#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jc1 s MET 2 N 0.00 4.75 0.43 -1.46 -1.94 -1.26 -1.07 119.30 118.74 2jc1 s MET 2 Ca 0.00 1.43 0.10 0.00 -1.71 0.00 0.00 55.69 55.51 2jc1 s MET 2 Cb 0.00 -3.33 0.95 0.00 2.01 0.00 0.00 34.83 34.46 2jc1 s MET 2 CO 0.00 0.36 2.05 0.66 -0.01 0.00 0.00 175.02 178.07 2jc1 h SER 3 N 4.96 0.39 -5.09 3.03 4.64 -0.99 -3.41 113.55 117.07 2jc1 h SER 3 Ca -0.44 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 60.77 2jc1 h SER 3 Cb 1.21 -0.09 -0.16 0.00 -0.31 0.00 0.00 62.40 63.04 2jc1 h SER 3 CO 0.70 0.27 -0.37 -0.31 -0.87 0.00 0.00 176.83 176.25 2jc1 s TYR 4 N -5.42 0.06 0.12 4.77 2.02 -1.26 -1.36 117.35 116.28 2jc1 s TYR 4 Ca -0.08 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 56.38 2jc1 s TYR 4 Cb 0.18 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.68 2jc1 s TYR 4 CO 0.73 -0.47 -0.20 0.95 -1.57 0.00 0.00 175.55 174.99 2jc1 s THR 5 N -2.87 1.71 0.02 -0.71 -4.23 -0.14 -4.85 115.64 104.57 2jc1 s THR 5 Ca -0.03 -1.62 0.07 0.00 -1.18 0.00 0.00 61.69 58.93 2jc1 s THR 5 Cb 0.00 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.22 2jc1 s THR 5 CO -0.06 -0.13 -0.19 0.26 -0.54 0.00 0.00 174.62 173.96 2jc1 s TRP 6 N -1.38 1.71 -0.04 3.99 0.52 -1.26 -0.79 118.94 121.70 2jc1 s TRP 6 Ca 0.08 -0.35 0.13 0.00 0.02 0.00 0.00 56.10 55.97 2jc1 s TRP 6 Cb -0.09 -1.05 -0.18 0.00 -1.15 0.00 0.00 33.47 31.01 2jc1 s TRP 6 CO 0.05 0.05 0.91 1.79 0.02 0.00 0.00 176.95 179.76 2jc1 h THR 7 N 4.48 0.95 0.00 2.01 1.35 -1.19 -3.47 112.91 117.04 2jc1 h THR 7 Ca -0.41 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 62.82 2jc1 h THR 7 Cb 1.16 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 2jc1 h THR 7 CO 0.45 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 2jc1 n GLY 8 N 1.44 1.52 3.76 5.82 0.00 -1.26 -5.06 105.19 111.42 2jc1 n GLY 8 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2jc1 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jc1 s ALA 9 N -2.22 3.10 0.50 4.61 0.00 -1.26 -4.99 121.76 121.50 2jc1 s ALA 9 Ca 0.00 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 2jc1 s ALA 9 Cb 0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 2jc1 s ALA 9 CO 0.00 -1.01 0.96 -0.51 0.00 0.00 0.00 175.76 175.20 2jc1 s LEU 10 N -2.86 3.68 -0.30 0.00 1.43 -1.26 -4.79 118.68 114.58 2jc1 s LEU 10 Ca 0.63 1.55 -0.27 0.00 -1.03 0.00 0.00 54.13 55.01 2jc1 s LEU 10 Cb -0.38 -4.47 0.01 0.00 0.03 0.00 0.00 46.19 41.37 2jc1 s LEU 10 CO 0.48 -0.55 0.95 -0.63 0.23 0.00 0.00 176.35 176.83 2jc1 s ILE 11 N -2.55 4.66 0.03 -0.59 1.01 -1.26 -4.81 121.20 117.69 2jc1 s ILE 11 Ca 0.59 1.56 0.02 0.00 0.00 0.00 0.00 60.65 62.82 2jc1 s ILE 11 Cb -0.10 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2jc1 s ILE 11 CO 0.29 -0.32 0.03 0.42 0.00 0.00 0.00 174.94 175.35 2jc1 s THR 12 N 3.27 4.28 0.70 2.92 -4.23 -1.26 -4.90 115.64 116.42 2jc1 s THR 12 Ca 0.40 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 60.11 2jc1 s THR 12 Cb -0.13 -2.97 0.01 0.00 1.34 0.00 0.00 72.50 70.74 2jc1 s THR 12 CO 0.12 0.27 1.06 -2.16 -0.54 0.00 0.00 174.62 173.38 2jc1 s PRO 13 N -1.89 2.91 -0.02 3.99 0.04 -1.26 -4.34 135.00 134.44 2jc1 s PRO 13 Ca 0.23 0.91 0.11 0.00 0.04 0.00 0.00 61.00 62.29 2jc1 s PRO 13 Cb -0.12 -1.99 0.33 0.00 0.04 0.00 0.00 34.50 32.77 2jc1 s PRO 13 CO 0.15 -1.11 1.28 0.00 0.04 0.00 0.00 177.00 177.36 2jc1 s ALA 15 N -1.16 -2.05 0.45 0.00 0.00 -1.26 -5.15 121.76 112.59 2jc1 s ALA 15 Ca 0.25 1.54 -0.25 0.00 0.00 0.00 0.00 51.96 53.50 2jc1 s ALA 15 Cb 0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.12 2jc1 s ALA 15 CO 0.16 -0.61 1.42 0.00 0.00 0.00 0.00 175.76 176.73 2jc1 s ALA 16 N -2.49 3.23 -0.15 0.00 0.00 -1.26 -5.01 121.76 116.08 2jc1 s ALA 16 Ca 0.09 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.51 2jc1 s ALA 16 Cb -0.01 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.53 2jc1 s ALA 16 CO -0.05 -1.18 -0.19 -1.21 0.00 0.00 0.00 175.76 173.13 2jc1 s GLU 17 N -2.45 3.09 -0.11 0.00 2.02 -1.26 -5.12 118.70 114.87 2jc1 s GLU 17 Ca 0.61 -0.81 -0.16 0.00 0.02 0.00 0.00 54.97 54.63 2jc1 s GLU 17 Cb -0.43 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 2jc1 s GLU 17 CO 0.56 -0.04 0.41 -1.21 0.02 0.00 0.00 175.26 175.00 2jc1 s GLU 18 N 0.90 4.22 -0.08 1.61 2.02 -1.26 -4.98 118.70 121.14 2jc1 s GLU 18 Ca -0.04 0.34 0.11 0.00 0.02 0.00 0.00 54.97 55.39 2jc1 s GLU 18 Cb -0.15 -3.39 -0.15 0.00 0.10 0.00 0.00 34.13 30.54 2jc1 s GLU 18 CO -0.03 0.30 0.11 -1.13 0.02 0.00 0.00 175.26 174.53 2jc1 n SER 19 N 3.24 2.28 -4.82 -0.19 3.41 -1.26 -4.52 113.62 111.76 2jc1 n SER 19 Ca -0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.13 2jc1 n SER 19 Cb 0.52 1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 65.44 2jc1 n SER 19 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2jc1 s LYS 20 N -2.46 4.09 -0.04 4.33 2.20 -1.26 -1.05 119.74 125.54 2jc1 s LYS 20 Ca -0.05 0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 55.85 2jc1 s LYS 20 Cb 0.05 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 33.05 2jc1 s LYS 20 CO 0.47 0.64 2.03 -0.11 -0.36 0.00 0.00 175.35 178.02 2jc1 n LEU 21 N 1.83 3.85 -4.76 5.43 7.94 -1.25 -4.90 117.00 125.14 2jc1 n LEU 21 Ca -0.12 0.73 -0.37 0.00 -1.11 0.00 0.00 56.01 55.14 2jc1 n LEU 21 Cb 0.51 -1.51 0.02 0.00 0.53 0.00 0.00 43.42 42.97 2jc1 n LEU 21 CO 0.40 -0.05 0.90 -2.84 -1.11 0.00 0.00 177.39 174.69 2jc1 s PRO 22 N 4.93 3.34 -0.06 1.96 0.02 -1.26 -5.03 135.00 138.90 2jc1 s PRO 22 Ca 0.93 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.98 2jc1 s PRO 22 Cb -0.44 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 31.82 2jc1 s PRO 22 CO 0.42 -0.96 -0.16 0.42 -0.33 0.00 0.00 177.00 176.39 2jc1 s ILE 23 N -1.44 1.38 0.00 2.83 -1.09 -1.26 -4.70 121.20 116.91 2jc1 s ILE 23 Ca 0.70 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 2jc1 s ILE 23 Cb -0.34 -1.21 0.00 0.00 -1.58 0.00 0.00 42.46 39.33 2jc1 s ILE 23 CO 0.40 0.40 0.00 -0.46 -1.23 0.00 0.00 174.94 174.06 2jc1 n ASN 24 N 3.47 1.28 0.23 3.58 0.23 -1.26 -5.01 115.26 117.77 2jc1 n ASN 24 Ca -0.20 -0.22 0.16 0.00 -0.53 0.00 0.00 54.58 53.78 2jc1 n ASN 24 Cb 0.52 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.83 2jc1 n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jc1 h ALA 25 N 1.00 1.00 0.00 -2.53 0.00 -1.99 -3.00 119.26 113.74 2jc1 h ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jc1 h ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jc1 h ALA 25 CO 0.00 0.00 -0.87 1.28 0.00 0.00 0.00 179.25 179.66 2jc1 n LEU 26 N -2.82 0.68 0.05 0.00 4.77 -1.26 -4.60 117.00 113.81 2jc1 n LEU 26 Ca 0.01 0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 2jc1 n LEU 26 Cb 0.29 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2jc1 n LEU 26 CO 0.25 -0.04 0.72 0.28 -1.33 0.00 0.00 177.39 177.27 2jc1 h SER 27 N 0.00 -0.62 0.27 -1.43 0.02 -1.87 -3.01 113.55 106.91 2jc1 h SER 27 Ca 0.00 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2jc1 h SER 27 Cb 0.79 0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2jc1 h SER 27 CO 0.00 -0.27 -0.15 0.78 -1.14 0.00 0.00 176.83 176.05 2jc1 h ASN 28 N -0.33 0.00 0.33 3.07 2.35 -1.81 -0.31 115.58 118.88 2jc1 h ASN 28 Ca 0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2jc1 h ASN 28 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2jc1 h ASN 28 CO -0.20 0.15 -0.19 0.77 -1.65 0.00 0.00 177.43 176.30 2jc1 h SER 29 N 0.00 0.00 0.03 5.81 4.64 -1.83 -3.19 113.55 119.01 2jc1 h SER 29 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2jc1 h SER 29 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 2jc1 h SER 29 CO 0.02 0.19 -2.12 -0.11 -0.87 0.00 0.00 176.83 173.94 2jc1 n LEU 30 N -3.92 2.38 -3.67 5.97 7.94 -0.59 -4.67 117.00 120.43 2jc1 n LEU 30 Ca -0.02 0.20 -0.09 0.00 -1.11 0.00 0.00 56.01 54.99 2jc1 n LEU 30 Cb 0.28 -0.95 -0.10 0.00 0.53 0.00 0.00 43.42 43.18 2jc1 n LEU 30 CO 0.34 0.68 0.10 -0.22 -1.11 0.00 0.00 177.39 177.17 2jc1 s LEU 31 N -7.21 -0.43 -0.16 -1.96 0.20 -0.23 -4.16 118.68 104.73 2jc1 s LEU 31 Ca -0.32 1.05 0.14 0.00 0.69 0.00 0.00 54.13 55.70 2jc1 s LEU 31 Cb 0.09 1.55 -0.24 0.00 -0.43 0.00 0.00 46.19 47.17 2jc1 s LEU 31 CO 0.61 -0.21 0.22 0.54 -0.29 0.00 0.00 176.35 177.22 2jc1 n ARG 32 N 4.65 0.67 -2.55 1.98 1.74 -0.09 -4.13 116.66 118.93 2jc1 n ARG 32 Ca -0.18 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.57 2jc1 n ARG 32 Cb 0.54 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2jc1 n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2jc1 n HIS 33 N -2.89 3.91 0.14 -1.55 8.25 -0.62 -4.79 115.22 117.68 2jc1 n HIS 33 Ca -0.29 -3.03 0.02 0.00 -0.26 0.00 0.00 57.72 54.16 2jc1 n HIS 33 Cb 1.11 -2.14 0.37 0.00 1.12 0.00 0.00 29.99 30.44 2jc1 n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jc1 h HIS 34 N 6.44 0.16 0.00 4.41 3.86 -1.85 -2.79 115.15 125.39 2jc1 h HIS 34 Ca 0.38 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2jc1 h HIS 34 Cb 0.74 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2jc1 h HIS 34 CO 1.22 0.39 0.00 0.09 0.86 0.00 0.00 177.93 180.50 2jc1 n ASN 35 N -4.19 0.00 0.07 2.45 3.02 -1.26 -2.24 115.26 113.11 2jc1 n ASN 35 Ca -0.01 -0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 2jc1 n ASN 35 Cb 0.34 -0.29 0.15 0.00 -0.61 0.00 0.00 39.78 39.38 2jc1 n ASN 35 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2jc1 h MET 36 N 0.00 0.00 -5.42 3.52 2.86 -1.90 -3.46 114.93 110.54 2jc1 h MET 36 Ca 0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 2jc1 h MET 36 Cb 0.19 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.73 2jc1 h MET 36 CO 0.00 0.00 -0.52 0.08 1.06 0.00 0.00 176.91 177.53 2jc1 s VAL 37 N -3.20 5.15 0.12 -2.22 1.01 -0.95 0.08 120.40 120.40 2jc1 s VAL 37 Ca 0.05 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 2jc1 s VAL 37 Cb 0.12 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 2jc1 s VAL 37 CO 0.72 0.50 0.22 -0.72 0.00 0.00 0.00 175.10 175.83 2jc1 s TYR 38 N -0.07 0.25 0.05 5.22 1.13 -0.63 -3.88 117.35 119.41 2jc1 s TYR 38 Ca 0.09 -0.65 0.05 0.00 -1.41 0.00 0.00 57.07 55.15 2jc1 s TYR 38 Cb -0.12 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 2jc1 s TYR 38 CO 0.00 -0.61 -0.11 0.00 -2.51 0.00 0.00 175.55 172.33 2jc1 s ALA 39 N -3.90 2.88 0.53 9.51 0.00 -0.22 -0.89 121.76 129.67 2jc1 s ALA 39 Ca 0.10 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.73 2jc1 s ALA 39 Cb 0.04 -0.95 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 2jc1 s ALA 39 CO -0.07 0.61 1.05 0.95 0.00 0.00 0.00 175.76 178.30 2jc1 s THR 40 N -1.05 3.77 0.23 0.00 -4.23 -0.56 -4.49 115.64 109.31 2jc1 s THR 40 Ca 0.18 1.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2jc1 s THR 40 Cb -0.11 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 2jc1 s THR 40 CO 0.09 -0.33 0.13 0.42 -0.54 0.00 0.00 174.62 174.39 2jc1 s THR 41 N -2.13 0.16 0.34 3.99 -4.23 -1.26 -4.10 115.64 108.41 2jc1 s THR 41 Ca 0.66 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.45 2jc1 s THR 41 Cb -0.17 -2.53 0.27 0.00 1.34 0.00 0.00 72.50 71.41 2jc1 s THR 41 CO 0.26 0.00 1.82 0.77 -0.54 0.00 0.00 174.62 176.93 2jc1 h SER 42 N 2.51 0.00 0.11 3.99 4.64 -1.86 -2.49 113.55 120.44 2jc1 h SER 42 Ca -0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2jc1 h SER 42 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jc1 h SER 42 CO 0.54 0.00 -0.02 0.03 -0.87 0.00 0.00 176.83 176.51 2jc1 h ARG 43 N 0.00 0.00 -0.53 4.77 3.08 -1.96 -0.86 114.38 118.87 2jc1 h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jc1 h ARG 43 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2jc1 h ARG 43 CO 0.00 0.02 0.00 -1.13 -1.07 0.00 0.00 179.97 177.79 2jc1 n SER 44 N -3.47 3.59 -0.32 7.04 3.41 -0.94 -4.61 113.62 118.32 2jc1 n SER 44 Ca -0.03 -1.98 -0.00 0.00 -0.26 0.00 0.00 58.87 56.60 2jc1 n SER 44 Cb 0.11 -0.35 0.17 0.00 -0.26 0.00 0.00 64.21 63.88 2jc1 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jc1 h ALA 45 N 4.04 1.37 -0.80 7.33 0.00 -1.31 -2.06 119.26 127.83 2jc1 h ALA 45 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2jc1 h ALA 45 Cb 0.94 -0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 2jc1 h ALA 45 CO 0.00 0.57 0.41 1.03 0.00 0.00 0.00 179.25 181.25 2jc1 h SER 46 N 1.21 0.50 -0.74 0.00 0.87 -1.81 0.23 113.55 113.82 2jc1 h SER 46 Ca 0.35 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 2jc1 h SER 46 Cb -0.08 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2jc1 h SER 46 CO -0.09 0.24 0.34 -0.07 -0.53 0.00 0.00 176.83 176.72 2jc1 h LEU 47 N 0.62 0.98 -0.41 2.23 3.38 -1.71 -2.74 115.31 117.66 2jc1 h LEU 47 Ca 0.42 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2jc1 h LEU 47 Cb 0.54 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jc1 h LEU 47 CO -0.33 