#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3k n ILE 6 N 0.00 2.52 0.12 2.12 -5.35 -1.26 -4.67 119.36 112.85 1c3k n ILE 6 Ca 0.00 -1.99 -0.02 0.00 -0.27 0.00 0.00 62.75 60.47 1c3k n ILE 6 Cb 0.00 -0.30 0.18 0.00 -1.74 0.00 0.00 39.64 37.78 1c3k n ILE 6 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1c3k h ALA 7 N 1.91 0.99 -3.71 -1.28 0.00 -2.00 -3.41 119.26 111.77 1c3k h ALA 7 Ca 0.11 -0.52 -0.67 0.00 0.00 0.00 0.00 54.91 53.82 1c3k h ALA 7 Cb 1.73 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 19.07 1c3k h ALA 7 CO 0.39 0.72 -0.78 0.08 0.00 0.00 0.00 179.25 179.66 1c3k s VAL 8 N -3.75 2.37 -0.28 0.00 1.01 -1.26 -5.07 120.40 113.43 1c3k s VAL 8 Ca -0.02 -1.51 -0.00 0.00 0.00 0.00 0.00 61.98 60.45 1c3k s VAL 8 Cb 0.13 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1c3k s VAL 8 CO 0.77 0.01 -0.05 -1.10 0.00 0.00 0.00 175.10 174.72 1c3k s GLN 9 N 1.16 2.45 -0.20 2.72 -0.21 -1.26 -1.54 119.66 122.76 1c3k s GLN 9 Ca -0.07 -1.24 -0.13 0.00 0.02 0.00 0.00 55.36 53.94 1c3k s GLN 9 Cb -0.19 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.73 1c3k s GLN 9 CO -0.05 -0.56 0.29 0.00 -2.12 0.00 0.00 175.29 172.85 1c3k s ALA 10 N 1.22 3.59 0.00 6.09 0.00 0.49 -4.87 121.76 128.27 1c3k s ALA 10 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1c3k s ALA 10 Cb -0.19 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1c3k s ALA 10 CO -0.03 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1c3k n GLY 11 N 3.89 0.28 3.94 0.00 0.00 -1.26 -0.72 105.19 111.32 1c3k n GLY 11 Ca -0.12 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 1c3k n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c3k s PRO 12 N 0.00 0.91 -0.02 1.61 0.04 -1.26 -4.99 135.00 131.29 1c3k s PRO 12 Ca 0.00 -0.51 0.06 0.00 0.04 0.00 0.00 61.00 60.58 1c3k s PRO 12 Cb 0.00 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1c3k s PRO 12 CO 0.00 -2.19 -0.18 -1.58 0.04 0.00 0.00 177.00 173.09 1c3k s TRP 13 N -3.73 1.65 -2.42 0.56 0.51 0.05 -4.87 118.94 110.69 1c3k s TRP 13 Ca 0.72 -0.33 0.00 0.00 -2.12 0.00 0.00 56.10 54.37 1c3k s TRP 13 Cb -0.04 -1.07 0.00 0.00 -0.81 0.00 0.00 33.47 31.55 1c3k s TRP 13 CO 0.51 -0.04 0.00 0.41 -0.51 0.00 0.00 176.95 177.32 1c3k n GLY 14 N 2.67 0.50 4.03 0.98 0.00 -1.26 -1.68 105.19 110.42 1c3k n GLY 14 Ca -0.15 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 1c3k n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c3k s GLY 15 N 0.00 1.74 0.00 -0.02 0.00 0.21 -4.90 107.32 104.35 1c3k s GLY 15 Ca 0.00 -2.06 0.20 0.00 0.00 0.00 0.00 44.72 42.86 1c3k s GLY 15 CO 0.00 -1.59 1.33 0.70 0.00 0.00 0.00 173.10 173.54 1c3k n ASN 16 N -2.32 3.27 -3.79 1.64 3.02 -1.26 -4.30 115.26 111.51 1c3k n ASN 16 Ca 0.15 -1.94 -0.30 0.00 -0.03 0.00 0.00 54.58 52.47 1c3k n ASN 16 Cb 0.61 -0.24 0.23 0.00 -0.61 0.00 0.00 39.78 39.77 1c3k n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c3k n GLY 17 N 1.27 -2.01 7.00 7.41 0.00 -1.26 -4.94 105.19 112.66 1c3k n GLY 17 Ca 0.17 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1c3k n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c3k n GLY 18 N -4.24 -1.41 3.38 -0.02 0.00 -1.26 -4.49 105.19 97.14 1c3k n GLY 18 Ca 0.16 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1c3k n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3k s LYS 19 N 0.00 1.69 0.19 1.61 1.02 0.03 -4.75 119.74 119.53 1c3k s LYS 19 Ca 0.00 -1.19 -0.31 0.00 0.02 0.00 0.00 55.97 54.49 1c3k s LYS 19 Cb 0.00 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.23 1c3k s LYS 19 CO 0.00 0.49 1.49 0.50 -0.92 0.00 0.00 175.35 176.91 1c3k s ARG 20 N -1.59 4.25 0.16 1.68 6.06 -1.26 -1.27 118.95 126.98 1c3k s ARG 20 Ca 0.13 2.29 0.03 0.00 -2.50 0.00 0.00 55.73 55.68 1c3k s ARG 20 Cb -0.10 -3.15 -0.05 0.00 0.06 0.00 0.00 34.95 31.71 1c3k s ARG 20 CO 0.04 -0.51 -0.03 1.67 -2.50 0.00 0.00 175.30 173.97 1c3k s TRP 21 N 0.69 1.21 -0.17 5.12 1.48 0.13 -4.95 118.94 122.44 1c3k s TRP 21 Ca 0.65 -0.93 -0.17 0.00 -1.06 0.00 0.00 56.10 54.59 1c3k s TRP 21 Cb -0.42 -0.68 0.05 0.00 -1.16 0.00 0.00 33.47 31.26 1c3k s TRP 21 CO 0.36 -0.12 0.47 -1.17 -4.06 0.00 0.00 176.95 172.44 1c3k s LEU 22 N -3.17 0.19 -0.09 -4.66 0.20 -1.26 -1.41 118.68 108.48 1c3k s LEU 22 Ca 0.21 0.91 -0.04 0.00 0.69 0.00 0.00 54.13 55.90 1c3k s LEU 22 Cb 0.05 1.64 0.05 0.00 -0.43 0.00 0.00 46.19 47.50 1c3k s LEU 22 CO 0.02 -0.19 0.19 -1.58 -0.29 0.00 0.00 176.35 174.50 1c3k s GLN 23 N 0.14 0.08 0.52 1.98 2.00 0.43 -4.99 119.66 119.82 1c3k s GLN 23 Ca -0.01 0.58 0.01 0.00 -2.00 0.00 0.00 55.36 53.94 1c3k s GLN 23 Cb -0.03 -0.20 -0.01 0.00 0.80 0.00 0.00 33.01 33.57 1c3k s GLN 23 CO 0.01 -0.28 0.02 0.95 -0.50 0.00 0.00 175.29 175.49 1c3k s THR 24 N 2.13 1.13 -1.72 -0.34 -4.23 -1.26 -0.91 115.64 110.42 1c3k s THR 24 Ca 0.00 -1.98 