#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4k s LEU 2 N 0.00 4.37 -0.13 -4.62 0.20 -1.26 -4.95 118.68 112.29 1a4k s LEU 2 Ca 0.00 -0.42 -0.07 0.00 0.69 0.00 0.00 54.13 54.33 1a4k s LEU 2 Cb 0.00 -2.77 -0.04 0.00 -0.43 0.00 0.00 46.19 42.95 1a4k s LEU 2 CO 0.00 -1.04 0.13 -0.69 -0.29 0.00 0.00 176.35 174.45 1a4k s VAL 3 N 3.40 5.39 -0.14 1.68 1.01 -1.26 -4.89 120.40 125.59 1a4k s VAL 3 Ca 0.26 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1a4k s VAL 3 Cb -0.14 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1a4k s VAL 3 CO 0.18 0.60 -0.01 -0.04 0.00 0.00 0.00 175.10 175.83 1a4k s MET 4 N -0.87 3.55 -0.31 2.72 1.00 -1.26 -1.92 119.30 122.21 1a4k s MET 4 Ca 0.14 -0.46 0.02 0.00 0.00 0.00 0.00 55.69 55.39 1a4k s MET 4 Cb -0.12 -2.94 0.09 0.00 0.00 0.00 0.00 34.83 31.86 1a4k s MET 4 CO 0.03 0.37 0.03 0.99 0.00 0.00 0.00 175.02 176.44 1a4k s THR 5 N 0.03 1.80 -0.34 2.05 2.01 0.33 -4.36 115.64 117.17 1a4k s THR 5 Ca 0.02 -1.86 -0.24 0.00 0.31 0.00 0.00 61.69 59.92 1a4k s THR 5 Cb -0.13 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.13 1a4k s THR 5 CO 0.02 -0.48 0.80 -1.10 -0.69 0.00 0.00 174.62 173.17 1a4k s GLN 6 N 1.18 3.87 0.02 4.92 -0.21 -1.26 -1.10 119.66 127.07 1a4k s GLN 6 Ca 0.06 0.49 -0.09 0.00 0.02 0.00 0.00 55.36 55.83 1a4k s GLN 6 Cb -0.19 -3.77 -0.05 0.00 1.00 0.00 0.00 33.01 30.01 1a4k s GLN 6 CO -0.12 -0.78 1.14 1.15 -2.12 0.00 0.00 175.29 174.57 1a4k h THR 7 N 5.68 0.00 -3.25 -0.19 2.02 -1.69 -3.38 112.91 112.11 1a4k h THR 7 Ca -0.24 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.38 1a4k h THR 7 Cb 1.09 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1a4k h THR 7 CO 0.91 0.00 1.02 -2.16 0.37 0.00 0.00 175.52 175.66 1a4k s PRO 8 N -3.73 3.52 0.26 6.66 0.05 -1.26 -4.82 135.00 135.68 1a4k s PRO 8 Ca -0.05 0.55 0.08 0.00 0.05 0.00 0.00 61.00 61.64 1a4k s PRO 8 Cb 0.01 -4.02 0.31 0.00 0.05 0.00 0.00 34.50 30.85 1a4k s PRO 8 CO 0.15 -1.65 1.59 -0.07 0.05 0.00 0.00 177.00 177.07 1a4k h LEU 9 N 12.15 0.09 -7.91 -3.56 3.38 -1.82 -3.42 115.31 114.22 1a4k h LEU 9 Ca -0.26 -0.05 -0.49 0.00 0.09 0.00 0.00 57.88 57.17 1a4k h LEU 9 Cb 1.08 -0.03 -0.34 0.00 0.09 0.00 0.00 40.66 41.47 1a4k h LEU 9 CO 1.15 0.69 -0.80 -0.55 0.09 0.00 0.00 178.44 179.01 1a4k s SER 10 N -6.86 1.57 -0.44 -0.43 0.15 -1.26 -1.05 113.70 105.37 1a4k s SER 10 Ca -0.02 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.40 1a4k s SER 10 Cb 0.12 -0.73 0.13 0.00 -1.71 0.00 0.00 66.02 63.84 1a4k s SER 10 CO 0.78 0.00 0.22 -0.22 1.20 0.00 0.00 173.24 175.22 1a4k s LEU 11 N 0.77 3.04 0.28 3.45 0.20 -0.51 -4.93 118.68 120.98 1a4k s LEU 11 Ca -0.13 -2.60 -0.29 0.00 0.69 0.00 0.00 54.13 51.80 1a4k s LEU 11 Cb -0.15 -1.16 -0.09 0.00 -0.43 0.00 0.00 46.19 44.36 1a4k s LEU 11 CO 0.02 -0.28 0.96 -2.84 -0.29 0.00 0.00 176.35 173.93 1a4k s PRO 12 N 0.35 4.73 -0.17 0.98 0.02 -1.26 -1.38 135.00 138.26 1a4k s PRO 12 Ca 0.17 1.48 -0.22 0.00 0.02 0.00 0.00 61.00 62.45 1a4k s PRO 12 Cb -0.24 -3.10 0.06 0.00 0.02 0.00 0.00 34.50 31.24 1a4k s PRO 12 CO -0.02 0.39 0.57 0.54 -0.33 0.00 0.00 177.00 178.16 1a4k s VAL 13 N -1.33 0.01 0.45 3.83 0.11 0.27 -4.90 120.40 118.84 1a4k s VAL 13 Ca 0.45 -0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 59.23 1a4k s VAL 13 Cb -0.24 -0.83 -0.08 0.00 -1.53 0.00 0.00 36.38 33.70 1a4k s VAL 13 CO 0.30 -0.02 1.07 -0.44 -3.33 0.00 0.00 175.10 172.68 1a4k s SER 14 N -0.09 6.46 0.24 3.54 0.01 -1.26 -0.65 113.70 121.96 1a4k s SER 14 Ca -0.03 2.05 -0.31 0.00 1.31 0.00 0.00 55.95 58.96 1a4k s SER 14 Cb -0.04 -2.58 -0.13 0.00 0.21 0.00 0.00 66.02 63.49 1a4k s SER 14 CO 0.03 -0.70 1.56 0.18 0.41 0.00 0.00 173.24 174.71 1a4k n LEU 15 N -0.53 3.74 0.00 2.44 4.77 -1.26 -0.94 117.00 125.22 1a4k n LEU 15 Ca 0.07 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 1a4k n LEU 15 Cb 0.50 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1a4k n LEU 15 CO 0.43 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1a4k n GLY 16 N 2.66 3.24 3.89 -0.72 0.00 0.12 -4.87 105.19 109.52 1a4k n GLY 16 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1a4k n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a4k s ASP 17 N -1.06 5.77 0.18 1.61 1.01 -0.12 -3.72 116.67 120.34 1a4k s ASP 17 Ca 0.00 1.06 -0.14 0.00 0.71 0.00 0.00 52.55 54.17 1a4k s ASP 17 Cb 0.00 -2.03 -0.07 0.00 1.01 0.00 0.00 42.92 41.83 1a4k s ASP 17 CO 0.00 -1.06 0.58 -1.58 0.21 0.00 0.00 175.17 173.32 1a4k s GLN 18 N -5.14 3.98 0.02 8.23 0.74 -1.26 0.03 119.66 126.26 1a4k s GLN 18 Ca 0.55 0.51 0.07 0.00 0.05 0.00 0.00 55.36 56.53 1a4k s GLN 18 Cb -0.11 -2.86 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 1a4k s GLN 18 CO 0.50 0.43 -0.20 0.00 -0.55 0.00 0.00 175.29 175.46 1a4k s ALA 19 N -1.55 1.69 -0.06 1.58 0.00 -0.03 -4.97 121.76 118.42 1a4k s ALA 19 Ca 0.41 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1a4k s ALA 19 Cb -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1a4k s ALA 19 CO 0.20 0.39 -0.08 0.45 0.00 0.00 0.00 175.76 176.72 1a4k s SER 20 N -0.87 1.43 -0.10 0.00 0.15 -1.26 -1.04 113.70 112.00 1a4k s SER 20 Ca 0.07 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1a4k s SER 20 Cb -0.08 -0.65 -0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1a4k s SER 20 CO 0.01 -0.02 -0.22 -0.63 1.20 0.00 0.00 173.24 173.57 1a4k s ILE 21 N 0.89 2.25 -0.04 6.45 1.01 -0.39 -4.90 121.20 126.46 1a4k s ILE 21 Ca -0.11 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1a4k s ILE 21 Cb -0.15 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1a4k s ILE 21 CO 0.01 0.56 -0.07 -0.55 0.00 0.00 0.00 174.94 174.88 1a4k s SER 22 N 0.26 4.58 -0.08 3.58 0.15 -1.26 -0.48 113.70 120.46 1a4k s SER 22 Ca -0.15 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.43 1a4k s SER 22 Cb -0.17 -1.11 0.02 0.00 -1.71 0.00 0.00 66.02 63.05 1a4k s SER 22 CO 0.08 0.33 -0.08 0.00 1.20 0.00 0.00 173.24 174.77 1a4k s ARG 24 N 1.15 2.24 0.10 0.00 3.52 -0.26 -1.45 118.95 124.26 1a4k s ARG 24 Ca -0.06 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 1a4k s ARG 24 Cb -0.14 -2.00 -0.04 0.00 -1.56 0.00 0.00 34.95 31.21 1a4k s ARG 24 CO -0.02 -0.17 0.24 -1.54 -0.81 0.00 0.00 175.30 173.01 1a4k s SER 25 N 1.29 6.33 0.00 -2.12 1.04 -0.60 -0.51 113.70 119.13 1a4k s SER 25 Ca 0.00 0.21 0.21 0.00 0.48 0.00 0.00 55.95 56.85 1a4k s SER 25 Cb -0.14 -1.92 0.89 0.00 0.10 0.00 0.00 66.02 64.95 1a4k s SER 25 CO -0.07 0.11 1.66 -1.54 0.98 0.00 0.00 173.24 174.38 1a4k n SER 26 N -0.12 0.00 -4.04 7.02 3.41 -0.81 -4.76 113.62 114.33 1a4k n SER 26 Ca -0.06 0.48 -0.11 0.00 -0.26 0.00 0.00 58.87 58.92 1a4k n SER 26 Cb 0.52 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 1a4k n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1a4k s GLN 27 N -2.99 0.46 0.36 4.33 -0.21 -1.26 -5.02 119.66 115.34 1a4k s GLN 27 Ca 0.10 -0.76 -0.28 0.00 0.02 0.00 0.00 55.36 54.44 1a4k s GLN 27 Cb 0.14 -0.09 -0.11 0.00 1.00 0.00 0.00 33.01 33.95 1a4k s GLN 27 CO 0.37 -0.00 1.41 0.45 -2.12 0.00 0.00 175.29 175.40 1a4k s SER 1027N -1.70 6.52 0.00 5.90 0.15 -1.26 -4.63 113.70 118.68 1a4k s SER 1027Ca -0.10 2.90 0.26 0.00 0.70 0.00 0.00 55.95 59.71 1a4k s SER 1027Cb -0.08 -2.66 0.59 0.00 -1.71 0.00 0.00 66.02 62.16 1a4k s SER 1027CO -0.01 -0.74 1.49 0.18 1.20 0.00 0.00 173.24 175.36 1a4k n LEU 2027N 0.62 2.30 -4.69 3.45 4.77 0.14 -4.88 117.00 118.71 1a4k n LEU 2027Ca 0.01 -0.77 -0.42 0.00 -0.03 0.00 0.00 56.01 54.79 1a4k n LEU 2027Cb 0.40 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1a4k n LEU 2027CO 0.62 0.39 1.07 -0.22 -1.33 0.00 0.00 177.39 177.92 1a4k s LEU 3027N -1.99 4.30 0.48 2.23 1.98 -1.26 -3.70 118.68 120.71 1a4k s LEU 3027Ca 0.33 2.01 -0.08 0.00 -2.89 0.00 0.00 54.13 53.49 1a4k s LEU 3027Cb 0.20 -3.56 -0.05 0.00 0.66 0.00 0.00 46.19 43.45 1a4k s LEU 3027CO 0.32 -0.68 0.82 -2.28 -1.89 0.00 0.00 176.35 172.64 1a4k s HIS 4027N 2.42 3.54 -1.34 5.38 5.65 0.55 -4.92 115.29 126.57 1a4k s HIS 4027Ca 0.61 0.98 0.06 0.00 0.25 0.00 0.00 55.06 56.97 1a4k s HIS 4027Cb -0.29 -2.43 0.30 0.00 -1.18 0.00 0.00 32.58 28.98 1a4k s HIS 4027CO 0.25 -0.29 1.08 -1.13 -0.65 0.00 0.00 174.74 174.00 1a4k n SER 5027N -1.99 0.00 -1.08 9.88 3.41 -1.26 -0.19 113.62 122.39 1a4k n SER 5027Ca 0.02 0.26 0.09 0.00 -0.26 0.00 0.00 58.87 58.98 1a4k n SER 5027Cb 0.55 -0.33 0.26 0.00 -0.26 0.00 0.00 64.21 64.42 1a4k n SER 5027CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1a4k n ASN 28 N -1.33 3.66 0.00 4.04 0.23 -1.26 -4.95 115.26 115.65 1a4k n ASN 28 Ca 0.03 -2.11 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 1a4k n ASN 28 Cb 0.05 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 1a4k n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a4k n GLY 29 N 1.02 2.12 3.86 4.83 0.00 0.74 -5.03 105.19 112.74 1a4k n GLY 29 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1a4k n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a4k s ASN 30 N -3.25 6.70 -0.30 1.61 0.01 -1.25 -4.72 114.94 113.73 1a4k s ASN 30 Ca 0.00 1.10 0.02 0.00 -0.71 0.00 0.00 52.86 53.27 1a4k s ASN 30 Cb 0.00 -2.30 0.09 0.00 0.41 0.00 0.00 41.25 39.45 1a4k s ASN 30 CO 0.00 -0.15 0.03 -0.89 -1.51 0.00 0.00 177.10 174.58 1a4k s THR 31 N -1.92 1.66 -1.26 1.60 2.01 -1.26 0.21 115.64 116.68 1a4k s THR 31 Ca 0.51 -1.74 -0.12 0.00 0.31 0.00 0.00 61.69 60.65 1a4k s THR 31 Cb -0.11 -2.13 0.16 0.00 0.01 0.00 0.00 72.50 70.44 1a4k s THR 31 CO 0.20 -0.47 1.70 -1.22 -0.69 0.00 0.00 174.62 174.13 1a4k n TYR 32 N 4.55 3.86 -3.93 4.92 4.01 -1.24 -3.94 117.16 125.38 1a4k n TYR 32 Ca -0.03 -3.04 -0.35 0.00 -0.16 0.00 0.00 57.90 54.33 1a4k n TYR 32 Cb 0.43 -2.08 -0.14 0.00 -0.31 0.00 0.00 39.34 37.23 1a4k n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1a4k s LEU 33 N 0.75 3.74 0.25 7.72 1.98 -1.26 -1.15 118.68 130.72 1a4k s LEU 33 Ca 0.42 -1.23 0.09 0.00 -2.89 0.00 0.00 54.13 50.51 1a4k s LEU 33 Cb 0.04 -1.69 -0.04 0.00 0.66 0.00 0.00 46.19 45.17 1a4k s LEU 33 CO 0.00 -0.23 0.06 -1.00 -1.89 0.00 0.00 176.35 173.29 1a4k s HIS 34 N 1.25 2.84 -0.08 5.38 3.76 0.46 -0.22 115.29 128.68 1a4k s HIS 34 Ca -0.05 -0.18 0.04 0.00 -0.15 0.00 0.00 55.06 54.72 1a4k s HIS 34 Cb -0.19 -1.27 0.00 0.00 1.11 0.00 0.00 32.58 32.22 1a4k s HIS 34 CO -0.02 0.58 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.68 1a4k s TRP 35 N -2.21 2.07 0.13 1.40 0.52 0.52 -0.76 118.94 120.61 1a4k s TRP 35 Ca 0.31 -0.78 0.09 0.00 0.02 0.00 0.00 56.10 55.75 1a4k s TRP 35 Cb -0.07 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.80 1a4k s TRP 35 CO 0.21 -0.32 -0.22 0.71 0.02 0.00 0.00 176.95 177.35 1a4k s TYR 36 N 0.36 1.98 -0.09 -1.98 1.51 -0.18 -0.24 117.35 118.72 1a4k s TYR 36 Ca -0.14 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.55 1a4k s TYR 36 Cb -0.16 -1.06 -0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1a4k s TYR 36 CO 0.06 0.29 -0.23 -1.17 -1.11 0.00 0.00 175.55 173.39 1a4k s LEU 37 N -2.13 2.03 -0.39 -1.29 2.96 -0.08 -1.38 118.68 118.40 1a4k s LEU 37 Ca 0.11 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1a4k s LEU 37 Cb -0.09 -1.32 0.11 0.00 0.50 0.00 0.00 46.19 45.39 1a4k s LEU 37 CO 0.06 0.16 0.11 -1.58 -1.32 0.00 0.00 176.35 173.77 1a4k s GLN 38 N 0.28 1.59 0.76 1.98 0.74 0.80 -0.33 119.66 125.49 1a4k s GLN 38 Ca -0.15 -2.06 -0.11 0.00 0.05 0.00 0.00 55.36 53.09 1a4k s GLN 38 Cb -0.17 -3.21 0.05 0.00 1.10 0.00 0.00 33.01 30.78 1a4k s GLN 38 CO 0.07 -0.99 1.09 0.15 -0.55 0.00 0.00 175.29 175.07 1a4k s LYS 39 N 0.60 2.34 0.17 1.67 1.02 -1.26 -1.24 119.74 123.04 1a4k s LYS 39 Ca 0.13 1.16 -0.34 0.00 0.02 0.00 0.00 55.97 56.94 1a4k s LYS 39 Cb -0.21 -1.91 -0.14 0.00 -0.52 0.00 0.00 37.83 35.05 1a4k s LYS 39 CO -0.06 -1.58 1.51 -2.30 -0.92 0.00 0.00 175.35 172.00 1a4k n PRO 40 N -3.43 2.00 -3.59 -1.68 -0.02 -1.26 -2.31 135.00 124.71 1a4k n PRO 40 Ca 0.09 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 62.09 1a4k n PRO 40 Cb 0.53 -2.45 0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1a4k n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a4k n GLY 41 N 3.01 -0.36 3.58 -1.23 0.00 -1.26 -4.98 105.19 103.95 1a4k n GLY 41 Ca 0.16 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1a4k n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a4k s GLN 42 N -5.80 1.46 0.38 1.61 -0.21 -0.98 -5.17 119.66 110.96 1a4k s GLN 42 Ca 0.10 -0.82 -0.04 0.00 0.02 0.00 0.00 55.36 54.61 1a4k s GLN 42 Cb -0.05 0.55 -0.04 0.00 1.00 0.00 0.00 33.01 34.47 1a4k s GLN 42 CO 0.77 -0.64 0.66 -1.12 -2.12 0.00 0.00 175.29 172.84 1a4k s SER 43 N -2.86 6.36 0.63 5.90 0.01 -1.26 -4.60 113.70 117.87 1a4k s SER 43 Ca 0.08 0.78 -0.17 0.00 1.31 0.00 0.00 55.95 57.95 1a4k s SER 43 Cb -0.02 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 1a4k s SER 43 CO -0.02 -0.37 1.19 -2.84 0.41 0.00 0.00 173.24 171.60 1a4k s PRO 44 N -4.16 2.79 -0.03 12.44 0.02 -1.26 -4.48 135.00 140.31 1a4k s PRO 44 Ca 0.45 1.73 0.04 0.00 0.02 0.00 0.00 61.00 63.24 1a4k s PRO 44 Cb -0.10 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 1a4k s PRO 44 CO 0.36 -1.33 -0.15 0.15 -0.33 0.00 0.00 177.00 175.70 1a4k s LYS 45 N -3.58 1.49 0.23 5.54 3.01 0.55 -4.94 119.74 122.04 1a4k s LYS 45 Ca 0.75 -0.55 -0.30 0.00 -1.01 0.00 0.00 55.97 54.86 1a4k s LYS 45 Cb -0.28 -1.35 -0.09 0.00 -1.01 0.00 0.00 37.83 35.10 1a4k s LYS 45 CO 0.37 0.26 1.23 -1.17 0.51 0.00 0.00 175.35 176.55 1a4k s LEU 46 N -0.08 4.46 -0.02 3.17 2.96 -1.26 -0.90 118.68 127.01 1a4k s LEU 46 Ca -0.00 2.38 -0.06 0.00 -0.22 0.00 0.00 54.13 56.23 1a4k s LEU 46 Cb -0.09 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 1a4k s LEU 46 CO 0.01 -0.41 -0.11 0.18 -1.32 0.00 0.00 176.35 174.70 1a4k n LEU 47 N 1.97 1.07 -4.24 -0.68 4.77 0.67 -4.77 117.00 115.80 1a4k n LEU 47 Ca 0.03 0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 1a4k n LEU 47 Cb 0.44 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 1a4k n LEU 47 CO 0.57 -0.53 -0.55 -0.63 -1.33 0.00 0.00 177.39 174.92 1a4k s ILE 48 N -2.01 1.92 0.21 -0.08 -1.09 -1.14 0.27 121.20 119.27 1a4k s ILE 48 Ca -0.09 -0.99 0.11 0.00 -2.23 0.00 0.00 60.65 57.45 1a4k s ILE 48 Cb 0.01 -1.63 -0.05 0.00 -1.58 0.00 0.00 42.46 39.22 1a4k s ILE 48 CO 0.14 0.54 -0.23 -0.72 -1.23 0.00 0.00 174.94 173.44 1a4k s TYR 49 N -0.11 2.26 -1.14 3.97 -0.85 0.11 -0.35 117.35 121.24 1a4k s TYR 49 Ca -0.04 -0.36 -0.27 0.00 -0.52 0.00 0.00 57.07 55.88 1a4k s TYR 49 Cb -0.13 -1.08 0.03 0.00 0.38 0.00 0.00 41.96 41.15 1a4k s TYR 49 CO 0.03 0.54 0.71 1.63 -1.52 0.00 0.00 175.55 176.94 1a4k n LYS 50 N 0.04 -0.65 0.00 -3.49 5.02 -1.15 -1.32 118.16 116.61 1a4k n LYS 50 Ca -0.11 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1a4k n LYS 50 Cb 0.57 -2.97 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1a4k n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a4k n VAL 51 N -4.50 0.00 -0.22 -0.18 0.31 0.70 -3.94 118.33 110.50 1a4k n VAL 51 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1a4k n VAL 51 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1a4k n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1a4k n SER 52 N 2.28 1.00 -4.59 4.52 3.41 -1.21 -3.76 113.62 115.27 1a4k n SER 52 Ca 0.00 -1.22 -0.42 0.00 -0.26 0.00 0.00 58.87 56.97 1a4k n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1a4k n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1a4k s ASN 53 N -0.22 6.57 0.22 4.04 0.01 -0.43 -4.54 114.94 120.59 1a4k s ASN 53 Ca 0.00 0.36 -0.30 0.00 -0.71 0.00 0.00 52.86 52.21 1a4k s ASN 53 Cb 0.00 -2.41 -0.10 0.00 0.41 0.00 0.00 41.25 39.15 1a4k s ASN 53 CO 0.00 -0.79 1.41 -0.13 -1.51 0.00 0.00 177.10 176.08 1a4k s ARG 54 N 3.22 4.30 0.66 -0.60 0.52 -1.26 0.09 118.95 125.88 1a4k s ARG 54 Ca 0.33 2.22 -0.10 0.00 -0.52 0.00 0.00 55.73 57.66 1a4k s ARG 54 Cb -0.13 -3.14 -0.00 0.00 0.52 0.00 0.00 34.95 32.20 1a4k s ARG 54 CO 0.18 -0.38 1.03 0.12 0.02 0.00 0.00 175.30 176.27 1a4k s PHE 55 N 0.16 3.38 0.16 -0.53 5.36 0.14 -4.88 117.98 121.77 1a4k s PHE 55 Ca 0.60 1.01 -0.31 0.00 -0.96 0.00 0.00 56.93 57.26 1a4k s PHE 55 Cb -0.40 -2.90 -0.11 0.00 -0.34 0.00 0.00 43.02 39.27 1a4k s PHE 55 CO 0.40 -0.97 1.77 -1.54 -1.46 0.00 0.00 175.22 173.42 1a4k s SER 56 N -4.30 6.41 0.00 6.13 1.04 -1.26 -1.97 113.70 119.75 1a4k s SER 56 Ca 0.56 2.80 0.00 0.00 0.48 0.00 0.00 55.95 59.79 1a4k s SER 56 Cb -0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1a4k s SER 56 CO 0.51 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1a4k n GLY 57 N 4.10 0.76 3.60 7.32 0.00 -1.26 -5.05 105.19 114.67 1a4k n GLY 57 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1a4k n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4k s VAL 58 N -2.53 5.00 0.89 1.61 1.01 -0.83 -5.05 120.40 120.50 1a4k s VAL 58 Ca 0.00 0.84 -0.15 0.00 0.00 0.00 0.00 61.98 62.68 1a4k s VAL 58 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1a4k s VAL 58 CO 0.00 -0.05 0.19 -0.81 0.00 0.00 0.00 175.10 174.42 1a4k n PRO 59 N 5.73 -0.08 0.00 2.72 -0.04 -1.26 -4.84 135.00 137.24 1a4k n PRO 59 Ca -0.02 0.01 0.14 0.00 -0.04 0.00 0.00 63.50 63.59 1a4k n PRO 59 Cb 0.49 -1.66 0.74 0.00 -0.04 0.00 0.00 33.50 33.04 1a4k n PRO 59 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a4k n ASP 60 N -0.01 0.00 0.27 3.54 8.00 -1.26 -3.04 116.55 124.06 1a4k n ASP 60 Ca 0.06 -0.16 0.16 0.00 0.71 0.00 0.00 54.79 55.55 1a4k n ASP 60 Cb 0.53 -0.27 0.71 0.00 -0.02 0.00 0.00 41.12 42.06 1a4k n ASP 60 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1a4k h ARG 61 N 0.00 0.00 -5.98 -1.24 3.08 -1.89 -3.42 114.38 104.94 1a4k h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1a4k h ARG 61 Cb 0.27 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1a4k h ARG 61 CO 0.00 0.06 -0.07 -0.06 -1.07 0.00 0.00 179.97 178.82 1a4k s PHE 62 N -3.78 3.64 0.03 3.04 0.08 -1.17 -1.19 117.98 118.63 1a4k s PHE 62 Ca -0.00 1.09 -0.20 0.00 0.12 0.00 0.00 56.93 57.93 1a4k s PHE 62 Cb 0.10 -2.55 0.04 0.00 -0.57 0.00 0.00 43.02 40.05 1a4k s PHE 62 CO 0.55 0.34 0.46 -1.54 -0.10 0.00 0.00 175.22 174.94 1a4k s SER 63 N -0.09 -0.36 0.08 1.36 1.04 -0.65 -4.93 113.70 110.15 1a4k s SER 63 Ca 0.29 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.88 1a4k s SER 63 Cb -0.17 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1a4k s SER 63 CO 0.15 -0.65 -0.08 -0.83 0.98 0.00 0.00 173.24 172.81 1a4k s GLY 64 N -1.82 0.73 0.33 7.32 0.00 -1.26 -0.02 107.32 112.61 1a4k s GLY 64 Ca -0.07 -1.15 -0.03 0.00 0.00 0.00 0.00 44.72 43.46 1a4k s GLY 64 CO 0.00 -1.23 0.46 -1.35 0.00 0.00 0.00 173.10 170.98 1a4k s SER 65 N -2.48 0.79 0.00 1.64 1.04 0.63 -4.22 113.70 111.10 1a4k s SER 65 Ca 0.04 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1a4k s SER 65 Cb -0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1a4k s SER 65 CO -0.02 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.55 1a4k n GLY 66 N -0.53 2.86 3.44 7.32 0.00 -1.26 -0.85 105.19 116.16 1a4k n GLY 66 Ca 0.01 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 1a4k n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a4k s SER 67 N 0.00 -0.52 0.82 1.61 1.04 -0.11 -4.93 113.70 111.60 1a4k s SER 67 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1a4k s SER 67 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1a4k s SER 67 CO 0.00 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1a4k n GLY 68 N -0.34 0.46 0.00 7.32 0.00 -1.26 -1.66 105.19 109.71 1a4k n GLY 68 Ca -0.15 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1a4k n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a4k n THR 69 N 0.00 0.16 -4.21 2.61 -2.24 -1.26 0.23 114.28 109.57 1a4k n THR 69 Ca 0.00 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 1a4k n THR 69 Cb 0.00 1.05 -0.16 0.00 -2.10 0.00 0.00 70.33 69.12 1a4k n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a4k s ASP 70 N -0.16 2.93 0.12 3.42 2.15 -0.66 -1.55 116.67 122.91 1a4k s ASP 70 Ca 0.00 -0.57 0.04 0.00 0.43 0.00 0.00 52.55 52.44 1a4k s ASP 70 Cb 0.00 -1.35 -0.04 0.00 -0.30 0.00 0.00 42.92 41.23 1a4k s ASP 70 CO 0.00 -0.00 -0.10 -0.36 -0.17 0.00 0.00 175.17 174.54 1a4k s PHE 71 N 1.24 1.12 -0.03 -5.34 0.40 -0.53 -0.94 117.98 113.91 1a4k s PHE 71 Ca 0.02 -0.74 -0.03 0.00 -0.60 0.00 0.00 56.93 55.59 1a4k s PHE 71 Cb -0.14 -0.60 0.01 0.00 0.51 0.00 0.00 43.02 42.81 1a4k s PHE 71 CO -0.09 0.01 0.08 0.99 0.70 0.00 0.00 175.22 176.91 1a4k s THR 72 N -2.98 -0.01 -0.01 0.64 2.01 -0.03 -1.58 115.64 113.68 1a4k s THR 72 Ca 0.11 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.19 1a4k s THR 72 Cb 0.01 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.37 1a4k s THR 72 CO -0.01 0.01 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.51 1a4k s LEU 73 N 0.14 2.40 -0.02 4.42 2.96 0.37 -0.26 118.68 128.69 1a4k s LEU 73 Ca -0.01 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1a4k s LEU 73 Cb -0.02 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.24 1a4k s LEU 73 CO -0.00 0.31 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.73 1a4k s LYS 74 N -0.90 0.69 -0.31 1.98 1.02 0.98 -1.26 119.74 121.94 1a4k s LYS 74 Ca 0.12 -0.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.89 1a4k s LYS 74 Cb -0.10 -0.68 0.05 0.00 -0.52 0.00 0.00 37.83 36.58 1a4k s LYS 74 CO 0.01 0.06 0.01 0.42 -0.92 0.00 0.00 175.35 174.94 1a4k s ILE 75 N 0.27 3.08 0.10 2.17 1.01 -0.21 -1.63 121.20 125.98 1a4k s ILE 75 Ca -0.03 -1.37 -0.22 0.00 0.00 0.00 0.00 60.65 59.03 1a4k s ILE 75 Cb -0.08 -2.77 -0.07 0.00 0.01 0.00 0.00 42.46 39.55 1a4k s ILE 75 CO -0.00 -0.12 0.67 -0.44 0.00 0.00 0.00 174.94 175.04 1a4k s SER 76 N 1.28 7.19 -0.40 3.58 0.01 -0.34 -0.85 113.70 124.18 1a4k s SER 76 Ca -0.05 1.42 -0.23 0.00 1.31 0.00 0.00 55.95 58.40 1a4k s SER 76 Cb -0.20 -2.42 0.03 0.00 0.21 0.00 0.00 66.02 63.64 1a4k s SER 76 CO -0.01 0.22 0.54 0.54 0.41 0.00 0.00 173.24 174.94 1a4k n ARG 77 N 1.84 -2.16 -2.16 12.44 1.74 -1.20 -4.80 116.66 122.37 1a4k n ARG 77 Ca -0.08 1.82 -0.39 0.00 -0.77 0.00 0.00 57.85 58.43 1a4k n ARG 77 Cb 0.50 -3.91 -0.01 0.00 -1.02 0.00 0.00 32.46 28.02 1a4k n ARG 77 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a4k s VAL 78 N -1.97 2.85 0.40 1.55 1.01 0.10 -4.63 120.40 119.72 1a4k s VAL 78 Ca 0.27 0.75 0.05 0.00 0.00 0.00 0.00 61.98 63.04 1a4k s VAL 78 Cb -0.05 