0.85 -0.21 -0.09 0.09 0.00 0.00 178.44 178.75 2jc1 h ARG 48 N 1.04 0.87 -0.85 1.13 9.65 -1.17 -2.83 114.38 122.22 2jc1 h ARG 48 Ca 0.25 -0.38 0.17 0.00 -1.10 0.00 0.00 59.98 58.92 2jc1 h ARG 48 Cb 0.14 -0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 28.59 2jc1 h ARG 48 CO -0.03 1.03 0.40 1.96 2.80 0.00 0.00 179.97 186.12 2jc1 h GLN 49 N 0.68 0.49 -0.58 0.20 4.20 -0.44 -0.25 115.11 119.42 2jc1 h GLN 49 Ca 0.09 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 2jc1 h GLN 49 Cb 0.77 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2jc1 h GLN 49 CO 0.06 0.33 -0.02 0.87 -0.67 0.00 0.00 178.83 179.40 2jc1 h LYS 50 N 0.51 1.02 -0.51 1.46 1.57 -1.30 -2.76 116.57 116.56 2jc1 h LYS 50 Ca 0.49 -0.33 -0.12 0.00 -1.87 0.00 0.00 60.65 58.82 2jc1 h LYS 50 Cb 0.81 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2jc1 h LYS 50 CO -0.43 1.01 -0.17 0.87 -0.57 0.00 0.00 179.45 180.15 2jc1 h LYS 51 N 0.93 1.01 -0.00 3.15 1.57 -0.85 -3.22 116.57 119.15 2jc1 h LYS 51 Ca 0.16 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2jc1 h LYS 51 Cb 0.57 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jc1 h LYS 51 CO 0.03 1.09 -0.21 1.33 -0.57 0.00 0.00 179.45 181.12 2jc1 n VAL 52 N -4.12 0.00 -3.61 0.50 0.24 -0.59 -4.77 118.33 105.98 2jc1 n VAL 52 Ca 0.01 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.34 61.86 2jc1 n VAL 52 Cb 0.44 -0.02 -0.11 0.00 -1.47 0.00 0.00 33.84 32.67 2jc1 n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jc1 s THR 53 N -2.72 4.49 0.25 3.34 2.01 -1.05 -4.67 115.64 117.28 2jc1 s THR 53 Ca 0.21 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 2jc1 s THR 53 Cb 0.19 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 69.19 2jc1 s THR 53 CO 0.55 -0.27 0.65 0.72 -0.69 0.00 0.00 174.62 175.58 2jc1 s PHE 54 N 1.53 -0.20 0.22 4.92 -0.12 -1.26 -4.94 117.98 118.14 2jc1 s PHE 54 Ca 0.02 -0.20 -0.28 0.00 -0.05 0.00 0.00 56.93 56.42 2jc1 s PHE 54 Cb -0.20 0.60 -0.09 0.00 -0.63 0.00 0.00 43.02 42.71 2jc1 s PHE 54 CO 0.06 -1.11 0.88 0.34 -0.05 0.00 0.00 175.22 175.34 2jc1 s ASP 55 N -2.89 7.50 -0.14 1.98 2.15 -1.26 -0.36 116.67 123.64 2jc1 s ASP 55 Ca 0.10 1.81 -0.03 0.00 0.43 0.00 0.00 52.55 54.87 2jc1 s ASP 55 Cb -0.04 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.99 2jc1 s ASP 55 CO 0.02 0.14 -0.06 -0.13 -0.17 0.00 0.00 175.17 174.98 2jc1 s ARG 56 N -1.31 3.56 0.03 4.34 3.00 -0.23 -4.94 118.95 123.39 2jc1 s ARG 56 Ca 0.40 -0.56 0.06 0.00 0.00 0.00 0.00 55.73 55.63 2jc1 s ARG 56 Cb -0.24 -2.83 -0.03 0.00 0.00 0.00 0.00 34.95 31.85 2jc1 s ARG 56 CO 0.29 0.26 -0.16 -0.51 0.00 0.00 0.00 175.30 175.18 2jc1 s LEU 57 N 0.30 2.71 -0.02 2.53 1.43 -1.26 -4.04 118.68 120.33 2jc1 s LEU 57 Ca -0.05 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2jc1 s LEU 57 Cb -0.14 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2jc1 s LEU 57 CO 0.04 0.27 -0.01 -1.10 0.23 0.00 0.00 176.35 175.77 2jc1 s GLN 58 N -1.39 0.31 -0.18 1.70 -0.21 -1.26 -3.94 119.66 114.70 2jc1 s GLN 58 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 55.36 55.53 2jc1 s GLN 58 Cb -0.11 -0.42 0.04 0.00 1.00 0.00 0.00 33.01 33.53 2jc1 s GLN 58 CO 0.05 -0.06 -0.06 0.08 -2.12 0.00 0.00 175.29 173.18 2jc1 s VAL 59 N 0.64 1.26 -0.19 1.09 1.01 0.30 -5.02 120.40 119.48 2jc1 s VAL 59 Ca -0.07 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 2jc1 s VAL 59 Cb -0.10 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2jc1 s VAL 59 CO -0.01 0.11 -0.08 -0.76 0.00 0.00 0.00 175.10 174.36 2jc1 s LEU 60 N 1.56 2.80 0.00 3.92 1.43 -1.26 -4.26 118.68 122.87 2jc1 s LEU 60 Ca -0.00 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2jc1 s LEU 60 Cb -0.16 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.40 2jc1 s LEU 60 CO -0.08 0.03 0.19 -0.90 0.23 0.00 0.00 176.35 175.82 2jc1 n ASP 61 N 4.44 1.47 -0.22 2.29 5.75 -1.26 -4.99 116.55 124.03 2jc1 n ASP 61 Ca -0.18 -1.69 -0.07 0.00 -0.01 0.00 0.00 54.79 52.84 2jc1 n ASP 61 Cb 0.51 -0.05 0.04 0.00 -1.03 0.00 0.00 41.12 40.59 2jc1 n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2jc1 h ASP 62 N 0.20 0.79 -0.64 -1.12 3.32 -1.99 -2.58 116.42 114.41 2jc1 h ASP 62 Ca -0.13 -0.11 0.10 0.00 0.02 0.00 0.00 57.03 56.91 2jc1 h ASP 62 Cb 0.48 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.76 2jc1 h ASP 62 CO 0.19 0.68 0.24 0.45 -1.72 0.00 0.00 179.24 179.08 2jc1 h HIS 63 N 0.84 0.42 0.08 4.55 3.86 -1.97 0.35 115.15 123.29 2jc1 h HIS 63 Ca 0.22 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 2jc1 h HIS 63 Cb 0.08 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 2jc1 h HIS 63 CO -0.00 0.10 -0.24 -0.92 0.86 0.00 0.00 177.93 177.73 2jc1 h TYR 64 N 0.42 -0.63 -0.28 2.45 3.20 -1.81 -1.74 116.97 118.58 2jc1 h TYR 64 Ca 0.33 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.14 2jc1 h TYR 64 Cb 0.42 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2jc1 h TYR 64 CO -0.17 -0.33 -0.13 0.00 -1.64 0.00 0.00 178.16 175.89 2jc1 h ARG 65 N -0.42 0.47 -0.28 1.82 3.08 -1.02 -1.08 114.38 116.95 2jc1 h ARG 65 Ca 0.04 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.96 2jc1 h ARG 65 Cb 0.46 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2jc1 h ARG 65 CO -0.16 0.60 0.16 -0.44 -1.07 0.00 0.00 179.97 179.06 2jc1 h ASP 66 N 0.44 0.26 -0.33 7.04 3.32 -0.13 -0.47 116.42 126.55 2jc1 h ASP 66 Ca 0.08 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2jc1 h ASP 66 Cb 0.50 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2jc1 h ASP 66 CO 0.03 0.19 -0.02 0.58 -1.72 0.00 0.00 179.24 178.30 2jc1 h VAL 67 N 0.33 1.26 -0.32 -1.35 2.07 -1.17 -2.55 116.25 114.53 2jc1 h VAL 67 Ca 0.11 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.68 2jc1 h VAL 67 Cb 0.00 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2jc1 h VAL 67 CO -0.05 0.33 0.04 0.25 0.02 0.00 0.00 177.57 178.15 2jc1 h LEU 68 N 0.39 -0.05 -0.81 2.57 5.85 -1.08 0.68 115.31 122.85 2jc1 h LEU 68 Ca 0.09 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.95 2jc1 h LEU 68 Cb 0.48 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 2jc1 h LEU 68 CO 0.02 0.01 0.48 0.50 -0.34 0.00 0.00 178.44 179.11 2jc1 h LYS 69 N 0.14 0.80 -0.64 1.25 3.64 -1.06 -0.37 116.57 120.34 2jc1 h LYS 69 Ca 0.15 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2jc1 h LYS 69 Cb 0.18 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2jc1 h LYS 69 