n LEU 229 CO 0.08 0.41 -0.18 0.18 -1.33 0.00 0.00 177.39 176.55 3a0k n LEU 230 N 0.61 -1.36 -0.20 2.23 7.99 0.11 -0.95 117.00 125.42 3a0k n LEU 230 Ca 0.17 0.45 -0.03 0.00 -0.01 0.00 0.00 56.01 56.60 3a0k n LEU 230 Cb 0.42 -2.61 -0.01 0.00 -0.11 0.00 0.00 43.42 41.11 3a0k n LEU 230 CO 0.15 -0.96 -0.02 0.61 -1.51 0.00 0.00 177.39 175.65 3a0k n GLY 231 N -0.69 0.59 0.03 -0.72 0.00 0.15 -4.07 105.19 100.47 3a0k n GLY 231 Ca -0.19 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.30 3a0k n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a0k n LEU 232 N -0.30 0.00 -4.13 0.99 4.32 -0.13 -4.33 117.00 113.43 3a0k n LEU 232 Ca -0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.81 3a0k n LEU 232 Cb 0.13 0.16 -0.12 0.00 -1.62 0.00 0.00 43.42 41.97 3a0k n LEU 232 CO 0.04 0.16 -0.43 -0.36 -1.22 0.00 0.00 177.39 175.58 3a0k s PHE 233 N -2.20 0.98 -1.12 -1.77 0.08 -1.16 -4.72 117.98 108.08 3a0k s PHE 233 Ca -0.03 -0.49 0.29 0.00 0.12 0.00 0.00 56.93 56.81 3a0k s PHE 233 Cb 0.02 -0.56 1.18 0.00 -0.57 0.00 0.00 43.02 43.09 3a0k s PHE 233 CO 0.29 -0.01 1.87 -0.35 -0.10 0.00 0.00 175.22 176.92 3a0k n PRO 234 N 1.30 0.12 -2.63 0.24 -0.04 -1.26 -3.80 135.00 128.92 3a0k n PRO 234 Ca -0.21 -0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.17 3a0k n PRO 234 Cb 0.55 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 3a0k n PRO 234 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3a0k n ASP 235 N -1.42 -1.16 -1.44 3.54 5.68 -1.26 -4.66 116.55 115.83 3a0k n ASP 235 Ca 0.09 -1.93 0.04 0.00 -0.50 0.00 0.00 54.79 52.49 3a0k n ASP 235 Cb 0.32 1.97 0.31 0.00 -1.14 0.00 0.00 41.12 42.58 3a0k n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a0k n ALA 236 N -1.66 3.69 0.11 2.12 0.00 -1.26 -4.67 120.51 118.84 3a0k n ALA 236 Ca -0.09 -2.27 0.01 0.00 0.00 0.00 0.00 53.44 51.09 3a0k n ALA 236 Cb 0.33 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 18.88 3a0k n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59