0.17 0.00 -1.18 0.00 0.00 61.69 58.71 1c3k s THR 24 Cb -0.12 -2.11 0.56 0.00 1.34 0.00 0.00 72.50 72.17 1c3k s THR 24 CO -0.07 0.00 1.46 0.00 -0.54 0.00 0.00 174.62 175.47 1c3k n ALA 25 N -1.30 2.61 -4.03 3.99 0.00 -0.44 -4.96 120.51 116.39 1c3k n ALA 25 Ca -0.20 -1.15 -0.34 0.00 0.00 0.00 0.00 53.44 51.76 1c3k n ALA 25 Cb 0.67 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 1c3k n ALA 25 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c3k n HIS 26 N 1.14 -1.53 0.00 0.00 8.25 -1.26 -1.12 115.22 120.70 1c3k n HIS 26 Ca 0.21 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1c3k n HIS 26 Cb 0.60 -3.18 0.00 0.00 1.12 0.00 0.00 29.99 28.53 1c3k n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c3k n GLY 27 N -2.11 2.27 0.00 -1.41 0.00 -1.26 -4.62 105.19 98.06 1c3k n GLY 27 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1c3k n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c3k n GLY 28 N -2.00 0.71 2.95 -0.02 0.00 -0.28 -4.44 105.19 102.11 1c3k n GLY 28 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1c3k n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1c3k s LYS 29 N 3.56 0.26 -0.03 1.61 2.20 -0.20 -4.82 119.74 122.32 1c3k s LYS 29 Ca 0.00 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 1c3k s LYS 29 Cb 0.00 -0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1c3k s LYS 29 CO 0.00 0.02 1.19 0.42 -0.36 0.00 0.00 175.35 176.63 1c3k s ILE 30 N -0.59 4.23 -0.06 5.43 -1.09 -1.26 -1.53 121.20 126.33 1c3k s ILE 30 Ca -0.05 1.57 0.10 0.00 -2.23 0.00 0.00 60.65 60.04 1c3k s ILE 30 Cb -0.04 -4.01 -0.15 0.00 -1.58 0.00 0.00 42.46 36.68 1c3k s ILE 30 CO -0.00 0.03 0.13 0.35 -1.23 0.00 0.00 174.94 174.22 1c3k n THR 31 N 4.43 0.37 -3.85 2.92 -2.24 0.21 -4.91 114.28 111.21 1c3k n THR 31 Ca 0.10 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1c3k n THR 31 Cb 0.46 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.32 1c3k n THR 31 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1c3k s SER 32 N -3.79 -0.03 -0.09 3.42 0.01 -0.91 -1.32 113.70 110.99 1c3k s SER 32 Ca -0.05 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.17 1c3k s SER 32 Cb 0.05 0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.54 1c3k s SER 32 CO 0.44 -0.30 -0.14 -0.63 0.41 0.00 0.00 173.24 173.01 1c3k s ILE 33 N -1.04 1.36 -0.25 1.44 1.01 -0.40 -1.11 121.20 122.21 1c3k s ILE 33 Ca -0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1c3k s ILE 33 Cb -0.06 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.19 1c3k s ILE 33 CO 0.01 0.41 -0.04 -0.63 0.00 0.00 0.00 174.94 174.69 1c3k s ILE 34 N 0.85 3.07 -0.08 2.92 1.01 0.08 -1.10 121.20 127.96 1c3k s ILE 34 Ca -0.10 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.69 1c3k s ILE 34 Cb -0.15 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 1c3k s ILE 34 CO 0.01 0.22 -0.24 -0.63 0.00 0.00 0.00 174.94 174.30 1c3k s ILE 35 N 1.37 2.03 -0.41 2.92 1.01 0.09 -0.71 121.20 127.49 1c3k s ILE 35 Ca 0.01 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 1c3k s ILE 35 Cb -0.16 -1.74 0.09 0.00 0.01 0.00 0.00 42.46 40.66 1c3k s ILE 35 CO -0.04 0.56 0.22 -0.54 0.00 0.00 0.00 174.94 175.15 1c3k s LYS 36 N 0.12 2.34 0.04 2.79 1.02 -0.22 -0.73 119.74 125.11 1c3k s LYS 36 Ca -0.12 -1.62 0.07 0.00 0.02 0.00 0.00 55.97 54.32 1c3k s LYS 36 Cb -0.16 -3.66 -0.02 0.00 -0.52 0.00 0.00 37.83 33.46 1c3k s LYS 36 CO 0.06 -1.00 -0.19 0.20 -0.92 0.00 0.00 175.35 173.51 1c3k s GLY 37 N 2.00 1.04 0.00 -3.33 0.00 -1.26 -0.35 107.32 105.42 1c3k s GLY 37 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1c3k s GLY 37 CO -0.01 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 172.76 1c3k n GLY 38 N 1.85 2.66 0.26 0.20 0.00 -1.26 -4.49 105.19 104.40 1c3k n GLY 38 Ca -0.17 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.82 1c3k n GLY 38 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1c3k h THR 39 N 0.00 1.10 -4.25 2.61 1.35 -1.91 -2.92 112.91 108.88 1c3k h THR 39 Ca 0.00 -0.38 -0.33 0.00 -0.55 0.00 0.00 66.41 65.15 1c3k h THR 39 Cb 0.00 1.02 -0.08 0.00 -1.73 0.00 0.00 68.15 67.36 1c3k h THR 39 CO 0.00 0.12 -0.22 0.00 -0.25 0.00 0.00 175.52 175.18 1c3k s ILE 41 N -2.94 4.36 0.13 0.00 -1.09 -0.32 -4.44 121.20 116.90 1c3k s ILE 41 Ca 0.32 0.67 0.03 0.00 -2.23 0.00 0.00 60.65 59.45 1c3k s ILE 41 Cb -0.00 -4.52 -0.20 0.00 -1.58 0.00 0.00 42.46 36.15 1c3k s ILE 41 CO 0.23 -1.01 1.29 -0.26 -1.23 0.00 0.00 174.94 173.96 1c3k h PHE 42 N 9.23 0.19 -1.95 3.97 -1.00 -1.01 -1.48 116.94 124.89 1c3k h PHE 42 Ca -0.25 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.36 1c3k h PHE 42 Cb 1.07 -0.01 -0.20 0.00 3.61 0.00 0.00 35.95 40.42 1c3k h PHE 42 CO 0.92 1.04 0.21 0.45 -1.61 0.00 0.00 178.31 179.32 1c3k s SER 43 N -6.88 -0.65 0.01 2.17 0.15 -1.05 -3.72 113.70 