CO -0.22 0.53 0.21 0.93 -2.27 0.00 0.00 179.45 178.63 2jc1 h GLU 70 N 0.83 0.97 -0.38 1.90 5.08 -0.90 -1.46 114.58 120.62 2jc1 h GLU 70 Ca 0.38 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 2jc1 h GLU 70 Cb 0.29 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2jc1 h GLU 70 CO -0.22 0.82 -0.32 0.52 -1.00 0.00 0.00 179.01 178.81 2jc1 h MET 71 N 0.94 0.90 -0.59 2.33 2.86 -0.17 -2.77 114.93 118.42 2jc1 h MET 71 Ca 0.21 -0.45 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 2jc1 h MET 71 Cb 0.25 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2jc1 h MET 71 CO -0.01 1.10 0.09 0.87 1.06 0.00 0.00 176.91 180.02 2jc1 h LYS 72 N 0.71 0.96 -0.59 1.72 1.57 -0.94 -0.33 116.57 119.67 2jc1 h LYS 72 Ca 0.07 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2jc1 h LYS 72 Cb 0.91 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 2jc1 h LYS 72 CO 0.08 0.89 0.38 0.00 -0.57 0.00 0.00 179.45 180.24 2jc1 h ALA 73 N 1.19 0.75 -0.27 3.86 0.00 -1.16 -0.09 119.26 123.55 2jc1 h ALA 73 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2jc1 h ALA 73 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jc1 h ALA 73 CO 0.01 0.16 0.04 0.87 0.00 0.00 0.00 179.25 180.33 2jc1 h LYS 74 N 0.78 0.44 -0.49 0.00 1.57 -1.27 -3.13 116.57 114.47 2jc1 h LYS 74 Ca 0.22 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2jc1 h LYS 74 Cb -0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2jc1 h LYS 74 CO -0.06 0.56 0.33 0.00 -0.57 0.00 0.00 179.45 179.71 2jc1 h ALA 75 N 0.86 1.95 0.00 3.86 0.00 -0.72 -0.05 119.26 125.17 2jc1 h ALA 75 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jc1 h ALA 75 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jc1 h ALA 75 CO 0.01 -0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.64 2jc1 n SER 76 N -4.47 0.44 0.01 0.00 7.64 -0.08 -1.54 113.62 115.62 2jc1 n SER 76 Ca 0.07 0.67 0.12 0.00 1.01 0.00 0.00 58.87 60.73 2jc1 n SER 76 Cb 0.27 -0.74 0.26 0.00 -1.01 0.00 0.00 64.21 62.99 2jc1 n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jc1 n THR 77 N -2.05 0.05 -2.75 0.44 -2.24 -0.03 -4.60 114.28 103.10 2jc1 n THR 77 Ca 0.00 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 2jc1 n THR 77 Cb 0.09 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 2jc1 n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jc1 s VAL 78 N -3.03 4.79 -0.22 2.28 1.01 -0.59 -4.94 120.40 119.71 2jc1 s VAL 78 Ca 0.10 2.00 -0.04 0.00 0.00 0.00 0.00 61.98 64.05 2jc1 s VAL 78 Cb 0.17 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 2jc1 s VAL 78 CO 0.69 0.21 -0.04 -0.75 0.00 0.00 0.00 175.10 175.21 2jc1 s LYS 79 N 0.71 3.36 0.17 2.72 2.20 -1.26 0.10 119.74 127.73 2jc1 s LYS 79 Ca 0.49 -0.64 0.11 0.00 -0.36 0.00 0.00 55.97 55.58 2jc1 s LYS 79 Cb -0.21 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2jc1 s LYS 79 CO 0.27 -0.21 -0.25 0.00 -0.36 0.00 0.00 175.35 174.81 2jc1 s ALA 80 N 1.47 2.45 0.20 3.13 0.00 -0.66 -4.95 121.76 123.41 2jc1 s ALA 80 Ca 0.06 -1.57 0.08 0.00 0.00 0.00 0.00 51.96 50.53 2jc1 s ALA 80 Cb -0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2jc1 s ALA 80 CO -0.03 0.46 -0.01 -1.59 0.00 0.00 0.00 175.76 174.59 2jc1 s LYS 81 N -2.46 2.35 0.27 0.00 -2.85 -1.26 -4.45 119.74 111.34 2jc1 s LYS 81 Ca 0.18 -1.21 -0.29 0.00 -1.00 0.00 0.00 55.97 53.64 2jc1 s LYS 81 Cb -0.09 -2.29 -0.09 0.00 -2.06 0.00 0.00 37.83 33.30 2jc1 s LYS 81 CO 0.08 0.42 1.14 -1.17 0.10 0.00 0.00 175.35 175.92 2jc1 s LEU 82 N -3.17 4.52 0.17 2.77 2.96 -1.26 -4.48 118.68 120.19 2jc1 s LEU 82 Ca 0.28 2.31 -0.24 0.00 -0.22 0.00 0.00 54.13 56.26 2jc1 s LEU 82 Cb -0.08 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 2jc1 s LEU 82 CO 0.19 -0.22 0.76 -0.76 -1.32 0.00 0.00 176.35 175.00 2jc1 s LEU 83 N -1.33 4.57 0.82 -0.68 1.02 -0.41 -5.05 118.68 117.61 2jc1 s LEU 83 Ca 0.46 1.61 -0.10 0.00 0.02 0.00 0.00 54.13 56.11 2jc1 s LEU 83 Cb -0.33 -3.30 0.09 0.00 0.02 0.00 0.00 46.19 42.66 2jc1 s LEU 83 CO 0.42 0.20 1.11 -0.94 0.02 0.00 0.00 176.35 177.16 2jc1 s SER 84 N -1.20 3.95 0.22 2.29 1.04 -1.26 -4.63 113.70 114.11 2jc1 s SER 84 Ca 0.36 1.96 -0.13 0.00 0.48 0.00 0.00 55.95 58.62 2jc1 s SER 84 Cb -0.22 -2.54 0.26 0.00 0.10 0.00 0.00 66.02 63.62 2jc1 s SER 84 CO 0.25 -2.41 1.62 0.58 0.98 0.00 0.00 173.24 174.27 2jc1 h VAL 85 N -1.37 0.35 -0.14 5.02 2.07 -1.98 -1.57 116.25 118.64 2jc1 h VAL 85 Ca -0.43 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.12 2jc1 h VAL 85 Cb 1.24 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2jc1 h VAL 85 CO 0.48 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 177.63 2jc1 h GLU 86 N 0.01 -0.12 -0.39 1.57 3.07 -1.97 0.27 114.58 117.01 2jc1 h GLU 86 Ca 0.32 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.24 2jc1 h GLU 86 Cb 0.50 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.39 2jc1 h GLU 86 CO -0.67 -0.08 0.12 0.93 -1.40 0.00 0.00 179.01 177.92 2jc1 h GLU 87 N -0.13 0.27 -0.55 2.33 5.08 -1.83 -1.44 114.58 118.31 2jc1 h GLU 87 Ca 0.09 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2jc1 h GLU 87 Cb 0.26 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2jc1 h GLU 87 CO -0.22 0.18 0.04 0.00 -1.00 0.00 0.00 179.01 178.00 2jc1 h ALA 88 N 1.26 0.73 -0.83 3.43 0.00 -0.94 -2.64 119.26 120.27 2jc1 h ALA 88 Ca 0.18 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.93 2jc1 h ALA 88 Cb 0.18 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2jc1 h ALA 88 CO -0.20 0.52 0.46 0.00 0.00 0.00 0.00 179.25 180.03 2jc1 h LYS 90 N 0.74 0.00 0.00 0.00 1.57 -0.90 -2.50 116.57 115.48 2jc1 h LYS 90 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2jc1 h LYS 90 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2jc1 h LYS 90 CO -0.28 0.00 -0.13 1.28 -0.57 0.00 0.00 179.45 179.75 2jc1 n LEU 91 N -2.98 0.15 -4.69 2.94 4.77 -0.82 -4.86 117.00 111.51 2jc1 n LEU 91 Ca -0.00 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.93 2jc1 n LEU 91 Cb 0.24 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2jc1 n LEU 91 CO 0.24 0.03 0.73 -0.89 -1.33 0.00 0.00 177.39 176.18 2jc1 s THR 92 N -3.00 4.82 0.28 -5.08 2.01 -0.94 -0.58 115.64 113.15 2jc1 s THR 92 Ca 0.13 2.00 -0.30 0.00 0.31 0.00 0.00 61.69 63.82 2jc1 s THR 92 Cb 0.18 -4.29 -0.12 0.00 0.01 0.00 0.00 72.50 68.29 2jc1 s THR 92 CO 0.58 0.06 1.63 -2.65 -0.69 0.00 0.00 174.62 173.54 2jc1 n PRO 93 N 4.69 2.74 -0.38 