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1a4k s VAL 78 CO 0.76 0.10 0.03 -1.61 0.00 0.00 0.00 175.10 174.38 1a4k s GLU 79 N -2.23 1.90 0.32 2.72 2.02 -1.26 0.16 118.70 122.33 1a4k s GLU 79 Ca 0.56 -2.10 0.08 0.00 0.02 0.00 0.00 54.97 53.53 1a4k s GLU 79 Cb -0.35 -1.30 0.55 0.00 0.10 0.00 0.00 34.13 33.13 1a4k s GLU 79 CO 0.45 -0.18 1.76 0.00 0.02 0.00 0.00 175.26 177.31 1a4k h ALA 80 N 1.81 1.22 0.00 5.21 0.00 -1.96 -2.40 119.26 123.14 1a4k h ALA 80 Ca -0.42 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1a4k h ALA 80 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1a4k h ALA 80 CO 0.74 0.53 0.00 0.93 0.00 0.00 0.00 179.25 181.45 1a4k h GLU 81 N 0.18 0.00 -0.00 0.00 5.08 -1.96 -2.44 114.58 115.44 1a4k h GLU 81 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1a4k h GLU 81 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1a4k h GLU 81 CO 0.05 0.00 -0.04 -0.25 -1.00 0.00 0.00 179.01 177.77 1a4k n ASP 82 N -2.48 0.40 -4.76 1.42 8.00 -0.90 -4.91 116.55 113.32 1a4k n ASP 82 Ca -0.02 -0.81 -0.41 0.00 0.71 0.00 0.00 54.79 54.27 1a4k n ASP 82 Cb 0.06 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1a4k n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a4k s LEU 83 N -2.25 4.37 0.00 0.64 1.43 -0.92 -4.85 118.68 117.10 1a4k s LEU 83 Ca 0.37 2.83 0.00 0.00 -1.03 0.00 0.00 54.13 56.30 1a4k s LEU 83 Cb 0.21 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1a4k s LEU 83 CO 0.41 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1a4k n GLY 84 N 1.49 -0.57 3.54 -3.19 0.00 -1.26 -4.45 105.19 100.76 1a4k n GLY 84 Ca 0.04 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1a4k n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4k s VAL 85 N -2.43 4.21 -0.21 1.61 1.01 -0.38 -2.11 120.40 122.11 1a4k s VAL 85 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1a4k s VAL 85 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1a4k s VAL 85 CO 0.00 0.47 0.09 -0.31 0.00 0.00 0.00 175.10 175.35 1a4k s TYR 86 N 0.43 3.25 0.00 5.22 2.02 0.61 -0.14 117.35 128.75 1a4k s TYR 86 Ca -0.01 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1a4k s TYR 86 Cb -0.14 -2.15 -0.00 0.00 -0.40 0.00 0.00 41.96 39.27 1a4k s TYR 86 CO 0.02 0.08 -0.00 -0.59 -1.57 0.00 0.00 175.55 173.48 1a4k s PHE 87 N 0.69 0.03 0.44 2.71 -0.12 -0.48 -0.73 117.98 120.52 1a4k s PHE 87 Ca 0.05 -0.02 -0.07 0.00 -0.05 0.00 0.00 56.93 56.83 1a4k s PHE 87 Cb -0.13 -0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.19 1a4k s PHE 87 CO 0.02 -0.01 0.76 0.00 -0.05 0.00 0.00 175.22 175.94 1a4k s SER 89 N -3.70 -0.12 -0.09 0.00 0.15 0.06 -0.99 113.70 109.01 1a4k s SER 89 Ca 0.48 0.28 -0.00 0.00 0.70 0.00 0.00 55.95 57.41 1a4k s SER 89 Cb -0.10 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.40 1a4k s SER 89 CO 0.39 -0.09 -0.05 -1.58 1.20 0.00 0.00 173.24 173.10 1a4k s GLN 90 N 0.60 2.97 -0.05 5.44 -0.44 -0.28 -0.40 119.66 127.50 1a4k s GLN 90 Ca -0.04 -0.52 0.07 0.00 -2.50 0.00 0.00 55.36 52.36 1a4k s GLN 90 Cb -0.06 -2.68 0.11 0.00 -1.64 0.00 0.00 33.01 28.73 1a4k s GLN 90 CO -0.03 0.58 1.05 0.28 0.50 0.00 0.00 175.29 177.67 1a4k n VAL 91 N 2.49 0.70 0.11 1.34 0.31 -0.30 -2.12 118.33 120.86 1a4k n VAL 91 Ca -0.18 -0.84 -0.23 0.00 -0.01 0.00 0.00 64.34 63.09 1a4k n VAL 91 Cb 0.53 0.24 -0.15 0.00 -0.91 0.00 0.00 33.84 33.55 1a4k n VAL 91 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1a4k h THR 92 N 4.33 1.35 -2.29 2.52 2.02 -1.86 -3.47 112.91 115.51 1a4k h THR 92 Ca 0.00 -2.59 -0.52 0.00 0.77 0.00 0.00 66.41 64.06 1a4k h THR 92 Cb 1.24 3.01 -0.06 0.00 -1.74 0.00 0.00 68.15 70.61 1a4k h THR 92 CO 0.00 0.77 -0.55 -1.00 0.37 0.00 0.00 175.52 175.11 1a4k s HIS 93 N -2.64 3.05 0.00 3.16 3.76 -1.26 -4.99 115.29 116.37 1a4k s HIS 93 Ca -0.10 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1a4k s HIS 93 Cb 0.03 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1a4k s HIS 93 CO 0.91 0.54 0.00 0.28 -0.85 0.00 0.00 174.74 175.62 1a4k n VAL 94 N -0.99 0.00 -3.54 -0.90 0.31 -1.26 -3.78 118.33 108.17 1a4k n VAL 94 Ca -0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.88 1a4k n VAL 94 Cb 0.57 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.44 1a4k n VAL 94 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1a4k s PRO 95 N 0.00 3.97 0.53 5.55 0.04 -1.26 -5.03 135.00 138.79 1a4k s PRO 95 Ca 0.00 0.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.10 1a4k s PRO 95 Cb 0.00 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 1a4k s PRO 95 CO 0.00 0.56 1.38 -1.25 0.04 0.00 0.00 177.00 177.72 1a4k s PRO 96 N -0.58 3.23 0.19 0.56 0.04 -1.25 -4.97 135.00 132.23 1a4k s PRO 96 Ca 0.21 2.29 0.05 0.00 0.04 0.00 0.00 61.00 63.59 1a4k s PRO 96 Cb -0.15 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 1a4k s PRO 96 CO 0.10 -1.13 -0.08 0.95 0.04 0.00 0.00 177.00 176.87 1a4k s THR 97 N -1.28 1.29 0.31 1.26 -4.23 -0.90 -4.98 115.64 107.12 1a4k s THR 97 Ca 0.70 -2.09 0.08 0.00 -1.18 0.00 0.00 61.69 59.20 1a4k s THR 97 Cb -0.41 -2.05 -0.06 0.00 1.34 0.00 0.00 72.50 71.32 1a4k s THR 97 CO 0.50 -0.58 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.55 1a4k s PHE 98 N -3.25 2.20 0.51 3.99 0.40 -1.26 -1.13 117.98 119.44 1a4k s PHE 98 Ca 0.22 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1a4k s PHE 98 Cb 0.03 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.31 1a4k s PHE 98 CO 0.05 0.46 0.77 0.20 0.70 0.00 0.00 175.22 177.39 1a4k s GLY 99 N -3.53 1.59 0.52 4.36 0.00 -0.16 -4.40 107.32 105.70 1a4k s GLY 99 Ca 0.31 -0.92 0.18 0.00 0.00 0.00 0.00 44.72 44.29 1a4k s GLY 99 CO 0.14 -0.70 2.14 -1.33 0.00 0.00 0.00 173.10 173.36 1a4k h GLY 100 N 0.15 0.00 0.00 0.20 0.00 -1.91 -3.44 103.07 98.07 1a4k h GLY 100 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1a4k h GLY 100 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.73 1a4k n GLY 101 N -1.41 2.77 2.84 4.60 0.00 -1.26 -5.03 105.19 107.70 1a4k n GLY 101 Ca -0.03 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 1a4k n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4k s THR 102 N -2.85 -0.11 -0.36 2.61 2.01 0.09 -4.61 115.64 112.43 1a4k s THR 102 Ca 0.00 0.26 -0.15 0.00 0.31 0.00 0.00 61.69 62.11 1a4k s THR 102 Cb 0.00 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 1a4k s THR 102 CO 0.00 0.11 0.35 -0.75 -0.69 0.00 0.00 174.62 173.64 1a4k s LYS 103 N 1.56 3.45 -0.08 4.92 2.20 -0.22 -0.29 119.74 131.28 1a4k s LYS 103 Ca -0.04 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 1a4k s LYS 103 Cb -0.12 -3.84 -0.02 0.00 -1.51 0.00 0.00 37.83 32.34 1a4k s LYS 103 CO -0.05 -0.58 1.01 -1.17 -0.36 0.00 0.00 175.35 174.21 1a4k s LEU 104 N 1.98 4.27 -0.04 5.43 2.96 -0.90 -1.42 118.68 130.96 1a4k s LEU 104 Ca 0.11 1.57 0.06 0.00 -0.22 0.00 0.00 54.13 55.65 1a4k s LEU 104 Cb -0.17 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1a4k s LEU 104 CO 0.12 -0.42 -0.23 -1.83 -1.32 0.00 0.00 176.35 172.66 1a4k s GLU 105 N 1.84 2.33 -0.33 1.98 -1.05 -0.48 -4.19 118.70 118.80 1a4k s GLU 105 Ca 0.49 -0.87 -0.24 0.00 -0.15 0.00 0.00 54.97 54.21 1a4k s GLU 105 Cb -0.19 -2.15 0.01 0.00 -0.44 0.00 0.00 34.13 31.35 1a4k s GLU 105 CO 0.20 0.52 0.80 0.42 0.95 0.00 0.00 175.26 178.15 1a4k s ILE 106 N -0.50 4.75 0.12 1.83 -1.09 -1.26 -0.57 121.20 124.48 1a4k s ILE 106 Ca 0.06 1.08 -0.30 0.00 -2.23 0.00 0.00 60.65 59.27 1a4k s ILE 106 Cb -0.11 -4.19 -0.07 0.00 -1.58 0.00 0.00 42.46 36.51 1a4k