103.73 1c3k s SER 43 Ca -0.01 0.84 0.02 0.00 0.70 0.00 0.00 55.95 57.50 1c3k s SER 43 Cb 0.09 0.71 -0.01 0.00 -1.71 0.00 0.00 66.02 65.10 1c3k s SER 43 CO 0.83 -0.50 -0.06 -0.51 1.20 0.00 0.00 173.24 174.20 1c3k s ILE 44 N -0.84 0.48 -0.01 6.45 2.07 -0.47 -1.05 121.20 127.83 1c3k s ILE 44 Ca -0.08 -0.55 -0.07 0.00 -1.41 0.00 0.00 60.65 58.54 1c3k s ILE 44 Cb -0.01 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.12 1c3k s ILE 44 CO 0.07 -0.06 0.15 -1.58 -1.91 0.00 0.00 174.94 171.62 1c3k s GLN 45 N -0.66 0.44 0.07 3.50 0.74 0.11 -0.91 119.66 122.95 1c3k s GLN 45 Ca -0.02 -0.27 0.09 0.00 0.05 0.00 0.00 55.36 55.21 1c3k s GLN 45 Cb -0.05 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.22 1c3k s GLN 45 CO 0.00 -0.10 -0.24 -0.06 -0.55 0.00 0.00 175.29 174.34 1c3k s PHE 46 N -1.10 2.04 -0.05 1.67 0.40 -1.26 -0.74 117.98 118.93 1c3k s PHE 46 Ca -0.12 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1c3k s PHE 46 Cb -0.06 -1.18 -0.02 0.00 0.51 0.00 0.00 43.02 42.27 1c3k s PHE 46 CO 0.01 0.17 -0.19 0.08 0.70 0.00 0.00 175.22 176.00 1c3k s VAL 47 N -0.92 2.62 0.11 -0.44 1.01 -0.27 -0.16 120.40 122.35 1c3k s VAL 47 Ca 0.10 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1c3k s VAL 47 Cb -0.10 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1c3k s VAL 47 CO 0.03 0.58 0.12 -0.72 0.00 0.00 0.00 175.10 175.11 1c3k s TYR 48 N -0.47 0.52 -0.03 5.22 -0.85 -0.11 -0.62 117.35 121.02 1c3k s TYR 48 Ca 0.06 -0.95 0.05 0.00 -0.52 0.00 0.00 57.07 55.71 1c3k s TYR 48 Cb -0.12 -0.27 -0.01 0.00 0.38 0.00 0.00 41.96 41.94 1c3k s TYR 48 CO 0.01 -0.54 -0.17 0.15 -1.52 0.00 0.00 175.55 173.48 1c3k s LYS 49 N -3.96 1.58 0.92 -3.49 1.02 -0.58 0.11 119.74 115.34 1c3k s LYS 49 Ca 0.14 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.41 1c3k s LYS 49 Cb 0.06 -1.45 0.20 0.00 -0.52 0.00 0.00 37.83 36.12 1c3k s LYS 49 CO -0.04 0.31 1.25 0.16 -0.92 0.00 0.00 175.35 176.12 1c3k s ASP 50 N -0.20 3.23 0.59 2.83 1.47 -0.65 -1.04 116.67 122.90 1c3k s ASP 50 Ca 0.02 -0.08 0.40 0.00 1.18 0.00 0.00 52.55 54.07 1c3k s ASP 50 Cb -0.09 0.04 2.14 0.00 -0.34 0.00 0.00 42.92 44.67 1c3k s ASP 50 CO 0.01 -2.63 2.21 0.11 0.68 0.00 0.00 175.17 175.54 1c3k h LYS 51 N -1.40 0.00 -0.59 2.11 1.57 -1.82 0.22 116.57 116.66 1c3k h LYS 51 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1c3k h LYS 51 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1c3k h LYS 51 CO 0.33 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.96 1c3k n ASP 52 N -2.89 3.35 -0.89 0.86 8.00 -1.26 -4.92 116.55 118.80 1c3k n ASP 52 Ca -0.03 -2.16 -0.12 0.00 0.71 0.00 0.00 54.79 53.19 1c3k n ASP 52 Cb 0.07 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 1c3k n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1c3k n ASN 53 N 0.98 -4.64 -4.74 -2.24 3.02 0.76 -4.99 115.26 103.40 1c3k n ASN 53 Ca 0.19 0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 54.63 1c3k n ASN 53 Cb 0.59 -3.17 -0.05 0.00 -0.61 0.00 0.00 39.78 36.53 1c3k n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1c3k s ILE 54 N -2.36 4.19 0.02 2.41 1.09 -1.26 -4.76 121.20 120.54 1c3k s ILE 54 Ca 0.00 2.03 -0.18 0.00 -1.10 0.00 0.00 60.65 61.40 1c3k s ILE 54 Cb 0.00 -4.29 -0.06 0.00 -1.06 0.00 0.00 42.46 37.05 1c3k s ILE 54 CO 0.00 0.41 0.50 -0.70 -0.10 0.00 0.00 174.94 175.05 1c3k s GLU 55 N -0.70 4.12 0.09 2.79 2.12 -1.26 -1.64 118.70 124.22 1c3k s GLU 55 Ca 0.44 0.58 0.03 0.00 0.36 0.00 0.00 54.97 56.38 1c3k s GLU 55 Cb -0.25 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1c3k s GLU 55 CO 0.32 0.59 -0.08 0.71 -0.54 0.00 0.00 175.26 176.26 1c3k s TYR 56 N -0.85 0.93 -0.08 5.30 1.51 0.12 -4.99 117.35 119.30 1c3k s TYR 56 Ca 0.27 -0.75 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 1c3k s TYR 56 Cb -0.18 -0.53 -0.00 0.00 -0.11 0.00 0.00 41.96 41.14 1c3k s TYR 56 CO 0.16 -0.07 -0.22 -1.01 -1.11 0.00 0.00 175.55 173.29 1c3k s HIS 57 N -2.85 2.32 0.81 2.71 3.76 -1.26 -0.94 115.29 119.84 1c3k s HIS 57 Ca 0.06 -0.83 -0.12 0.00 -0.15 0.00 0.00 55.06 54.03 1c3k s HIS 57 Cb -0.00 -1.55 0.08 0.00 1.11 0.00 0.00 32.58 32.22 1c3k s HIS 57 CO -0.02 -0.31 1.17 -1.54 -0.85 0.00 0.00 174.74 173.20 1c3k s SER 58 N 0.16 4.46 1.03 1.40 1.04 0.77 -5.01 113.70 117.54 1c3k s SER 58 Ca -0.12 0.73 -0.09 0.00 0.48 0.00 0.00 55.95 56.95 1c3k s SER 58 Cb -0.16 -1.21 0.13 0.00 0.10 0.00 0.00 66.02 64.88 1c3k s SER 58 CO 0.06 -1.93 0.69 0.61 0.98 0.00 0.00 173.24 173.65 1c3k n GLY 59 N -3.31 -1.60 3.80 7.32 0.00 -1.26 -4.63 105.19 105.51 1c3k n GLY 59 Ca 0.08 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 1c3k n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3k s LYS 60 N -4.51 4.13 -0.40 1.61 1.02 -1.26 -4.48 119.74 115.85 1c3k s LYS 60 Ca 0.40 0.55 -0.05 0.00 0.02 0.00 0.00 55.97 56.89 