4.92 -0.02 -1.26 -4.77 135.00 140.92 2jc1 n PRO 93 Ca 0.07 0.98 0.35 0.00 -2.02 0.00 0.00 63.50 62.88 2jc1 n PRO 93 Cb 0.49 -2.78 0.70 0.00 -0.02 0.00 0.00 33.50 31.89 2jc1 n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jc1 h PRO 94 N 5.18 0.09 -0.41 0.52 0.11 -1.95 -1.47 132.00 134.06 2jc1 h PRO 94 Ca -0.46 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2jc1 h PRO 94 Cb 1.22 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2jc1 h PRO 94 CO 0.82 0.06 0.06 0.72 -0.21 0.00 0.00 178.00 179.45 2jc1 n HIS 95 N -4.30 1.40 -1.91 0.65 8.25 -1.26 -4.21 115.22 113.84 2jc1 n HIS 95 Ca 0.29 -1.14 -0.38 0.00 -0.26 0.00 0.00 57.72 56.23 2jc1 n HIS 95 Cb 1.29 -0.46 0.03 0.00 1.12 0.00 0.00 29.99 31.96 2jc1 n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jc1 s SER 96 N -1.84 5.45 0.14 0.41 0.15 -0.55 -4.89 113.70 112.57 2jc1 s SER 96 Ca 0.46 2.63 -0.34 0.00 0.70 0.00 0.00 55.95 59.40 2jc1 s SER 96 Cb 0.39 -2.62 -0.16 0.00 -1.71 0.00 0.00 66.02 61.91 2jc1 s SER 96 CO 0.08 -1.44 1.34 0.00 1.20 0.00 0.00 173.24 174.42 2jc1 n ALA 97 N -0.97 -0.28 -1.35 5.45 0.00 -1.26 -4.30 120.51 117.80 2jc1 n ALA 97 Ca 0.10 0.48 -0.33 0.00 0.00 0.00 0.00 53.44 53.69 2jc1 n ALA 97 Cb 0.46 -2.13 0.08 0.00 0.00 0.00 0.00 19.45 17.86 2jc1 n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2jc1 s LYS 98 N 0.20 2.36 0.42 0.00 -2.85 -1.26 -4.54 119.74 114.08 2jc1 s LYS 98 Ca 0.78 1.45 -0.24 0.00 -1.00 0.00 0.00 55.97 56.96 2jc1 s LYS 98 Cb -0.84 -1.89 -0.08 0.00 -2.06 0.00 0.00 37.83 32.95 2jc1 s LYS 98 CO 0.47 -1.60 1.10 0.45 0.10 0.00 0.00 175.35 175.87 2jc1 s SER 99 N -2.62 6.54 0.18 0.03 0.15 -0.14 -4.63 113.70 113.21 2jc1 s SER 99 Ca 0.67 2.16 0.13 0.00 0.70 0.00 0.00 55.95 59.61 2jc1 s SER 99 Cb -0.22 -2.59 0.67 0.00 -1.71 0.00 0.00 66.02 62.17 2jc1 s SER 99 CO 0.47 -0.65 1.38 0.29 1.20 0.00 0.00 173.24 175.93 2jc1 n LYS 100 N -0.18 0.08 -0.94 5.44 5.02 -1.26 -3.63 118.16 122.69 2jc1 n LYS 100 Ca 0.06 0.57 -0.10 0.00 -2.02 0.00 0.00 58.31 56.81 2jc1 n LYS 100 Cb 0.49 -1.76 0.19 0.00 -0.02 0.00 0.00 35.03 33.93 2jc1 n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jc1 n PHE 101 N -1.93 1.63 -0.80 2.13 3.72 -1.26 -4.92 117.46 116.03 2jc1 n PHE 101 Ca -0.01 -1.69 0.00 0.00 -0.05 0.00 0.00 57.45 55.70 2jc1 n PHE 101 Cb 0.03 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 37.95 2jc1 n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jc1 n GLY 102 N -1.13 0.81 3.40 1.37 0.00 -1.24 -5.04 105.19 103.35 2jc1 n GLY 102 Ca 0.41 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2jc1 n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jc1 s TYR 103 N -2.00 -0.02 0.04 1.61 1.13 -1.26 -4.97 117.35 111.87 2jc1 s TYR 103 Ca 0.00 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 2jc1 s TYR 103 Cb 0.00 0.23 -0.00 0.00 -1.10 0.00 0.00 41.96 41.09 2jc1 s TYR 103 CO 0.00 -0.79 0.00 0.41 -2.51 0.00 0.00 175.55 172.67 2jc1 n GLY 104 N -0.26 4.11 0.36 5.49 0.00 -1.26 -0.97 105.19 112.66 2jc1 n GLY 104 Ca -0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 46.02 43.76 2jc1 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jc1 h ALA 105 N 1.04 1.22 -0.38 4.61 0.00 -1.84 -1.17 119.26 122.74 2jc1 h ALA 105 Ca -0.03 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2jc1 h ALA 105 Cb 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2jc1 h ALA 105 CO 0.05 0.60 -0.28 0.87 0.00 0.00 0.00 179.25 180.50 2jc1 h LYS 106 N 1.29 0.81 -0.75 0.00 1.57 -1.88 -0.60 116.57 117.01 2jc1 h LYS 106 Ca 0.35 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2jc1 h LYS 106 Cb -0.14 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 2jc1 h LYS 106 CO -0.08 0.99 0.49 -0.44 -0.57 0.00 0.00 179.45 179.83 2jc1 h ASP 107 N 0.69 0.83 0.36 0.86 3.32 -1.88 -0.21 116.42 120.39 2jc1 h ASP 107 Ca 0.08 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2jc1 h ASP 107 Cb 0.81 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2jc1 h ASP 107 CO 0.07 0.60 -0.17 0.58 -1.72 0.00 0.00 179.24 178.59 2jc1 h VAL 108 N 0.99 0.66 -0.54 -1.35 2.07 -0.93 -0.19 116.25 116.95 2jc1 h VAL 108 Ca 0.28 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 2jc1 h VAL 108 Cb -0.08 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2jc1 h VAL 108 CO -0.07 0.03 0.27 0.03 0.02 0.00 0.00 177.57 177.85 2jc1 h ARG 109 N -0.57 0.75 0.00 1.57 3.08 -1.01 -0.77 114.38 117.43 2jc1 h ARG 109 Ca -0.05 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2jc1 h ARG 109 Cb 0.42 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2jc1 h ARG 109 CO 0.08 0.57 0.00 0.09 -1.07 0.00 0.00 179.97 179.64 2jc1 n ASN 110 N -4.38 0.00 -3.75 7.04 3.02 -0.10 -4.81 115.26 112.27 2jc1 n ASN 110 Ca 0.05 -0.37 -0.25 0.00 -0.03 0.00 0.00 54.58 53.98 2jc1 n ASN 110 Cb 0.12 -0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2jc1 n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jc1 n LEU 111 N -1.20 -2.99 -4.75 3.41 4.77 -0.30 -4.95 117.00 110.99 2jc1 n LEU 111 Ca 0.16 -0.75 -0.38 0.00 -0.03 0.00 0.00 56.01 55.02 2jc1 n LEU 111 Cb 0.19 -2.71 0.05 0.00 -2.33 0.00 0.00 43.42 38.62 2jc1 n LEU 111 CO 0.20 0.47 0.95 -0.94 -1.33 0.00 0.00 177.39 176.74 2jc1 s SER 112 N -3.77 5.12 0.28 -1.43 1.04 -0.22 -4.80 113.70 109.91 2jc1 s SER 112 Ca 0.36 2.69 -0.01 0.00 0.48 0.00 0.00 55.95 59.47 2jc1 s SER 112 Cb -0.18 -2.63 0.39 0.00 0.10 0.00 0.00 66.02 63.71 2jc1 s SER 112 CO 0.80 -1.67 1.81 0.77 0.98 0.00 0.00 173.24 175.93 2jc1 h SER 113 N 1.20 0.74 0.31 7.02 4.64 -1.92 -0.16 113.55 125.37 2jc1 h SER 113 Ca -0.51 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 60.66 2jc1 h SER 113 Cb 1.31 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2jc1 h SER 113 CO 0.56 0.77 -0.26 0.50 -0.87 0.00 0.00 176.83 177.52 2jc1 h LYS 114 N 0.75 -0.56 -0.35 4.77 3.64 -1.96 0.92 116.57 123.77 2jc1 h LYS 114 Ca 0.16 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2jc1 h LYS 114 Cb 0.35 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2jc1 h LYS 114 CO 0.01 -0.37 0.15 0.00 -2.27 0.00 0.00 179.45 176.96 2jc1 h ALA 115 N 0.03 0.42 -0.04 5.00 0.00 -1.75 -2.05 119.26 120.87 2jc1 h ALA 115 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jc1 h ALA 115 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jc1 h ALA 115 CO -0.03 -0.23 0.01 0.28 0.00 0.00 0.00 179.25 179.28 2jc1 h VAL 116 N 0.32 1.17 -0.52 0.00 2.07 -0.96 -1.24 116.25 117.08 2jc1 h VAL 116 Ca 0.15 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.22 2jc1 h VAL 116 Cb 0.09 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 2jc1 h VAL 116 CO -0.13 0.14 0.23 0.78 0.02 0.00 0.00 177.57 178.61 2jc1 h ASN 117 N -0.14 0.29 -0.75 0.57 2.35 -0.77 0.09 115.58 117.21 2jc1 h ASN 117 Ca 0.01 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2jc1 h ASN 117 Cb 0.22 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 2jc1 h ASN 117 CO -0.00 0.20 0.41 0.45 -1.65 0.00 0.00 177.43 176.83 2jc1 h HIS 118 N 0.44 1.03 -0.39 1.19 3.86 -1.25 -1.46 115.15 118.58 2jc1 h HIS 118 Ca 0.24 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 2jc1 h HIS 118 Cb 0.22 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2jc1 h HIS 118 CO -0.13 0.73 0.17 0.82 0.86 0.00 0.00 177.93 180.38 2jc1 h ILE 119 N 1.04 1.19 -0.98 2.45 2.04 -0.59 0.17 117.51 122.83 2jc1 h ILE 119 Ca 0.26 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.65 2jc1 h ILE 119 Cb 0.04 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2jc1 h ILE 119 CO -0.04 0.20 0.63 0.45 0.00 0.00 0.00 178.15 179.39 2jc1 h HIS 120 N 0.49 1.15 -0.27 1.37 3.86 -0.84 -0.73 115.15 120.19 2jc1 h HIS 120 Ca 0.13 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.23 2jc1 h HIS 120 Cb 0.16 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 2jc1 h HIS 120 CO -0.01 0.57 -0.42 0.66 0.86 0.00 0.00 177.93 179.60 2jc1 h SER 121 N 1.10 0.69 -0.36 2.45 4.64 -0.35 -1.46 113.55 120.26 2jc1 h SER 121 Ca 0.44 -0.32 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 2jc1 h SER 121 Cb 0.25 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2jc1 h SER 121 CO -0.18 1.02 0.04 0.58 -0.87 0.00 0.00 176.83 177.42 2jc1 h VAL 122 N 0.53 1.25 -0.32 0.95 2.07 -0.19 -2.05 116.25 118.48 2jc1 h VAL 122 Ca 0.04 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.71 2jc1 h VAL 122 Cb 0.94 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2jc1 h VAL 122 CO 0.09 0.30 0.09 -0.25 0.02 0.00 0.00 177.57 177.82 2jc1 h TRP 123 N 0.45 0.17 -0.72 1.57 2.91 -1.10 -0.91 115.95 118.32 2jc1 h TRP 123 Ca 0.11 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.10 2jc1 h TRP 123 Cb 0.39 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 28.98 2jc1 h TRP 123 CO 0.03 0.06 0.27 -0.22 -1.03 0.00 0.00 178.44 177.55 2jc1 h LYS 124 N 0.22 1.09 -0.74 2.65 3.64 -1.18 -2.19 116.57 120.07 2jc1 h LYS 124 Ca 0.14 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 2jc1 h LYS 124 Cb 0.13 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2jc1 h LYS 124 CO -0.16 0.91 0.30 0.22 -2.27 0.00 0.00 179.45 178.45 2jc1 h ASP 125 N 1.04 1.01 -1.00 4.20 3.58 -1.03 -1.22 116.42 123.01 2jc1 h ASP 125 Ca 0.24 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.60 2jc1 h ASP 125 Cb 0.24 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 40.97 2jc1 h ASP 125 CO -0.02 0.90 0.65 -0.07 -2.88 0.00 0.00 179.24 177.82 2jc1 h LEU 126 N 1.08 1.04 -0.78 2.28 3.38 -0.58 -0.66 115.31 121.06 2jc1 h LEU 126 Ca 0.25 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 2jc1 h LEU 126 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jc1 h LEU 126 CO -0.02 0.67 -0.35 -0.07 0.09 0.00 0.00 178.44 178.76 2jc1 h LEU 127 N 1.18 0.53 0.00 1.67 3.38 -0.82 -3.30 115.31 117.95 2jc1 h LEU 127 Ca 0.42 -0.22 -0.20 0.00 0.09 0.00 0.00 57.88 57.98 2jc1 h LEU 127 Cb 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2jc1 h LEU 127 CO -0.16 0.84 -1.30 -0.33 0.09 0.00 0.00 178.44 177.58 2jc1 h GLU 128 N 0.43 0.00 -3.88 1.13 4.39 -0.89 -3.45 114.58 112.31 2jc1 h GLU 128 Ca 0.05 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.20 2jc1 h GLU 128 Cb 0.82 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.08 2jc1 h GLU 128 CO 0.07 0.50 -0.78 0.34 -1.16 0.00 0.00 179.01 177.98 2jc1 s ASP 129 N -6.13 3.05 -0.29 1.42 -1.08 -0.29 -5.00 116.67 108.37 2jc1 s ASP 129 Ca -0.02 -0.84 0.11 0.00 -0.52 0.00 0.00 52.55 51.28 2jc1 s ASP 129 Cb 0.08 -0.80 0.61 0.00 -1.46 0.00 0.00 42.92 41.35 2jc1 s ASP 129 CO 0.81 -0.26 1.61 0.35 0.52 0.00 0.00 175.17 178.20 2jc1 n THR 130 N 4.93 2.67 0.00 1.71 -2.24 -1.26 -4.57 114.28 115.51 2jc1 n THR 130 Ca -0.10 -2.09 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 2jc1 n THR 130 Cb 0.47 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2jc1 n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2jc1 n VAL 131 N -0.67 0.00 -2.48 2.28 0.31 -1.26 -4.66 118.33 111.85 2jc1 n VAL 131 Ca 0.35 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.26 2jc1 n VAL 131 Cb 1.18 -0.82 -0.02 0.00 -0.91 0.00 0.00 33.84 33.26 2jc1 n VAL 131 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2jc1 s THR 132 N -1.87 4.36 0.41 2.52 2.01 -1.26 -4.71 115.64 117.10 2jc1 s THR 132 Ca 0.00 1.66 -0.25 0.00 0.31 0.00 0.00 61.69 63.40 2jc1 s THR 132 Cb 0.00 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 2jc1 s THR 132 CO 0.00 -0.10 1.22 -2.65 -0.69 0.00 0.00 174.62 172.40 2jc1 n PRO 133 N 6.09 1.83 -3.66 4.92 -0.02 -1.26 -4.73 135.00 138.16 2jc1 n PRO 133 Ca 0.13 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.89 2jc1 n PRO 133 Cb 0.46 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 2jc1 n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jc1 s ILE 134 N -1.20 5.22 0.60 4.25 1.01 0.31 -4.95 121.20 126.45 2jc1 s ILE 134 Ca 0.61 0.50 -0.18 0.00 0.00 0.00 0.00 60.65 61.58 2jc1 s ILE 134 Cb -0.53 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2jc1 s ILE 134 CO 0.58 0.53 1.18 -0.62 0.00 0.00 0.00 174.94 176.61 2jc1 s ASP 135 N -1.23 5.25 0.06 3.58 2.15 -1.26 -4.39 116.67 120.83 2jc1 s ASP 135 Ca 0.23 2.30 0.03 0.00 0.43 0.00 0.00 52.55 55.53 2jc1 s ASP 135 Cb -0.14 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.86 2jc1 s ASP 135 CO 0.11 -1.55 -0.10 0.42 -0.17 0.00 0.00 175.17 173.89 2jc1 s THR 136 N -1.73 0.76 -0.04 1.71 -4.23 -1.08 -4.45 115.64 106.58 2jc1 s THR 136 Ca 0.75 -1.28 -0.14 0.00 -1.18 0.00 0.00 61.69 59.84 2jc1 s THR 136 Cb -0.28 -0.92 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 2jc1 s THR 136 CO 0.33 -0.40 0.38 -0.89 -0.54 0.00 0.00 174.62 173.50 2jc1 s THR 137 N -1.66 5.13 -0.14 3.99 2.01 -0.11 -0.20 115.64 124.66 2jc1 s THR 137 Ca -0.04 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 2jc1 s THR 137 Cb -0.08 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2jc1 