s ILE 106 CO 0.01 -0.35 1.13 -0.54 -1.23 0.00 0.00 174.94 173.95 1a4k s LYS 107 N 3.07 4.53 0.18 2.79 1.02 0.18 -4.86 119.74 126.65 1a4k s LYS 107 Ca 0.33 1.72 -0.13 0.00 0.02 0.00 0.00 55.97 57.91 1a4k s LYS 107 Cb -0.14 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1a4k s LYS 107 CO 0.15 -0.05 0.39 -0.98 -0.92 0.00 0.00 175.35 173.94 1a4k s ARG 108 N 0.23 1.26 0.52 1.68 1.04 -1.26 -4.17 118.95 118.24 1a4k s ARG 108 Ca 0.53 -1.04 -0.22 0.00 -1.04 0.00 0.00 55.73 53.95 1a4k s ARG 108 Cb -0.29 0.44 -0.06 0.00 -2.04 0.00 0.00 34.95 33.00 1a4k s ARG 108 CO 0.32 -0.50 1.28 0.25 -0.04 0.00 0.00 175.30 176.61 1a4k n THR 109 N -0.27 3.42 -1.64 4.99 -2.24 -1.26 -4.89 114.28 112.38 1a4k n THR 109 Ca -0.08 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 1a4k n THR 109 Cb 0.63 -1.57 -0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1a4k n THR 109 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1a4k n VAL 110 N -0.88 2.15 -3.54 2.28 0.31 -1.26 -4.84 118.33 112.56 1a4k n VAL 110 Ca 0.10 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.73 1a4k n VAL 110 Cb 0.43 -1.30 -0.14 0.00 -0.91 0.00 0.00 33.84 31.92 1a4k n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a4k s ALA 111 N -1.14 -0.10 0.57 3.52 0.00 0.76 -4.92 121.76 120.45 1a4k s ALA 111 Ca 0.59 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 1a4k s ALA 111 Cb -0.60 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1a4k s ALA 111 CO 0.60 -1.13 1.32 0.00 0.00 0.00 0.00 175.76 176.55 1a4k s ALA 112 N 2.28 2.69 0.45 0.00 0.00 -1.26 -1.19 121.76 124.73 1a4k s ALA 112 Ca 0.05 1.26 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 1a4k s ALA 112 Cb -0.15 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 1a4k s ALA 112 CO -0.11 -1.38 0.81 -1.25 0.00 0.00 0.00 175.76 173.83 1a4k s PRO 113 N -3.05 3.71 -0.30 0.00 0.04 -1.26 -4.62 135.00 129.52 1a4k s PRO 113 Ca 0.74 0.45 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 1a4k s PRO 113 Cb -0.38 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 1a4k s PRO 113 CO 0.44 -0.14 0.39 -1.12 0.04 0.00 0.00 177.00 176.61 1a4k s SER 114 N -3.49 6.24 -0.17 6.66 0.01 -0.59 -4.82 113.70 117.54 1a4k s SER 114 Ca 0.51 0.09 -0.12 0.00 1.31 0.00 0.00 55.95 57.75 1a4k s SER 114 Cb -0.10 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 1a4k s SER 114 CO 0.37 -0.28 0.21 -0.69 0.41 0.00 0.00 173.24 173.26 1a4k s VAL 115 N 2.11 5.36 0.11 3.43 1.01 -1.26 -1.44 120.40 129.73 1a4k s VAL 115 Ca 0.15 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1a4k s VAL 115 Cb -0.16 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1a4k s VAL 115 CO 0.11 0.44 -0.16 -0.36 0.00 0.00 0.00 175.10 175.13 1a4k s PHE 116 N 0.23 1.46 -0.03 5.22 0.40 -0.56 -4.99 117.98 119.72 1a4k s PHE 116 Ca 0.13 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 1a4k s PHE 116 Cb -0.12 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.63 1a4k s PHE 116 CO 0.02 0.15 -0.10 -1.50 0.70 0.00 0.00 175.22 174.48 1a4k s ILE 117 N -1.75 0.90 -0.13 0.64 2.07 -1.26 -0.35 121.20 121.32 1a4k s ILE 117 Ca 0.06 -0.43 0.02 0.00 -1.41 0.00 0.00 60.65 58.90 1a4k s ILE 117 Cb -0.07 -0.79 0.01 0.00 0.13 0.00 0.00 42.46 41.74 1a4k s ILE 117 CO 0.03 0.27 -0.20 -0.36 -1.91 0.00 0.00 174.94 172.78 1a4k s PHE 118 N 0.15 2.46 0.64 3.50 0.40 0.18 -5.00 117.98 120.30 1a4k s PHE 118 Ca -0.03 -1.21 -0.11 0.00 -0.60 0.00 0.00 56.93 54.98 1a4k s PHE 118 Cb -0.09 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1a4k s PHE 118 CO 0.01 -0.56 1.04 -1.25 0.70 0.00 0.00 175.22 175.16 1a4k s PRO 119 N 0.83 3.46 0.81 0.24 0.05 -1.26 -1.43 135.00 137.70 1a4k s PRO 119 Ca -0.08 0.70 -0.14 0.00 0.05 0.00 0.00 61.00 61.53 1a4k s PRO 119 Cb -0.15 -2.07 0.04 0.00 0.05 0.00 0.00 34.50 32.36 1a4k s PRO 119 CO -0.01 -0.65 0.87 -0.35 0.05 0.00 0.00 177.00 176.90 1a4k n PRO 120 N -2.80 0.15 -2.37 0.56 -0.04 -1.15 -4.85 135.00 124.51 1a4k n PRO 120 Ca 0.06 0.11 -0.28 0.00 -0.04 0.00 0.00 63.50 63.36 1a4k n PRO 120 Cb 0.55 -2.16 0.02 0.00 -0.04 0.00 0.00 33.50 31.86 1a4k n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1a4k s SER 121 N -1.90 5.92 -0.01 3.54 1.04 -1.26 -4.94 113.70 116.08 1a4k s SER 121 Ca 0.68 0.93 -0.23 0.00 0.48 0.00 0.00 55.95 57.81 1a4k s SER 121 Cb -0.30 -2.03 -0.19 0.00 0.10 0.00 0.00 66.02 63.60 1a4k s SER 121 CO 0.56 -0.88 1.21 0.44 0.98 0.00 0.00 173.24 175.55 1a4k h ASP 122 N -0.09 0.21 -0.99 7.02 3.32 -1.98 0.19 116.42 124.10 1a4k h ASP 122 Ca -0.46 -0.59 0.12 0.00 0.02 0.00 0.00 57.03 56.13 1a4k h ASP 122 Cb 1.23 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.63 1a4k h ASP 122 CO 0.61 0.76 0.62 1.05 -1.72 0.00 0.00 179.24 180.56 1a4k h GLU 123 N -0.33 0.94 -0.23 3.56 9.09 -1.97 0.47 114.58 126.12 1a4k h GLU 123 Ca -0.00 -0.06 -0.19 0.00 0.05 0.00 0.00 59.36 59.16 1a4k h GLU 123 Cb 0.73 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 1a4k h GLU 123 CO 0.03 0.62 -0.61 0.37 0.05 0.00 0.00 179.01 179.47 1a4k h GLN 124 N 0.97 0.78 0.36 1.06 4.15 -1.85 -3.21 115.11 117.36 1a4k h GLN 124 Ca 0.49 -0.53 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1a4k h GLN 124 Cb 0.50 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1a4k h GLN 124 CO -0.27 1.15 -0.18 -0.07 -1.93 0.00 0.00 178.83 177.54 1a4k h LEU 125 N 0.58 -0.41 0.00 -2.39 3.38 0.58 -2.38 115.31 114.67 1a4k h LEU 125 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1a4k h LEU 125 Cb 1.21 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1a4k h LEU 125 CO 0.13 -0.15 0.00 2.29 0.09 0.00 0.00 178.44 180.80 1a4k n LYS 126 N -5.22 0.00 0.00 1.13 2.85 0.15 -0.19 118.16 116.88 1a4k n LYS 126 Ca -0.10 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.20 1a4k n LYS 126 Cb 0.26 -1.36 0.02 0.00 -0.65 0.00 0.00 35.03 33.29 1a4k n LYS 126 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1a4k n SER 127 N -0.80 1.37 0.00 -5.58 3.41 -0.90 -5.02 113.62 106.10 1a4k n SER 127 Ca 0.00 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1a4k n SER 127 Cb 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1a4k n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a4k n GLY 128 N 0.65 2.51 3.23 5.00 0.00 0.74 -5.08 105.19 112.24 1a4k n GLY 128 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1a4k n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a4k s THR 129 N -2.31 1.31 -0.09 2.61 2.01 -1.22 -0.34 115.64 117.61 1a4k s THR 129 Ca 0.00 -1.64 0.04 0.00 0.31 0.00 0.00 61.69 60.40 1a4k s THR 129 Cb 0.00 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 1a4k s THR 129 CO 0.00 -0.37 -0.23 0.00 -0.69 0.00 0.00 174.62 173.33 1a4k s ALA 130 N -1.95 2.24 -0.21 7.40 0.00 0.18 -3.62 121.76 125.80 1a4k s ALA 130 Ca 0.07 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1a4k s ALA 130 Cb -0.06 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.28 1a4k s ALA 130 CO 0.03 0.33 -0.12 -1.12 0.00 0.00 0.00 175.76 174.88 1a4k s SER 131 N 0.14 3.59 -0.27 0.00 0.01 -1.26 -1.39 113.70 114.53 1a4k s SER 131 Ca -0.12 -0.96 -0.09 0.00 1.31 0.00 0.00 55.95 56.09 1a4k s SER 131 Cb -0.16 -1.36 -0.03 0.00 0.21 0.00 0.00 66.02 64.68 1a4k s SER 131 CO 0.07 -0.13 0.12 -0.69 0.41 0.00 0.00 173.24 173.02 1a4k s VAL 132 N 1.30 4.69 -0.16 3.43 1.01 0.25 -2.95 120.40 127.98 1a4k s VAL 132 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1a4k s VAL 132 Cb -0.16 