1c3k s LYS 60 Cb -0.02 -3.28 0.10 0.00 -0.52 0.00 0.00 37.83 34.11 1c3k s LYS 60 CO 0.28 0.54 0.20 -0.06 -0.92 0.00 0.00 175.35 175.40 1c3k s PHE 61 N -0.66 3.47 0.00 3.18 0.40 -0.09 -4.78 117.98 119.50 1c3k s PHE 61 Ca 0.26 -2.09 0.00 0.00 -0.60 0.00 0.00 56.93 54.50 1c3k s PHE 61 Cb -0.17 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.31 1c3k s PHE 61 CO 0.15 -0.93 0.00 0.41 0.70 0.00 0.00 175.22 175.55 1c3k n GLY 62 N 4.70 2.47 0.34 4.36 0.00 -1.25 -1.37 105.19 114.43 1c3k n GLY 62 Ca -0.06 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 44.76 1c3k n GLY 62 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1c3k n VAL 63 N 1.76 0.00 -2.26 1.61 0.24 -1.01 -4.52 118.33 114.14 1c3k n VAL 63 Ca 0.00 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 1c3k n VAL 63 Cb 0.00 1.18 0.05 0.00 -1.47 0.00 0.00 33.84 33.60 1c3k n VAL 63 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1c3k n LEU 64 N -0.08 0.00 0.00 1.34 4.77 -0.57 -5.04 117.00 117.42 1c3k n LEU 64 Ca 0.06 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1c3k n LEU 64 Cb 0.30 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1c3k n LEU 64 CO 0.16 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1c3k n GLY 65 N 1.74 -0.27 1.73 -0.72 0.00 -1.26 -4.29 105.19 102.12 1c3k n GLY 65 Ca 0.07 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1c3k n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c3k n ASP 66 N -0.96 0.02 -4.77 1.61 5.75 -1.26 -5.07 116.55 111.88 1c3k n ASP 66 Ca 0.00 0.04 -0.35 0.00 -0.01 0.00 0.00 54.79 54.47 1c3k n ASP 66 Cb 0.00 0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.13 1c3k n ASP 66 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1c3k s LYS 67 N -2.00 3.15 -0.05 0.11 2.36 -1.26 -5.03 119.74 117.02 1c3k s LYS 67 Ca 0.00 1.67 -0.10 0.00 -2.55 0.00 0.00 55.97 54.99 1c3k s LYS 67 Cb 0.00 -1.97 0.02 0.00 -1.05 0.00 0.00 37.83 34.83 1c3k s LYS 67 CO 0.00 -1.03 0.24 0.00 1.55 0.00 0.00 175.35 176.12 1c3k s ALA 68 N -1.76 -0.60 -0.06 3.13 0.00 -1.26 -4.37 121.76 116.83 1c3k s ALA 68 Ca 0.74 0.38 0.06 0.00 0.00 0.00 0.00 51.96 53.14 1c3k s ALA 68 Cb -0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1c3k s ALA 68 CO 0.31 -0.19 -0.24 -1.21 0.00 0.00 0.00 175.76 174.43 1c3k s GLU 69 N -0.70 2.63 -0.04 0.00 2.02 0.09 -4.96 118.70 117.75 1c3k s GLU 69 Ca -0.08 -0.89 0.06 0.00 0.02 0.00 0.00 54.97 54.08 1c3k s GLU 69 Cb -0.04 -2.20 -0.01 0.00 0.10 0.00 0.00 34.13 31.97 1c3k s GLU 69 CO 0.02 0.36 -0.22 0.99 0.02 0.00 0.00 175.26 176.43 1c3k s THR 70 N -0.12 1.77 -0.09 3.63 2.01 -1.26 -0.73 115.64 120.86 1c3k s THR 70 Ca -0.05 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.06 1c3k s THR 70 Cb -0.14 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 1c3k s THR 70 CO 0.04 0.50 -0.23 0.27 -0.69 0.00 0.00 174.62 174.52 1c3k s ILE 71 N -0.26 2.23 -0.12 1.82 -4.36 -0.26 -4.98 121.20 115.27 1c3k s ILE 71 Ca 0.01 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.44 1c3k s ILE 71 Cb -0.11 -1.85 0.02 0.00 1.25 0.00 0.00 42.46 41.77 1c3k s ILE 71 CO 0.01 0.56 -0.14 -0.89 0.24 0.00 0.00 174.94 174.73 1c3k s THR 72 N 0.12 1.43 0.36 8.37 2.01 -1.26 -1.27 115.64 125.41 1c3k s THR 72 Ca -0.11 -0.59 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 1c3k s THR 72 Cb -0.16 -1.33 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 1c3k s THR 72 CO 0.06 0.43 0.79 -0.36 -0.69 0.00 0.00 174.62 174.85 1c3k s PHE 73 N 1.18 3.39 0.92 4.92 2.99 -0.43 -5.02 117.98 125.92 1c3k s PHE 73 Ca -0.03 1.25 -0.12 0.00 0.00 0.00 0.00 56.93 58.04 1c3k s PHE 73 Cb -0.14 -2.58 0.14 0.00 0.00 0.00 0.00 43.02 40.44 1c3k s PHE 73 CO -0.04 0.00 1.09 0.00 -0.00 0.00 0.00 175.22 176.27 1c3k s ALA 74 N -2.12 1.40 0.29 5.36 0.00 -1.26 -4.92 121.76 120.52 1c3k s ALA 74 Ca 0.55 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1c3k s ALA 74 Cb -0.10 -3.19 0.53 0.00 0.00 0.00 0.00 23.12 20.36 1c3k s ALA 74 CO 0.20 -2.47 1.89 0.93 0.00 0.00 0.00 175.76 176.31 1c3k h GLU 75 N -1.64 1.00 -0.67 0.00 3.07 -2.00 -1.97 114.58 112.37 1c3k h GLU 75 Ca -0.50 -0.06 -0.26 0.00 -0.50 0.00 0.00 59.36 58.04 1c3k h GLU 75 Cb 1.29 -0.23 -0.15 0.00 -0.84 0.00 0.00 28.75 28.82 1c3k h GLU 75 CO 0.54 0.66 0.26 -0.40 -1.40 0.00 0.00 179.01 178.68 1c3k n ASP 76 N -4.52 4.04 -4.40 1.42 3.85 -1.26 -4.94 116.55 110.75 1c3k n ASP 76 Ca 0.15 -3.40 -0.33 0.00 -0.71 0.00 0.00 54.79 50.51 1c3k n ASP 76 Cb 0.24 -0.72 -0.14 0.00 -1.35 0.00 0.00 41.12 39.15 1c3k n ASP 76 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1c3k s GLU 77 N -3.10 3.47 0.04 0.11 2.12 -0.74 -4.97 118.70 115.62 1c3k s GLU 77 Ca 0.52 -0.64 0.05 0.00 0.36 0.00 0.00 54.97 55.26 1c3k s GLU 77 Cb 0.43 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 32.07 1c3k s GLU 77 CO 0.10 