s THR 137 CO 0.01 0.53 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.84 2jc1 s ILE 138 N -0.68 3.15 0.09 1.82 2.07 -0.63 -1.76 121.20 125.26 2jc1 s ILE 138 Ca 0.22 -0.62 0.06 0.00 -1.41 0.00 0.00 60.65 58.90 2jc1 s ILE 138 Cb -0.16 -2.34 -0.03 0.00 0.13 0.00 0.00 42.46 40.06 2jc1 s ILE 138 CO 0.11 0.51 -0.15 -0.04 -1.91 0.00 0.00 174.94 173.46 2jc1 s MET 139 N 0.47 0.91 -0.12 3.50 -1.94 -0.26 -4.41 119.30 117.46 2jc1 s MET 139 Ca -0.08 -1.07 -0.23 0.00 -1.71 0.00 0.00 55.69 52.60 2jc1 s MET 139 Cb -0.16 -0.90 -0.03 0.00 2.01 0.00 0.00 34.83 35.76 2jc1 s MET 139 CO 0.04 0.19 0.70 0.00 -0.01 0.00 0.00 175.02 175.94 2jc1 s ALA 140 N -1.58 3.42 0.40 3.03 0.00 -1.26 -0.79 121.76 124.98 2jc1 s ALA 140 Ca 0.02 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.75 2jc1 s ALA 140 Cb -0.08 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 2jc1 s ALA 140 CO 0.03 -0.30 1.13 0.15 0.00 0.00 0.00 175.76 176.76 2jc1 s LYS 141 N 1.30 4.09 -0.53 0.00 1.02 0.72 -4.69 119.74 121.65 2jc1 s LYS 141 Ca 0.35 1.72 -0.14 0.00 0.02 0.00 0.00 55.97 57.92 2jc1 s LYS 141 Cb -0.17 -2.63 0.13 0.00 -0.52 0.00 0.00 37.83 34.64 2jc1 s LYS 141 CO 0.15 -0.26 0.46 -0.80 -0.92 0.00 0.00 175.35 173.98 2jc1 s ASN 142 N -1.29 6.07 0.12 2.83 0.02 -1.26 -4.37 114.94 117.07 2jc1 s ASN 142 Ca 0.57 -1.83 0.09 0.00 -1.02 0.00 0.00 52.86 50.67 2jc1 s ASN 142 Cb -0.28 -2.16 -0.04 0.00 0.02 0.00 0.00 41.25 38.80 2jc1 s ASN 142 CO 0.35 -0.82 -0.23 -1.61 0.02 0.00 0.00 177.10 174.81 2jc1 s GLU 143 N 1.52 1.25 -0.15 -0.60 2.02 -1.26 -4.88 118.70 116.60 2jc1 s GLU 143 Ca 0.04 -1.26 -0.08 0.00 0.02 0.00 0.00 54.97 53.69 2jc1 s GLU 143 Cb -0.29 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 2jc1 s GLU 143 CO 0.02 0.37 0.14 0.08 0.02 0.00 0.00 175.26 175.89 2jc1 s VAL 144 N -1.19 5.47 0.22 2.63 1.01 -1.26 -1.49 120.40 125.79 2jc1 s VAL 144 Ca 0.10 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 2jc1 s VAL 144 Cb -0.10 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2jc1 s VAL 144 CO 0.05 0.56 0.22 -0.36 0.00 0.00 0.00 175.10 175.57 2jc1 s PHE 145 N -0.58 1.00 -0.07 5.22 0.08 -0.07 -4.74 117.98 118.83 2jc1 s PHE 145 Ca 0.13 -1.24 -0.05 0.00 0.12 0.00 0.00 56.93 55.88 2jc1 s PHE 145 Cb -0.12 -0.39 -0.04 0.00 -0.57 0.00 0.00 43.02 41.90 2jc1 s PHE 145 CO 0.02 -0.73 0.17 0.00 -0.10 0.00 0.00 175.22 174.58 2jc1 n VAL 147 N 1.52 3.09 -2.60 0.00 0.24 0.11 -4.98 118.33 115.70 2jc1 n VAL 147 Ca -0.16 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.55 2jc1 n VAL 147 Cb 0.54 -1.36 0.04 0.00 -1.47 0.00 0.00 33.84 31.59 2jc1 n VAL 147 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2jc1 n GLN 148 N -0.43 -1.40 -3.78 7.34 -0.06 -1.26 -5.07 117.38 112.72 2jc1 n GLN 148 Ca 0.10 0.58 -0.37 0.00 -2.00 0.00 0.00 57.00 55.31 2jc1 n GLN 148 Cb 0.43 -4.25 -0.06 0.00 -4.06 0.00 0.00 30.24 22.30 2jc1 n GLN 148 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2jc1 s ARG 154 N -3.84 3.56 0.22 3.69 0.52 -1.26 -5.20 118.95 116.64 2jc1 s ARG 154 Ca 0.28 0.01 -0.16 0.00 -0.52 0.00 0.00 55.73 55.33 2jc1 s ARG 154 Cb -0.04 -3.20 -0.08 0.00 0.52 0.00 0.00 34.95 32.16 2jc1 s ARG 154 CO 0.47 0.76 0.66 -1.59 0.02 0.00 0.00 175.30 175.62 2jc1 s LYS 155 N -1.05 4.09 0.76 3.54 -2.85 -1.26 -5.07 119.74 117.89 2jc1 s LYS 155 Ca 0.17 0.68 -0.11 0.00 -1.00 0.00 0.00 55.97 55.71 2jc1 s LYS 155 Cb -0.13 -2.78 0.05 0.00 -2.06 0.00 0.00 37.83 32.90 2jc1 s LYS 155 CO 0.07 0.36 1.10 -2.14 0.10 0.00 0.00 175.35 174.83 2jc1 s PRO 156 N -2.24 2.32 0.40 1.78 0.02 -1.26 -4.84 135.00 131.17 2jc1 s PRO 156 Ca 0.44 1.21 -0.27 0.00 0.02 0.00 0.00 61.00 62.40 2jc1 s PRO 156 Cb -0.14 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 2jc1 s PRO 156 CO 0.20 -1.60 1.45 0.00 -0.33 0.00 0.00 177.00 176.71 2jc1 n ALA 157 N -3.36 2.14 -1.72 -1.55 0.00 -1.26 -4.97 120.51 109.79 2jc1 n ALA 157 Ca 0.09 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 2jc1 n ALA 157 Cb 0.53 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 2jc1 n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jc1 s ARG 158 N -2.20 3.52 -0.05 0.00 0.52 -1.26 -4.69 118.95 114.79 2jc1 s ARG 158 Ca 0.56 1.17 -0.00 0.00 -0.52 0.00 0.00 55.73 56.94 2jc1 s ARG 158 Cb -0.48 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 2jc1 s ARG 158 CO 0.62 -0.64 -0.00 -0.51 0.02 0.00 0.00 175.30 174.78 2jc1 s LEU 159 N -4.27 3.53 -0.03 2.53 1.43 -1.26 -0.20 118.68 120.41 2jc1 s LEU 159 Ca 0.63 0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.87 2jc1 s LEU 159 Cb -0.15 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2jc1 s LEU 159 CO 0.33 0.34 -0.24 -0.51 0.23 0.00 0.00 176.35 176.50 2jc1 s ILE 160 N -0.97 2.21 -0.10 -0.59 1.10 0.03 -4.89 121.20 117.99 2jc1 s ILE 160 Ca 0.16 -1.04 0.01 0.00 -0.51 0.00 0.00 60.65 59.27 2jc1 s ILE 160 Cb -0.11 -1.79 0.02 0.00 0.15 0.00 0.00 42.46 40.73 2jc1 s ILE 160 CO 0.06 0.58 -0.10 -0.69 -2.11 0.00 0.00 174.94 172.67 2jc1 s VAL 161 N -0.51 1.17 -0.07 4.00 1.01 -1.26 -1.11 120.40 123.63 2jc1 s VAL 161 Ca 0.07 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 2jc1 s VAL 161 Cb -0.11 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.17 2jc1 s VAL 161 CO 0.00 0.38 0.34 0.72 0.00 0.00 0.00 175.10 176.54 2jc1 s PHE 162 N 1.31 -0.29 0.80 5.22 -0.71 -0.72 -0.34 117.98 123.24 2jc1 s PHE 162 Ca -0.02 0.61 -0.07 0.00 -1.04 0.00 0.00 56.93 56.41 2jc1 s PHE 162 Cb -0.14 0.12 0.14 0.00 -1.21 0.00 0.00 43.02 41.93 2jc1 s PHE 162 CO -0.04 -0.30 1.10 -1.25 -1.34 0.00 0.00 175.22 173.39 2jc1 s PRO 163 N -0.60 1.42 0.63 1.99 0.04 -1.26 -0.93 135.00 136.29 2jc1 s PRO 163 Ca -0.07 -0.74 -0.18 0.00 0.04 0.00 0.00 61.00 60.05 2jc1 s PRO 163 Cb -0.04 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2jc1 s PRO 163 CO 0.03 -1.73 1.24 0.34 0.04 0.00 0.00 177.00 176.92 2jc1 s ASP 164 N -4.75 4.83 0.31 6.66 2.15 -1.26 -4.71 116.67 119.90 2jc1 s ASP 164 Ca 0.68 2.47 0.06 0.00 0.43 0.00 0.00 52.55 56.19 2jc1 s ASP 164 Cb -0.06 -2.60 0.87 0.00 -0.30 0.00 0.00 42.92 40.83 2jc1 s ASP 164 CO 0.47 -1.85 1.60 0.25 -0.17 0.00 0.00 175.17 175.48 2jc1 h LEU 165 N 0.59 -0.10 -0.60 -1.34 5.85 -1.82 -1.24 115.31 116.65 2jc1 h LEU 165 Ca -0.50 0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.48 2jc1 h LEU 165 Cb 1.31 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 42.65 2jc1 h LEU 165 CO 