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1a4k s VAL 132 CO -0.08 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 174.60 1a4k s VAL 133 N 1.67 4.15 -0.14 2.92 1.01 -0.52 -0.56 120.40 128.94 1a4k s VAL 133 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1a4k s VAL 133 Cb -0.16 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1a4k s VAL 133 CO 0.06 0.49 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 1a4k s LEU 135 N 0.51 2.36 -0.44 0.00 2.96 0.52 0.03 118.68 124.63 1a4k s LEU 135 Ca -0.10 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.27 1a4k s LEU 135 Cb -0.16 -1.50 0.11 0.00 0.50 0.00 0.00 46.19 45.13 1a4k s LEU 135 CO 0.04 0.14 0.27 -0.76 -1.32 0.00 0.00 176.35 174.72 1a4k s LEU 136 N 0.50 5.41 -0.02 -0.68 1.02 -0.33 -1.49 118.68 123.09 1a4k s LEU 136 Ca -0.12 -1.89 -0.16 0.00 0.02 0.00 0.00 54.13 51.98 1a4k s LEU 136 Cb -0.17 -1.93 -0.05 0.00 0.02 0.00 0.00 46.19 44.06 1a4k s LEU 136 CO 0.05 -0.60 0.44 0.21 0.02 0.00 0.00 176.35 176.47 1a4k s ASN 137 N 2.24 6.81 -0.55 2.29 2.47 -0.52 -1.23 114.94 126.45 1a4k s ASN 137 Ca 0.06 0.96 -0.27 0.00 0.42 0.00 0.00 52.86 54.03 1a4k s ASN 137 Cb -0.24 -2.27 0.04 0.00 -1.45 0.00 0.00 41.25 37.33 1a4k s ASN 137 CO -0.02 0.24 0.65 0.59 -3.72 0.00 0.00 177.10 174.84 1a4k n ASN 138 N 2.28 -5.65 -4.42 -4.21 4.13 -1.03 -1.55 115.26 104.82 1a4k n ASN 138 Ca -0.12 -0.28 -0.21 0.00 1.68 0.00 0.00 54.58 55.66 1a4k n ASN 138 Cb 0.52 -2.12 -0.11 0.00 -1.54 0.00 0.00 39.78 36.53 1a4k n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1a4k s PHE 139 N -1.98 1.88 -0.28 3.10 -0.71 -0.01 -4.42 117.98 115.57 1a4k s PHE 139 Ca 0.27 -0.97 -0.24 0.00 -1.04 0.00 0.00 56.93 54.95 1a4k s PHE 139 Cb -0.03 -1.20 0.11 0.00 -1.21 0.00 0.00 43.02 40.69 1a4k s PHE 139 CO 0.87 -0.02 0.96 -0.47 -1.34 0.00 0.00 175.22 175.21 1a4k s TYR 140 N -3.35 -0.56 0.00 3.49 6.14 -0.33 -0.33 117.35 122.41 1a4k s TYR 140 Ca 0.36 1.34 0.00 0.00 0.64 0.00 0.00 57.07 59.41 1a4k s TYR 140 Cb 0.08 0.35 0.00 0.00 0.42 0.00 0.00 41.96 42.81 1a4k s TYR 140 CO 0.15 -0.27 0.00 -0.35 0.64 0.00 0.00 175.55 175.72 1a4k n PRO 141 N 2.43 -0.61 0.02 4.97 -0.04 -1.26 -0.17 135.00 140.33 1a4k n PRO 141 Ca -0.13 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.20 1a4k n PRO 141 Cb 0.56 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.94 1a4k n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1a4k h ARG 142 N 0.00 -0.01 -6.05 0.54 2.43 -1.98 -3.44 114.38 105.88 1a4k h ARG 142 Ca 0.00 0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 58.46 1a4k h ARG 142 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1a4k h ARG 142 CO 0.00 0.20 1.22 0.39 -1.51 0.00 0.00 179.97 180.27 1a4k n GLU 143 N -4.99 0.92 -3.76 0.20 4.71 -1.26 -4.93 120.64 111.53 1a4k n GLU 143 Ca -0.08 0.29 -0.13 0.00 -0.01 0.00 0.00 57.16 57.24 1a4k n GLU 143 Cb 0.13 -2.17 -0.11 0.00 -1.01 0.00 0.00 31.44 28.28 1a4k n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a4k s ALA 144 N 5.75 -0.74 -0.08 0.62 0.00 -1.26 -4.57 121.76 121.48 1a4k s ALA 144 Ca 1.07 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.96 1a4k s ALA 144 Cb -1.05 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1a4k s ALA 144 CO 0.58 -0.16 -0.11 0.21 0.00 0.00 0.00 175.76 176.28 1a4k s LYS 145 N 0.37 2.81 -0.11 0.00 2.36 -0.94 -5.00 119.74 119.24 1a4k s LYS 145 Ca -0.02 -0.64 0.00 0.00 -2.55 0.00 0.00 55.97 52.76 1a4k s LYS 145 Cb -0.03 -2.52 0.02 0.00 -1.05 0.00 0.00 37.83 34.25 1a4k s LYS 145 CO -0.02 0.53 -0.09 0.08 1.55 0.00 0.00 175.35 177.41 1a4k s VAL 146 N -0.48 1.07 -0.10 4.02 1.01 -1.26 -0.88 120.40 123.79 1a4k s VAL 146 Ca 0.06 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1a4k s VAL 146 Cb -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1a4k s VAL 146 CO 0.02 0.37 -0.20 -1.10 0.00 0.00 0.00 175.10 174.19 1a4k s GLN 147 N 1.50 3.00 -0.11 2.72 -0.21 -0.39 -4.94 119.66 121.22 1a4k s GLN 147 Ca 0.01 -0.81 -0.12 0.00 0.02 0.00 0.00 55.36 54.46 1a4k s GLN 147 Cb -0.13 -2.39 -0.05 0.00 1.00 0.00 0.00 33.01 31.45 1a4k s GLN 147 CO -0.06 0.28 0.28 -1.58 -2.12 0.00 0.00 175.29 172.08 1a4k s TRP 148 N 0.14 3.57 -0.09 0.91 0.52 -1.26 0.75 118.94 123.47 1a4k s TRP 148 Ca -0.10 0.68 -0.00 0.00 0.02 0.00 0.00 56.10 56.69 1a4k s TRP 148 Cb -0.16 -2.22 0.02 0.00 -1.15 0.00 0.00 33.47 29.97 1a4k s TRP 148 CO 0.06 0.47 -0.06 0.15 0.02 0.00 0.00 176.95 177.60 1a4k s LYS 149 N -0.32 1.23 -0.08 4.98 1.02 0.18 0.12 119.74 126.86 1a4k s LYS 149 Ca 0.18 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.04 1a4k s LYS 149 Cb -0.14 -1.32 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 1a4k s LYS 149 CO 0.06 -0.22 -0.18 0.08 -0.92 0.00 0.00 175.35 174.17 1a4k s VAL 150 N 1.56 2.64 0.00 3.17 1.01 -0.47 -0.17 120.40 128.14 1a4k s VAL 150 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1a4k s VAL 150 Cb -0.13 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1a4k s VAL 150 CO -0.05 0.56 0.00 0.47 0.00 0.00 0.00 175.10 176.08 1a4k n ASP 151 N 2.99 -5.64 0.00 3.32 9.92 0.19 0.89 116.55 128.22 1a4k n ASP 151 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1a4k n ASP 151 Cb 0.52 -3.35 0.00 0.00 -0.64 0.00 0.00 41.12 37.66 1a4k n ASP 151 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1a4k n ASN 152 N -0.92 -2.05 -4.66 -2.24 4.05 -1.26 -4.98 115.26 103.20 1a4k n ASN 152 Ca 0.00 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.67 1a4k n ASN 152 Cb 0.46 -0.34 -0.09 0.00 1.23 0.00 0.00 39.78 41.04 1a4k n ASN 152 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a4k s ALA 153 N -2.00 3.58 -0.42 5.20 0.00 0.26 -4.99 121.76 123.39 1a4k s ALA 153 Ca 0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 1a4k s ALA 153 Cb 0.00 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 1a4k s ALA 153 CO 0.00 -0.06 2.23 -1.17 0.00 0.00 0.00 175.76 176.76 1a4k s LEU 154 N 0.80 3.41 0.67 0.00 2.96 -1.26 -1.37 118.68 123.89 1a4k s LEU 154 Ca 0.07 1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 55.04 1a4k s LEU 154 Cb -0.13 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.69 1a4k s LEU 154 CO 0.02 -2.46 1.22 -1.10 -1.32 0.00 0.00 176.35 172.71 1a4k s GLN 155 N 7.35 2.51 -0.20 1.98 -1.52 0.33 -4.97 119.66 125.14 1a4k s GLN 155 Ca 0.93 1.83 -0.09 0.00 -1.95 0.00 0.00 55.36 56.08 1a4k s GLN 155 Cb -0.21 -1.87 0.08 0.00 -0.22 0.00 0.00 33.01 30.78 1a4k s GLN 155 CO 0.29 -1.57 0.45 0.45 -0.25 0.00 0.00 175.29 174.66 1a4k s SER 156 N -1.78 -0.49 0.00 5.90 0.15 -1.26 -4.54 113.70 111.68 1a4k s SER 156 Ca 0.77 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.45 1a4k s SER 156 Cb -0.31 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 1a4k s SER 156 CO 0.40 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1a4k n GLY 157 N 4.78 1.16 1.10 9.45 0.00 -1.26 -4.92 105.19 115.50 1a4k n GLY 157 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1a4k n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a4k n ASN 158 N 0.00 2.63 -3.87 1.61 6.94 -1.26 -4.99 115.26 116.32 1a4k n ASN 158 Ca 0.00 -3.67 -0.12 0.00 -0.02 0.00 0.00 54.58 50.77 1a4k n ASN 158 Cb 0.00 -0.62 -0.12 0.00 -2.36 0.00 0.00 39.78 36.68 1a4k n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1a4k s SER 159 N -2.48 -0.02 0.08 0.53 1.04 -1.26 -1.16 113.70 110.43 1a4k s SER 159 Ca 0.44 0.00 0.06 0.00 0.48 0.00 0.00 55.95 56.93 1a4k s SER 159 Cb 0.40 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 