0.20 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.37 1c3k s ASP 78 N 0.41 1.65 0.18 -1.70 1.01 -1.26 -4.67 116.67 112.29 1c3k s ASP 78 Ca -0.08 -0.46 -0.31 0.00 0.71 0.00 0.00 52.55 52.41 1c3k s ASP 78 Cb -0.15 -0.10 -0.09 0.00 1.01 0.00 0.00 42.92 43.58 1c3k s ASP 78 CO 0.04 0.03 1.43 -0.63 0.21 0.00 0.00 175.17 176.25 1c3k s ILE 79 N -0.86 2.95 -0.22 0.77 1.01 -1.26 -2.31 121.20 121.28 1c3k s ILE 79 Ca 0.01 0.73 0.05 0.00 0.00 0.00 0.00 60.65 61.44 1c3k s ILE 79 Cb -0.08 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1c3k s ILE 79 CO 0.01 0.08 0.20 0.35 0.00 0.00 0.00 174.94 175.58 1c3k n THR 80 N 3.28 0.00 -3.58 2.92 -2.24 0.12 -4.48 114.28 110.31 1c3k n THR 80 Ca 0.10 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 1c3k n THR 80 Cb 0.41 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.58 1c3k n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c3k s ALA 81 N -1.47 -1.95 -0.03 6.98 0.00 -1.00 -0.74 121.76 123.55 1c3k s ALA 81 Ca 0.02 1.56 0.04 0.00 0.00 0.00 0.00 51.96 53.57 1c3k s ALA 81 Cb 0.04 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 1c3k s ALA 81 CO 0.19 -0.35 -0.14 -1.50 0.00 0.00 0.00 175.76 173.96 1c3k s ILE 82 N -1.36 1.17 0.23 0.00 2.07 -0.99 -0.97 121.20 121.35 1c3k s ILE 82 Ca 0.00 -0.58 -0.07 0.00 -1.41 0.00 0.00 60.65 58.60 1c3k s ILE 82 Cb -0.01 -1.01 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 1c3k s ILE 82 CO -0.01 0.34 0.31 -0.94 -1.91 0.00 0.00 174.94 172.73 1c3k s SER 83 N 0.05 0.05 0.00 4.50 1.04 0.08 -0.59 113.70 118.83 1c3k s SER 83 Ca -0.02 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1c3k s SER 83 Cb -0.10 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1c3k s SER 83 CO 0.01 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1c3k n GLY 84 N -0.33 -0.69 3.10 7.32 0.00 -0.69 -0.37 105.19 113.53 1c3k n GLY 84 Ca 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 1c3k n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c3k s THR 85 N -3.00 0.33 0.05 2.61 -4.23 -0.63 -1.40 115.64 109.38 1c3k s THR 85 Ca 0.00 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1c3k s THR 85 Cb 0.00 -1.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 1c3k s THR 85 CO 0.00 -0.94 -0.05 0.72 -0.54 0.00 0.00 174.62 173.81 1c3k s PHE 86 N -3.72 0.58 0.00 3.99 -0.12 -0.45 -0.99 117.98 117.27 1c3k s PHE 86 Ca 0.07 -0.77 0.00 0.00 -0.05 0.00 0.00 56.93 56.18 1c3k s PHE 86 Cb 0.06 -0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.08 1c3k s PHE 86 CO -0.08 -0.21 0.00 0.41 -0.05 0.00 0.00 175.22 175.29 1c3k n GLY 87 N 0.76 0.69 3.75 1.99 0.00 -0.62 -3.66 105.19 108.10 1c3k n GLY 87 Ca -0.18 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1c3k n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c3k s ALA 88 N -1.00 3.48 -0.31 4.61 0.00 -1.26 -1.52 121.76 125.75 1c3k s ALA 88 Ca 0.00 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.02 1c3k s ALA 88 Cb 0.00 -3.44 0.14 0.00 0.00 0.00 0.00 23.12 19.82 1c3k s ALA 88 CO 0.00 -0.45 0.31 -0.47 0.00 0.00 0.00 175.76 175.16 1c3k s TYR 89 N -0.31 -0.38 -1.21 0.00 5.04 0.21 -4.92 117.35 115.80 1c3k s TYR 89 Ca 0.53 -0.40 -0.06 0.00 -2.44 0.00 0.00 57.07 54.69 1c3k s TYR 89 Cb -0.35 -0.46 -0.02 0.00 0.35 0.00 0.00 41.96 41.48 1c3k s TYR 89 CO 0.40 -0.93 0.79 0.66 -1.34 0.00 0.00 175.55 175.13 1c3k n TYR 90 N 4.97 -2.05 -2.00 4.97 4.02 -1.26 -2.62 117.16 123.19 1c3k n TYR 90 Ca 0.02 0.77 -0.14 0.00 -0.01 0.00 0.00 57.90 58.54 1c3k n TYR 90 Cb 0.46 -4.20 -0.02 0.00 -0.02 0.00 0.00 39.34 35.55 1c3k n TYR 90 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1c3k n HIS 91 N -4.02 -0.46 -3.78 -0.72 8.25 -1.26 -5.00 115.22 108.22 1c3k n HIS 91 Ca -0.21 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.13 1c3k n HIS 91 Cb 0.65 -2.87 -0.08 0.00 1.12 0.00 0.00 29.99 28.81 1c3k n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c3k s MET 92 N -4.24 0.70 -0.20 -0.41 0.23 -1.08 -5.14 119.30 109.17 1c3k s MET 92 Ca 0.00 -0.37 -0.18 0.00 -1.03 0.00 0.00 55.69 54.11 1c3k s MET 92 Cb 0.00 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 1c3k s MET 92 CO 0.00 -0.20 0.50 0.99 -2.03 0.00 0.00 175.02 174.27 1c3k s THR 93 N -1.90 5.12 0.24 3.16 2.01 -1.26 0.67 115.64 123.68 1c3k s THR 93 Ca -0.10 0.90 -0.00 0.00 0.31 0.00 0.00 61.69 62.81 1c3k s THR 93 Cb -0.03 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1c3k s THR 93 CO 0.00 0.19 0.20 0.68 -0.69 0.00 0.00 174.62 175.00 1c3k s VAL 94 N 1.60 0.00 -0.04 3.82 -7.23 -0.58 -2.74 120.40 115.23 1c3k s VAL 94 Ca 0.23 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 1c3k s VAL 94 Cb -0.15 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1c3k s VAL 94 CO 0.09 0.00 1.22 -0.69 -0.31 0.00 0.00 175.10 175.41 1c3k s VAL 95 N -3.95 4.20 -0.16 1.32 1.01 -0.30 -1.59 120.40 120.92 1c3k s VAL 95 Ca 0.38 1.53 0.19 0.00 0.00 0.00 0.00 61.98 64.08 1c3k s VAL 95 Cb 0.05 -3.99 -0.27 0.00 0.00 0.00 0.00 36.38 32.18 1c3k s VAL 95 CO 0.16 0.01 0.16 0.35 0.00 0.00 0.00 175.10 175.77 1c3k n THR 96 N 4.57 1.08 -3.67 3.92 -2.24 -0.16 -1.17 114.28 116.61 1c3k n THR 96 Ca 0.11 -0.78 -0.12 0.00 -2.27 0.00 0.00 64.05 61.00 1c3k n THR 96 Cb 0.46 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 1c3k n THR 96 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1c3k s SER 97 N -5.26 -0.24 0.03 3.42 1.04 -1.08 -0.31 113.70 111.29 1c3k s SER 97 Ca -0.09 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1c3k s SER 97 Cb 0.08 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 1c3k s SER 97 CO 0.84 -0.71 -0.04 -0.76 0.98 0.00 0.00 173.24 173.55 1c3k s LEU 98 N -2.26 2.25 -0.05 2.42 1.43 -0.48 -1.61 118.68 120.39 1c3k s LEU 98 Ca -0.03 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1c3k s LEU 98 Cb 0.00 0.04 0.03 0.00 0.03 0.00 0.00 46.19 46.29 1c3k s LEU 98 CO -0.05 -0.29 0.11 -0.89 0.23 0.00 0.00 176.35 175.46 1c3k s THR 99 N -1.54 -0.05 -0.06 5.49 2.01 0.50 -0.50 115.64 121.49 1c3k s THR 99 Ca -0.14 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1c3k s THR 99 Cb -0.09 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1c3k s THR 99 CO -0.01 0.07 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.45 1c3k s PHE 100 N 1.07 2.60 0.03 4.92 0.40 -0.58 -0.75 117.98 125.67 1c3k s PHE 100 Ca -0.08 -0.45 0.08 0.00 -0.60 0.00 0.00 56.93 55.87 1c3k s PHE 100 Cb -0.11 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 1c3k s PHE 100 CO -0.05 -0.03 -0.21 -1.14 0.70 0.00 0.00 175.22 174.49 1c3k s GLN 101 N -0.36 2.02 0.40 0.44 0.74 -0.14 0.01 119.66 122.77 1c3k s GLN 101 Ca 0.03 -0.99 0.02 0.00 0.05 0.00 0.00 55.36 54.47 1c3k s GLN 101 Cb -0.12 -2.12 -0.01 0.00 1.10 0.00 0.00 33.01 31.86 1c3k s GLN 101 CO 0.02 0.54 0.08 0.25 -0.55 0.00 0.00 175.29 175.63 1c3k n THR 102 N 1.79 0.00 1.01 -0.34 -2.24 0.41 0.14 114.28 115.06 1c3k n THR 102 Ca -0.16 -2.15 0.10 0.00 -2.27 0.00 0.00 64.05 59.57 1c3k n THR 102 Cb 0.52 0.64 0.54 0.00 -2.10 0.00 0.00 70.33 69.93 1c3k n THR 102 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1c3k n ASN 103 N -1.46 0.00 -0.08 3.42 6.94 -0.98 -3.42 115.26 119.68 1c3k n ASN 103 Ca -0.11 -0.04 -0.10 0.00 -0.02 0.00 0.00 54.58 54.32 1c3k n ASN 103 Cb 0.56 -0.28 -0.09 0.00 -2.36 0.00 0.00 39.78 37.61 1c3k n ASN 103 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1c3k n LYS 104 N -1.28 0.97 -3.92 -3.83 4.76 -1.26 -5.05 118.16 108.55 1c3k n LYS 104 Ca 0.10 0.06 0.01 0.00 -2.87 0.00 0.00 58.31 55.61 1c3k n LYS 104 Cb 0.17 -1.36 0.01 0.00 -1.84 0.00 0.00 35.03 32.01 1c3k n LYS 104 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1c3k s LYS 105 N -2.35 0.69 -0.16 1.97 -2.85 -1.22 -5.14 119.74 110.67 1c3k s LYS 105 Ca -0.17 -0.44 -0.06 0.00 -1.00 0.00 0.00 55.97 54.30 1c3k s LYS 105 Cb 0.05 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 1c3k s LYS 105 CO 0.48 -0.32 0.04 0.08 0.10 0.00 0.00 175.35 175.73 1c3k s VAL 106 N -2.12 4.62 -0.11 1.79 1.01 -1.26 -0.45 120.40 123.89 1c3k s VAL 106 Ca 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1c3k s VAL 106 Cb -0.01 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1c3k s VAL 106 CO 0.01 0.49 -0.09 -0.31 0.00 0.00 0.00 175.10 175.20 1c3k s TYR 107 N 0.16 2.88 0.00 5.22 1.51 0.10 -5.00 117.35 122.23 1c3k s TYR 107 Ca 0.03 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1c3k s TYR 107 Cb -0.12 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 1c3k s TYR 107 CO 0.01 0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1c3k n GLY 108 N 2.98 -1.11 3.75 0.71 0.00 -1.26 -1.52 105.19 108.74 1c3k n GLY 108 Ca -0.18 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.39 1c3k n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c3k s PRO 109 N 0.00 2.50 -0.05 1.61 0.04 -1.26 -5.03 135.00 132.80 1c3k s PRO 109 Ca 0.00 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.60 1c3k s PRO 109 Cb 0.00 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1c3k s PRO 109 CO 0.00 -1.51 -0.16 -0.06 0.04 0.00 0.00 177.00 175.31 1c3k s PHE 110 N -2.24 2.64 0.00 0.56 0.40 0.35 -4.95 117.98 114.74 1c3k s PHE 110 Ca 0.69 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 1c3k s PHE 110 Cb -0.23 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1c3k s PHE 110 CO 0.44 0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.89 1c3k n GLY 111 N 2.41 -0.22 3.05 4.36 0.00 -1.26 -1.39 105.19 112.15 1c3k n GLY 111 Ca -0.17 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1c3k n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c3k s THR 112 N 0.00 1.57 -0.24 2.61 2.01 0.57 -4.79 