1a4k s SER 159 CO 0.01 -0.14 -0.15 -1.10 0.98 0.00 0.00 173.24 172.84 1a4k s GLN 160 N -0.45 0.88 0.09 4.02 -0.21 -0.54 -4.96 119.66 118.50 1a4k s GLN 160 Ca -0.05 -1.01 0.02 0.00 0.02 0.00 0.00 55.36 54.34 1a4k s GLN 160 Cb -0.03 -0.92 -0.04 0.00 1.00 0.00 0.00 33.01 33.01 1a4k s GLN 160 CO 0.00 0.21 -0.07 -1.83 -2.12 0.00 0.00 175.29 171.48 1a4k s GLU 161 N -1.82 0.79 -0.01 2.91 -1.05 -1.26 -0.57 118.70 117.69 1a4k s GLU 161 Ca 0.00 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.55 1a4k s GLU 161 Cb -0.10 -0.20 0.01 0.00 -0.44 0.00 0.00 34.13 33.41 1a4k s GLU 161 CO 0.03 -0.01 -0.00 0.45 0.95 0.00 0.00 175.26 176.67 1a4k s SER 162 N -2.89 0.18 -0.09 0.83 0.15 -0.36 -4.98 113.70 106.54 1a4k s SER 162 Ca 0.09 -0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.77 1a4k s SER 162 Cb 0.04 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1a4k s SER 162 CO -0.04 -0.03 -0.20 0.54 1.20 0.00 0.00 173.24 174.71 1a4k s VAL 163 N 0.31 1.76 1.09 4.45 0.11 -1.26 -0.87 120.40 125.99 1a4k s VAL 163 Ca -0.03 -0.85 -0.13 0.00 -2.93 0.00 0.00 61.98 58.05 1a4k s VAL 163 Cb -0.05 -1.54 0.24 0.00 -1.53 0.00 0.00 36.38 33.51 1a4k s VAL 163 CO -0.01 0.49 1.06 0.42 -3.33 0.00 0.00 175.10 173.73 1a4k s THR 164 N 0.40 2.05 0.53 5.04 -4.23 0.36 -4.95 115.64 114.84 1a4k s THR 164 Ca -0.16 0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.19 1a4k s THR 164 Cb -0.17 -2.27 -0.07 0.00 1.34 0.00 0.00 72.50 71.33 1a4k s THR 164 CO 0.07 -0.02 1.00 -1.61 -0.54 0.00 0.00 174.62 173.52 1a4k s GLU 165 N -4.69 3.81 -0.21 3.99 0.41 -1.26 -4.55 118.70 116.20 1a4k s GLU 165 Ca 0.67 1.04 -0.37 0.00 -0.41 0.00 0.00 54.97 55.90 1a4k s GLU 165 Cb -0.22 -2.11 -0.13 0.00 -1.78 0.00 0.00 34.13 29.89 1a4k s GLU 165 CO 0.61 -0.39 1.89 0.94 -0.49 0.00 0.00 175.26 177.82 1a4k n GLN 166 N -1.60 1.60 -1.68 1.61 7.27 -1.26 -4.82 117.38 118.51 1a4k n GLN 166 Ca 0.07 0.57 -0.45 0.00 0.07 0.00 0.00 57.00 57.26 1a4k n GLN 166 Cb 0.54 -2.42 -0.03 0.00 2.41 0.00 0.00 30.24 30.73 1a4k n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1a4k n ASP 167 N 6.78 3.10 -0.52 1.69 2.03 0.45 -4.86 116.55 125.23 1a4k n ASP 167 Ca 0.27 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.69 1a4k n ASP 167 Cb 0.22 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.17 1a4k n ASP 167 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1a4k n SER 168 N 3.01 1.00 0.00 1.67 3.41 -1.26 -0.60 113.62 120.85 1a4k n SER 168 Ca 0.15 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1a4k n SER 168 Cb 0.30 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1a4k n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a4k n LYS 169 N 0.05 0.00 0.00 4.33 5.02 -1.26 -4.87 118.16 121.42 1a4k n LYS 169 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1a4k n LYS 169 Cb 0.24 -0.38 -0.04 0.00 -0.02 0.00 0.00 35.03 34.83 1a4k n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1a4k n ASP 170 N -2.38 0.85 -1.09 4.39 5.68 -1.24 -5.00 116.55 117.77 1a4k n ASP 170 Ca 0.00 -0.93 -0.14 0.00 -0.50 0.00 0.00 54.79 53.23 1a4k n ASP 170 Cb 0.19 0.81 -0.05 0.00 -1.14 0.00 0.00 41.12 40.92 1a4k n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a4k n SER 171 N -0.90 -4.60 -4.95 -1.12 7.64 0.24 -4.99 113.62 104.94 1a4k n SER 171 Ca 0.03 0.31 -0.19 0.00 1.01 0.00 0.00 58.87 60.03 1a4k n SER 171 Cb 0.21 -3.34 -0.01 0.00 -1.01 0.00 0.00 64.21 60.06 1a4k n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a4k s THR 172 N -2.52 2.74 0.45 0.44 -4.23 -1.26 -4.66 115.64 106.60 1a4k s THR 172 Ca 0.00 -1.17 0.06 0.00 -1.18 0.00 0.00 61.69 59.40 1a4k s THR 172 Cb 0.00 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 1a4k s THR 172 CO 0.00 0.00 0.20 -0.31 -0.54 0.00 0.00 174.62 173.97 1a4k s TYR 173 N -2.44 2.35 -0.11 3.99 2.02 0.55 -0.41 117.35 123.31 1a4k s TYR 173 Ca 0.52 -0.68 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1a4k s TYR 173 Cb -0.06 -1.91 0.04 0.00 -0.40 0.00 0.00 41.96 39.62 1a4k s TYR 173 CO 0.31 0.08 0.26 -1.12 -1.57 0.00 0.00 175.55 173.51 1a4k s SER 174 N -3.96 -0.29 0.18 2.29 0.01 -1.26 -0.83 113.70 109.85 1a4k s SER 174 Ca 0.36 0.55 0.11 0.00 1.31 0.00 0.00 55.95 58.28 1a4k s SER 174 Cb 0.03 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 1a4k s SER 174 CO 0.20 -0.14 -0.24 -0.22 0.41 0.00 0.00 173.24 173.25 1a4k s LEU 175 N 0.80 2.42 -0.03 2.44 0.20 -0.36 -0.49 118.68 123.66 1a4k s LEU 175 Ca -0.05 -0.85 -0.00 0.00 0.69 0.00 0.00 54.13 53.91 1a4k s LEU 175 Cb -0.07 -1.17 0.03 0.00 -0.43 0.00 0.00 46.19 44.55 1a4k s LEU 175 CO -0.05 0.13 0.02 -0.55 -0.29 0.00 0.00 176.35 175.61 1a4k s SER 176 N -2.57 0.43 -0.09 3.68 0.15 -0.05 -1.18 113.70 114.07 1a4k s SER 176 Ca 0.20 0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.91 1a4k s SER 176 Cb -0.08 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1a4k s SER 176 CO 0.09 -0.14 -0.22 -0.55 1.20 0.00 0.00 173.24 173.62 1a4k s SER 177 N 1.29 2.83 -0.16 5.45 0.15 0.10 -1.22 113.70 122.14 1a4k s SER 177 Ca -0.06 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.10 1a4k s SER 177 Cb -0.13 -1.22 0.02 0.00 -1.71 0.00 0.00 66.02 62.98 1a4k s SER 177 CO -0.03 0.15 -0.20 -0.89 1.20 0.00 0.00 173.24 173.47 1a4k s THR 178 N 0.32 2.03 -0.21 6.45 2.01 0.26 -0.01 115.64 126.50 1a4k s THR 178 Ca -0.16 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 60.82 1a4k s THR 178 Cb -0.17 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1a4k s THR 178 CO 0.07 0.54 0.11 -0.22 -0.69 0.00 0.00 174.62 174.43 1a4k s LEU 179 N 1.13 3.97 -0.07 4.42 2.96 0.28 -1.46 118.68 129.91 1a4k s LEU 179 Ca 0.01 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1a4k s LEU 179 Cb -0.14 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1a4k s LEU 179 CO -0.09 0.13 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.94 1a4k s THR 180 N 0.64 1.98 0.26 3.68 2.01 -0.31 -0.58 115.64 123.31 1a4k s THR 180 Ca 0.06 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1a4k s THR 180 Cb -0.13 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1a4k s THR 180 CO 0.01 0.55 0.13 -0.76 -0.69 0.00 0.00 174.62 173.86 1a4k s LEU 181 N -0.00 1.54 0.05 4.42 1.43 -0.49 -4.89 118.68 120.75 1a4k s LEU 181 Ca -0.08 -1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 51.43 1a4k s LEU 181 Cb -0.15 0.17 -0.06 0.00 0.03 0.00 0.00 46.19 46.18 1a4k s LEU 181 CO 0.05 -0.81 0.47 -0.94 0.23 0.00 0.00 176.35 175.34 1a4k s SER 182 N -3.30 6.84 0.37 2.29 1.04 -1.26 -0.65 113.70 119.03 1a4k s SER 182 Ca 0.37 1.02 0.22 0.00 0.48 0.00 0.00 55.95 58.04 1a4k s SER 182 Cb 0.07 -2.27 1.33 0.00 0.10 0.00 0.00 66.02 65.25 1a4k s SER 182 CO 0.15 0.25 1.54 1.17 0.98 0.00 0.00 173.24 177.33 1a4k n LYS 183 N 1.46 -0.06 0.24 4.02 4.81 0.54 0.15 118.16 129.33 1a4k n LYS 183 Ca -0.11 1.33 -0.13 0.00 -0.87 0.00 0.00 58.31 58.53 1a4k n LYS 183 Cb 0.52 -2.42 -0.07 0.00 0.02 0.00 0.00 35.03 33.08 1a4k n LYS 183 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a4k h ALA 184 N 1.91 -1.07 0.00 3.14 0.00 -1.92 -2.10 119.26 119.21 1a4k h ALA 184 Ca 0.83 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 1a4k h ALA 184 Cb 2.25 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 20.60 1a4k h ALA 184 CO -0.72 -1.08 -0.15 -0.44 0.00 0.00 0.00 179.25 176.86 1a4k h ASP 185 N -0.76 0.00 0.97 0.00 5.19 -0.67 -2.08 116.42 119.07 1a4k h ASP 185 Ca -0.05 