115.64 117.38 1c3k s THR 112 Ca 0.00 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 1c3k s THR 112 Cb 0.00 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1c3k s THR 112 CO 0.00 0.46 1.65 -0.69 -0.69 0.00 0.00 174.62 175.35 1c3k s VAL 113 N 1.13 3.65 0.05 3.82 1.01 -1.26 -3.64 120.40 125.14 1c3k s VAL 113 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1c3k s VAL 113 Cb -0.14 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1c3k s VAL 113 CO -0.04 -0.31 0.06 0.00 0.00 0.00 0.00 175.10 174.81 1c3k n ALA 114 N 8.74 0.06 0.03 5.51 0.00 -1.26 -5.07 120.51 128.53 1c3k n ALA 114 Ca 0.19 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 1c3k n ALA 114 Cb 0.45 0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 1c3k n ALA 114 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1c3k h SER 115 N -0.01 0.67 -3.47 0.00 0.87 -1.95 -3.44 113.55 106.23 1c3k h SER 115 Ca -0.02 -0.79 -0.61 0.00 -1.23 0.00 0.00 61.79 59.14 1c3k h SER 115 Cb 0.09 -0.21 -0.11 0.00 -0.44 0.00 0.00 62.40 61.73 1c3k h SER 115 CO 0.03 1.39 0.35 -0.44 -0.53 0.00 0.00 176.83 177.62 1c3k s SER 116 N -7.02 6.61 0.33 6.23 0.01 -1.24 -5.01 113.70 113.60 1c3k s SER 116 Ca -0.12 0.56 0.08 0.00 1.31 0.00 0.00 55.95 57.78 1c3k s SER 116 Cb 0.04 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 1c3k s SER 116 CO 0.87 -0.61 0.22 -0.94 0.41 0.00 0.00 173.24 173.19 1c3k s SER 117 N 1.66 5.09 0.06 2.44 1.04 -1.26 -1.34 113.70 121.40 1c3k s SER 117 Ca 0.31 -0.56 -0.07 0.00 0.48 0.00 0.00 55.95 56.10 1c3k s SER 117 Cb -0.14 -0.94 -0.01 0.00 0.10 0.00 0.00 66.02 65.04 1c3k s SER 117 CO 0.13 -0.29 0.15 0.72 0.98 0.00 0.00 173.24 174.93 1c3k s PHE 118 N -2.33 0.18 -0.18 5.02 -0.12 -0.49 -4.96 117.98 115.10 1c3k s PHE 118 Ca 0.39 -0.54 -0.15 0.00 -0.05 0.00 0.00 56.93 56.57 1c3k s PHE 118 Cb -0.05 -0.10 0.05 0.00 -0.63 0.00 0.00 43.02 42.29 1c3k s PHE 118 CO 0.25 -0.47 0.48 -1.54 -0.05 0.00 0.00 175.22 173.89 1c3k s SER 119 N -2.55 -0.53 -0.48 1.98 1.04 -1.26 -1.70 113.70 110.20 1c3k s SER 119 Ca 0.01 0.98 0.03 0.00 0.48 0.00 0.00 55.95 57.45 1c3k s SER 119 Cb 0.03 0.96 0.16 0.00 0.10 0.00 0.00 66.02 67.26 1c3k s SER 119 CO -0.08 -0.18 0.34 -0.22 0.98 0.00 0.00 173.24 174.08 1c3k s LEU 120 N 0.57 2.51 0.27 2.42 2.96 0.24 -5.00 118.68 122.65 1c3k s LEU 120 Ca -0.03 -3.05 -0.08 0.00 -0.22 0.00 0.00 54.13 50.76 1c3k s LEU 120 Cb -0.04 -0.87 -0.06 0.00 0.50 0.00 0.00 46.19 45.71 1c3k s LEU 120 CO -0.03 -0.19 0.57 -2.16 -1.32 0.00 0.00 176.35 173.22 1c3k s PRO 121 N -0.12 3.73 -0.20 0.98 0.04 -1.26 -2.35 135.00 135.81 1c3k s PRO 121 Ca 0.25 0.17 -0.02 0.00 0.04 0.00 0.00 61.00 61.45 1c3k s PRO 121 Cb -0.08 -2.63 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 1c3k s PRO 121 CO -0.12 0.24 -0.10 -0.51 0.04 0.00 0.00 177.00 176.55 1c3k s LEU 122 N -3.22 2.65 0.13 -3.56 1.43 0.08 -4.94 118.68 111.25 1c3k s LEU 122 Ca 0.46 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 53.20 1c3k s LEU 122 Cb -0.11 -1.65 -0.15 0.00 0.03 0.00 0.00 46.19 44.32 1c3k s LEU 122 CO 0.26 0.01 1.21 0.74 0.23 0.00 0.00 176.35 178.80 1c3k h THR 123 N 5.74 1.36 -2.88 5.49 2.02 -1.98 -3.46 112.91 119.20 1c3k h THR 123 Ca -0.41 -3.00 -0.14 0.00 0.77 0.00 0.00 66.41 63.64 1c3k h THR 123 Cb 1.16 2.66 -0.25 0.00 -1.74 0.00 0.00 68.15 69.98 1c3k h THR 123 CO 0.61 0.77 -0.32 -0.75 0.37 0.00 0.00 175.52 176.20 1c3k s LYS 124 N -2.76 0.39 0.00 6.66 2.47 -1.26 -5.12 119.74 120.11 1c3k s LYS 124 Ca 0.01 0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.94 1c3k s LYS 124 Cb 0.09 0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.61 1c3k s LYS 124 CO 0.80 -0.07 0.00 0.41 0.16 0.00 0.00 175.35 176.65 1c3k n GLY 125 N 3.16 -0.85 3.31 5.54 0.00 -1.26 -4.96 105.19 110.13 1c3k n GLY 125 Ca -0.15 -2.21 -0.09 0.00 0.00 0.00 0.00 46.02 43.56 1c3k n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3k s LYS 126 N -0.29 1.10 -0.45 1.61 1.02 0.12 -4.98 119.74 117.87 1c3k s LYS 126 Ca 0.00 -1.14 -0.23 0.00 0.02 0.00 0.00 55.97 54.62 1c3k s LYS 126 Cb 0.00 0.37 0.03 0.00 -0.52 0.00 0.00 37.83 37.71 1c3k s LYS 126 CO 0.00 -0.40 0.80 -0.06 -0.92 0.00 0.00 175.35 174.77 1c3k s PHE 127 N -3.95 2.99 0.13 3.18 0.40 -1.26 -1.01 117.98 118.46 1c3k s PHE 127 Ca 0.15 0.20 0.27 0.00 -0.60 0.00 0.00 56.93 56.95 1c3k s PHE 127 Cb 0.04 -3.69 1.09 0.00 0.51 0.00 0.00 43.02 40.97 1c3k s PHE 127 CO -0.02 -0.99 1.89 0.00 0.70 0.00 0.00 175.22 176.80 1c3k h ALA 128 N 8.98 1.03 0.00 5.36 0.00 -1.08 -3.44 119.26 130.11 1c3k h ALA 128 Ca -0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1c3k h ALA 128 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1c3k h ALA 128 CO 0.97 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.80 1c3k n GLY 129 N 0.07 -0.57 3.19 0.00 0.00 -0.97 -1.33 105.19 105.59 1c3k n GLY 129 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1c3k n GLY 129 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c3k s PHE 130 N -3.61 1.03 0.28 1.61 0.08 -0.09 -0.94 117.98 116.34 1c3k s PHE 130 Ca 0.00 -1.14 -0.10 0.00 0.12 0.00 0.00 56.93 55.81 1c3k s PHE 130 Cb 0.00 -0.59 -0.00 0.00 -0.57 0.00 0.00 43.02 41.86 1c3k s PHE 130 CO 0.00 -0.38 0.48 -0.59 -0.10 0.00 0.00 175.22 174.63 1c3k s PHE 131 N -3.87 0.55 -4.96 0.36 -0.12 -0.86 -0.42 117.98 108.65 1c3k s PHE 131 Ca 0.25 -0.90 0.00 0.00 -0.05 0.00 0.00 56.93 56.23 1c3k s PHE 131 Cb 0.07 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 1c3k s PHE 131 CO 0.03 -1.05 0.00 0.41 -0.05 0.00 0.00 175.22 174.56 1c3k n GLY 132 N -0.43 -0.49 3.26 1.99 0.00 -0.50 -0.33 105.19 108.69 1c3k n GLY 132 Ca -0.01 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 1c3k n GLY 132 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c3k s ASN 133 N -4.00 2.46 0.13 1.61 -0.87 -0.94 0.17 114.94 113.50 1c3k s ASN 133 Ca 0.00 -0.61 -0.19 0.00 -1.57 0.00 0.00 52.86 50.49 1c3k s ASN 133 Cb 0.00 -0.16 0.05 0.00 -0.02 0.00 0.00 41.25 41.12 1c3k s ASN 133 CO 0.00 0.10 0.49 -0.94 -2.57 0.00 0.00 177.10 174.18 1c3k s SER 134 N -1.57 -0.39 0.00 -1.22 1.04 -0.40 -1.46 113.70 109.69 1c3k s SER 134 Ca 0.07 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1c3k s SER 134 Cb -0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1c3k s SER 134 CO 0.03 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1c3k n GLY 135 N -0.24 1.84 0.25 7.32 0.00 -1.26 -0.79 105.19 112.31 1c3k n GLY 135 Ca -0.17 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1c3k n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1c3k h ASP 136 N 0.00 0.47 -3.98 1.61 3.45 -1.95 -2.80 116.42 113.21 1c3k h ASP 136 Ca 0.00 -0.13 -0.35 0.00 0.43 0.00 0.00 57.03 56.98 1c3k h ASP 136 Cb 0.00 -0.13 -0.08 0.00 -0.56 0.00 0.00 39.33 38.56 1c3k h ASP 136 CO 0.00 0.66 -0.30 1.33 -1.57 0.00 0.00 179.24 179.36 1c3k n VAL 137 N -4.18 0.00 -2.90 -1.35 0.24 -1.26 -1.52 118.33 107.37 1c3k n VAL 137 Ca 0.00 -1.55 -0.43 0.00 -2.04 0.00 0.00 64.34 60.32 1c3k n VAL 137 Cb 0.35 0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 33.30 1c3k n VAL 137 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1c3k s LEU 138 N 0.00 4.54 0.14 1.34 2.96 -0.56 -4.37 118.68 122.73 1c3k s LEU 138 Ca 0.17 -1.08 -0.13 0.00 -0.22 0.00 0.00 54.13 52.87 1c3k s LEU 138 Cb 0.01 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 1c3k s LEU 138 CO 0.12 -1.39 1.56 0.44 -1.32 0.00 0.00 176.35 175.76 1c3k h ASP 139 N 9.50 0.80 -5.01 3.68 3.32 -1.56 -0.79 116.42 126.35 1c3k h ASP 139 Ca -0.28 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.40 1c3k h ASP 139 Cb 1.07 -0.22 -0.14 0.00 0.22 0.00 0.00 39.33 40.26 1c3k h ASP 139 CO 1.17 0.95 0.14 -0.94 -1.72 0.00 0.00 179.24 178.84 1c3k s SER 140 N -6.37 -0.51 -0.03 6.45 1.04 -0.94 -0.62 113.70 112.71 1c3k s SER 140 Ca -0.12 0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 1c3k s SER 140 Cb 0.11 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.80 1c3k s SER 140 CO 0.82 -0.86 0.25 -0.51 0.98 0.00 0.00 173.24 173.92 1c3k s ILE 141 N -3.16 0.05 0.31 -1.02 2.07 -0.68 -2.22 121.20 116.56 1c3k s ILE 141 Ca -0.02 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 1c3k s ILE 141 Cb -0.00 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.09 1c3k s ILE 141 CO -0.08 -0.23 0.40 0.61 -1.91 0.00 0.00 174.94 173.74 1c3k n GLY 142 N 1.79 2.37 3.57 1.50 0.00 0.55 -0.77 105.19 114.21 1c3k n GLY 142 Ca -0.19 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 1c3k n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c3k s GLY 143 N -2.97 1.72 -0.36 -0.02 0.00 0.10 -2.03 107.32 103.76 1c3k s GLY 143 Ca 0.28 -1.03 -0.11 0.00 0.00 0.00 0.00 44.72 43.85 1c3k s GLY 143 CO 0.20 -0.89 0.21 0.14 0.00 0.00 0.00 173.10 172.75 1c3k s VAL 144 N -0.97 4.74 0.02 1.40 1.01 -0.11 -0.38 120.40 126.11 1c3k s VAL 144 Ca 0.16 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1c3k s VAL 144 Cb -0.11 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1c3k s VAL 144 CO 0.07 -0.15 -0.21 0.68 0.00 0.00 0.00 175.10 175.48 1c3k s VAL 145 N 1.60 2.53 0.12 2.92 -7.23 -0.59 -0.42 120.40 119.32 1c3k s VAL 145 Ca 0.03 -1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1c3k s VAL 145 Cb -0.18 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 1c3k s VAL 145 CO 0.07 0.43 0.09 0.68 -0.31 0.00 0.00 175.10 176.06 1c3k s VAL 146 N -0.81 0.12 -2.00 1.32 -7.23 -0.18 -4.33 120.40 107.29 1c3k s VAL 146 Ca 0.13 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 58.58 1c3k s VAL 146 Cb -0.10 -1.84 0.07 0.00 0.56 0.00 0.00 36.38 35.07 1c3k s VAL 146 CO 0.03 -0.57 0.64 -2.65 -0.31 0.00 0.00 175.10 172.24