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1a4k h ASP 185 Cb 0.65 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 1a4k h ASP 185 CO -0.02 0.15 -0.09 0.22 -3.12 0.00 0.00 179.24 176.38 1a4k h TYR 186 N 0.00 0.00 0.16 4.55 3.20 -0.13 -3.08 116.97 121.67 1a4k h TYR 186 Ca -0.00 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.55 1a4k h TYR 186 Cb 0.40 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.68 1a4k h TYR 186 CO 0.00 0.09 -1.55 0.93 -1.64 0.00 0.00 178.16 175.99 1a4k h GLU 187 N 0.00 0.33 -0.06 1.82 3.07 -0.69 -3.34 114.58 115.71 1a4k h GLU 187 Ca -0.00 -0.57 0.00 0.00 -0.50 0.00 0.00 59.36 58.29 1a4k h GLU 187 Cb 0.60 0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1a4k h GLU 187 CO 0.01 1.23 0.00 0.36 -1.40 0.00 0.00 179.01 179.21 1a4k n LYS 188 N -3.53 0.18 -3.66 2.33 2.85 -1.16 -4.69 118.16 110.47 1a4k n LYS 188 Ca -0.18 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 56.98 1a4k n LYS 188 Cb 1.06 -1.03 -0.04 0.00 -0.65 0.00 0.00 35.03 34.36 1a4k n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1a4k s HIS 189 N -1.66 -0.17 -0.06 5.58 3.76 -1.26 -5.08 115.29 116.41 1a4k s HIS 189 Ca 0.00 -0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 54.70 1a4k s HIS 189 Cb 0.00 0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.94 1a4k s HIS 189 CO 0.00 -0.75 -0.12 1.17 -0.85 0.00 0.00 174.74 174.18 1a4k n LYS 190 N -0.25 0.20 -3.05 1.40 4.81 -1.26 -4.46 118.16 115.54 1a4k n LYS 190 Ca -0.14 0.09 -0.40 0.00 -0.87 0.00 0.00 58.31 56.98 1a4k n LYS 190 Cb 0.63 -0.84 -0.05 0.00 0.02 0.00 0.00 35.03 34.79 1a4k n LYS 190 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1a4k s VAL 191 N -2.23 4.99 -0.17 3.15 -7.23 -1.26 -3.92 120.40 113.74 1a4k s VAL 191 Ca -0.12 1.33 0.01 0.00 -1.81 0.00 0.00 61.98 61.39 1a4k s VAL 191 Cb 0.04 -4.01 0.03 0.00 0.56 0.00 0.00 36.38 33.00 1a4k s VAL 191 CO 0.16 0.11 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.61 1a4k s TYR 192 N 1.80 2.40 0.10 2.82 1.51 -1.24 0.54 117.35 125.28 1a4k s TYR 192 Ca 0.32 -1.45 0.03 0.00 -1.01 0.00 0.00 57.07 54.97 1a4k s TYR 192 Cb -0.16 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1a4k s TYR 192 CO 0.12 -0.73 -0.09 0.00 -1.11 0.00 0.00 175.55 173.74 1a4k s ALA 193 N 1.41 1.13 -0.19 3.71 0.00 0.76 -1.48 121.76 127.10 1a4k s ALA 193 Ca 0.03 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1a4k s ALA 193 Cb -0.14 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.08 1a4k s ALA 193 CO -0.10 -0.08 -0.09 0.00 0.00 0.00 0.00 175.76 175.48 1a4k s GLU 195 N 1.45 3.13 -0.06 0.00 2.12 0.23 -2.11 118.70 123.45 1a4k s GLU 195 Ca -0.01 -0.92 -0.14 0.00 0.36 0.00 0.00 54.97 54.27 1a4k s GLU 195 Cb -0.16 -4.17 -0.05 0.00 0.26 0.00 0.00 34.13 30.01 1a4k s GLU 195 CO -0.08 -1.46 0.35 0.08 -0.54 0.00 0.00 175.26 173.61 1a4k s VAL 196 N 3.10 5.17 -0.18 3.70 1.01 0.19 -1.26 120.40 132.13 1a4k s VAL 196 Ca 0.17 0.70 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 1a4k s VAL 196 Cb -0.19 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1a4k s VAL 196 CO 0.11 0.52 0.01 0.42 0.00 0.00 0.00 175.10 176.16 1a4k s THR 197 N -0.59 0.68 0.17 3.92 -4.23 -0.05 -0.43 115.64 115.10 1a4k s THR 197 Ca 0.21 -0.54 0.08 0.00 -1.18 0.00 0.00 61.69 60.27 1a4k s THR 197 Cb -0.15 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 1a4k s THR 197 CO 0.10 -0.09 -0.17 -2.28 -0.54 0.00 0.00 174.62 171.63 1a4k s HIS 198 N 1.80 1.78 0.29 3.99 2.46 -1.26 -2.21 115.29 122.13 1a4k s HIS 198 Ca -0.00 -0.49 0.01 0.00 0.47 0.00 0.00 55.06 55.05 1a4k s HIS 198 Cb -0.16 -0.88 0.54 0.00 -0.13 0.00 0.00 32.58 31.94 1a4k s HIS 198 CO -0.07 0.32 1.86 0.37 -2.47 0.00 0.00 174.74 174.75 1a4k h GLN 199 N 3.19 0.99 -0.37 2.88 4.15 -1.92 -0.27 115.11 123.76 1a4k h GLN 199 Ca -0.42 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1a4k h GLN 199 Cb 1.21 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1a4k h GLN 199 CO 0.52 0.66 0.00 0.41 -1.93 0.00 0.00 178.83 178.49 1a4k n GLY 200 N -1.37 0.42 3.00 2.39 0.00 -1.26 -4.64 105.19 103.74 1a4k n GLY 200 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1a4k n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a4k s LEU 201 N -0.27 1.66 0.15 0.99 1.43 -0.11 -4.24 118.68 118.28 1a4k s LEU 201 Ca 0.00 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 1a4k s LEU 201 Cb 0.00 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.57 1a4k s LEU 201 CO 0.00 0.04 1.67 0.28 0.23 0.00 0.00 176.35 178.57 1a4k h SER 202 N 6.73 0.68 -3.64 2.29 0.02 -1.84 -3.44 113.55 114.35 1a4k h SER 202 Ca -0.33 -0.20 -0.26 0.00 -0.84 0.00 0.00 61.79 60.16 1a4k h SER 202 Cb 1.17 -0.18 -0.30 0.00 0.14 0.00 0.00 62.40 63.23 1a4k h SER 202 CO 0.48 0.70 -0.72 -0.94 -1.14 0.00 0.00 176.83 175.21 1a4k s SER 203 N -6.02 0.03 -0.41 3.07 1.04 -1.26 -5.10 113.70 105.04 1a4k s SER 203 Ca -0.13 0.02 -0.38 0.00 0.48 0.00 0.00 55.95 55.95 1a4k s SER 203 Cb 0.11 -0.02 -0.16 0.00 0.10 0.00 0.00 66.02 66.05 1a4k s SER 203 CO 0.78 -0.06 1.44 -2.65 0.98 0.00 0.00 173.24 173.73 1a4k n PRO 204 N 3.54 0.00 -3.31 4.02 -0.02 -1.26 -4.91 135.00 133.06 1a4k n PRO 204 Ca -0.19 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 60.98 1a4k n PRO 204 Cb 0.56 -1.22 -0.05 0.00 -0.02 0.00 0.00 33.50 32.77 1a4k n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a4k s VAL 205 N 3.17 4.89 0.01 -1.45 1.01 0.43 -4.89 120.40 123.57 1a4k s VAL 205 Ca 0.89 0.52 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1a4k s VAL 205 Cb -1.22 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 31.51 1a4k s VAL 205 CO 0.63 -0.16 -0.02 0.42 0.00 0.00 0.00 175.10 175.97 1a4k s THR 206 N -1.92 0.12 0.04 3.92 -4.23 -1.26 0.55 115.64 112.85 1a4k s THR 206 Ca 0.48 -0.51 0.05 0.00 -1.18 0.00 0.00 61.69 60.54 1a4k s THR 206 Cb -0.11 -0.19 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 1a4k s THR 206 CO 0.22 -0.24 -0.14 -0.54 -0.54 0.00 0.00 174.62 173.38 1a4k s LYS 207 N -0.78 0.96 0.10 3.99 -0.14 -0.90 -4.97 119.74 118.00 1a4k s LYS 207 Ca -0.08 -0.76 -0.21 0.00 -1.36 0.00 0.00 55.97 53.56 1a4k s LYS 207 Cb -0.05 -0.97 0.05 0.00 -1.68 0.00 0.00 37.83 35.18 1a4k s LYS 207 CO -0.00 0.24 0.52 -1.54 -0.76 0.00 0.00 175.35 173.81 1a4k s SER 208 N -1.11 -0.44 0.13 2.83 1.04 -1.26 -0.02 113.70 114.88 1a4k s SER 208 Ca 0.02 0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.56 1a4k s SER 208 Cb -0.08 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1a4k s SER 208 CO 0.01 -0.83 -0.14 0.72 0.98 0.00 0.00 173.24 173.98 1a4k s PHE 209 N -3.14 2.59 0.00 5.02 -0.71 -0.55 -4.98 117.98 116.22 1a4k s PHE 209 Ca -0.02 -0.23 0.00 0.00 -1.04 0.00 0.00 56.93 55.64 1a4k s PHE 209 Cb -0.00 -1.34 0.00 0.00 -1.21 0.00 0.00 43.02 40.47 1a4k s PHE 209 CO -0.07 0.43 0.10 0.09 -1.34 0.00 0.00 175.22 174.43 1a4k n ASN 210 N 0.55 0.00 -3.10 1.98 3.02 -1.26 -3.63 115.26 112.83 1a4k n ASN 210 Ca -0.14 0.10 -0.03 0.00 -0.03 0.00 0.00 54.58 54.48 1a4k n ASN 210 Cb 0.53 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.74 1a4k n ASN 210 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1a4k n ARG 211 N -0.14 -0.47 0.00 3.52 3.00 -1.26 -4.25 116.66 117.05 1a4k n ARG 211 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 57.85 57.68 1a4k n ARG 211 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 32.46 32.15 1a4k n ARG 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04