0.54 -0.29 0.38 1.23 -0.34 0.00 0.00 178.44 179.96 2jc1 h GLY 166 N 0.09 0.85 0.94 3.75 0.00 -1.95 -1.41 103.07 105.36 2jc1 h GLY 166 Ca 0.64 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 2jc1 h GLY 166 CO -0.78 0.27 0.13 -2.08 0.00 0.00 0.00 176.54 174.08 2jc1 h VAL 167 N 0.76 1.13 -0.87 4.60 2.07 -1.62 -2.66 116.25 119.67 2jc1 h VAL 167 Ca 0.23 -0.36 0.16 0.00 0.82 0.00 0.00 66.70 67.55 2jc1 h VAL 167 Cb -0.03 0.90 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 2jc1 h VAL 167 CO -0.08 0.13 0.44 0.03 0.02 0.00 0.00 177.57 178.11 2jc1 h ARG 168 N 0.29 0.58 -0.45 1.57 3.08 -0.67 0.23 114.38 119.01 2jc1 h ARG 168 Ca 0.09 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 2jc1 h ARG 168 Cb 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2jc1 h ARG 168 CO -0.01 0.38 0.05 0.28 -1.07 0.00 0.00 179.97 179.60 2jc1 h VAL 169 N 0.60 1.25 -0.88 2.04 2.07 -1.19 -2.61 116.25 117.53 2jc1 h VAL 169 Ca 0.49 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2jc1 h VAL 169 Cb 0.73 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 2jc1 h VAL 169 CO -0.39 0.33 0.58 0.00 0.02 0.00 0.00 177.57 178.10 2jc1 h GLU 171 N 1.14 0.32 -0.56 0.00 5.08 -0.43 -1.63 114.58 118.51 2jc1 h GLU 171 Ca 0.34 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2jc1 h GLU 171 Cb -0.06 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2jc1 h GLU 171 CO -0.10 0.21 0.25 0.87 -1.00 0.00 0.00 179.01 179.25 2jc1 h LYS 172 N 0.33 0.82 -0.33 2.33 1.57 -0.96 0.44 116.57 120.77 2jc1 h LYS 172 Ca 0.30 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2jc1 h LYS 172 Cb 0.40 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2jc1 h LYS 172 CO -0.34 0.69 0.07 0.52 -0.57 0.00 0.00 179.45 179.82 2jc1 h MET 173 N 0.76 0.18 -0.04 3.15 2.86 -0.83 -0.96 114.93 120.05 2jc1 h MET 173 Ca 0.19 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.62 2jc1 h MET 173 Cb 0.15 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2jc1 h MET 173 CO -0.02 0.12 -0.82 0.00 1.06 0.00 0.00 176.91 177.26 2jc1 h ALA 174 N 1.24 0.51 0.00 6.32 0.00 -1.06 -1.09 119.26 125.17 2jc1 h ALA 174 Ca 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jc1 h ALA 174 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jc1 h ALA 174 CO -0.19 0.80 0.00 1.28 0.00 0.00 0.00 179.25 181.13 2jc1 n LEU 175 N -3.79 0.09 -0.13 0.00 4.77 0.12 -4.75 117.00 113.31 2jc1 n LEU 175 Ca -0.05 -0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 55.62 2jc1 n LEU 175 Cb 0.76 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.89 2jc1 n LEU 175 CO 0.49 0.02 0.92 0.22 -1.33 0.00 0.00 177.39 177.72 2jc1 h TYR 176 N 0.00 0.19 -0.57 -1.77 3.20 -1.27 0.11 116.97 116.86 2jc1 h TYR 176 Ca 0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2jc1 h TYR 176 Cb 0.05 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2jc1 h TYR 176 CO 0.00 0.05 0.15 0.22 -1.64 0.00 0.00 178.16 176.94 2jc1 h ASP 177 N 0.26 0.85 0.77 -2.11 3.58 -1.79 -1.28 116.42 116.70 2jc1 h ASP 177 Ca 0.20 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2jc1 h ASP 177 Cb 0.22 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2jc1 h ASP 177 CO -0.24 0.85 -0.42 0.58 -2.88 0.00 0.00 179.24 177.14 2jc1 h VAL 178 N 0.81 0.15 0.00 2.25 2.07 -1.76 -2.05 116.25 117.72 2jc1 h VAL 178 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2jc1 h VAL 178 Cb 0.33 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2jc1 h VAL 178 CO -0.00 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.22 2jc1 h VAL 179 N -1.10 0.00 0.00 2.57 -1.51 -0.90 0.14 116.25 115.45 2jc1 h VAL 179 Ca -0.10 -0.16 -0.21 0.00 -1.23 0.00 0.00 66.70 64.99 2jc1 h VAL 179 Cb 0.86 1.04 -0.03 0.00 -2.13 0.00 0.00 31.29 31.03 2jc1 h VAL 179 CO 0.14 0.00 -1.07 0.28 -1.23 0.00 0.00 177.57 175.69 2jc1 h SER 180 N 0.00 0.00 0.00 4.19 0.02 -0.96 -3.42 113.55 113.38 2jc1 h SER 180 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2jc1 h SER 180 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2jc1 h SER 180 CO 0.00 0.95 -1.20 0.35 -1.14 0.00 0.00 176.83 175.79 2jc1 n THR 181 N -3.29 0.20 -0.07 -2.27 -2.24 -0.69 -4.70 114.28 101.22 2jc1 n THR 181 Ca -0.02 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 2jc1 n THR 181 Cb 0.94 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 2jc1 n THR 181 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jc1 h LEU 182 N 0.00 0.24 -0.94 3.22 6.46 -0.98 -3.23 115.31 120.08 2jc1 h LEU 182 Ca -0.08 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2jc1 h LEU 182 Cb 1.15 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.99 2jc1 h LEU 182 CO -0.01 0.18 0.60 -0.65 -0.62 0.00 0.00 178.44 177.95 2jc1 h PRO 183 N 0.31 1.25 -0.39 5.25 0.11 -1.81 -0.57 132.00 136.15 2jc1 h PRO 183 Ca 0.11 -0.09 -0.09 0.00 0.11 0.00 0.00 66.00 66.04 2jc1 h PRO 183 Cb 0.01 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 30.83 2jc1 h PRO 183 CO -0.06 0.84 -0.15 0.37 -0.21 0.00 0.00 178.00 178.80 2jc1 h GLN 184 N 1.28 0.71 -0.35 1.05 -0.00 -1.87 0.10 115.11 116.02 2jc1 h GLN 184 Ca 0.34 -0.24 -0.02 0.00 -0.00 0.00 0.00 58.65 58.73 2jc1 h GLN 184 Cb -0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.29 2jc1 h GLN 184 CO -0.07 0.82 0.15 0.28 0.00 0.00 0.00 178.83 180.01 2jc1 h VAL 185 N 0.64 1.18 -0.14 2.39 2.07 -1.44 0.27 116.25 121.22 2jc1 h VAL 185 Ca 0.10 -0.55 -0.22 0.00 0.82 0.00 0.00 66.70 66.85 2jc1 h VAL 185 Cb 0.61 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2jc1 h VAL 185 CO 0.04 0.20 -0.77 0.58 0.02 0.00 0.00 177.57 177.64 2jc1 h VAL 186 N 0.42 1.28 0.00 2.57 2.07 -0.83 -3.36 116.25 118.41 2jc1 h VAL 186 Ca 0.12 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.67 2jc1 h VAL 186 Cb 0.17 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2jc1 h VAL 186 CO -0.01 0.62 -0.75 0.23 0.02 0.00 0.00 177.57 177.69 2jc1 n MET 187 N -3.96 2.24 0.00 1.57 2.81 0.33 -4.91 117.12 115.20 2jc1 n MET 187 Ca -0.08 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2jc1 n MET 187 Cb 0.74 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 2jc1 n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jc1 n GLY 188 N 1.36 2.99 0.32 3.03 0.00 0.95 -2.08 105.19 111.76 2jc1 n GLY 188 Ca 0.02 -0.17 0.21 0.00 0.00 0.00 0.00 46.02 46.07 2jc1 n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jc1 h SER 189 N 2.78 0.00 0.76 1.61 4.64 -1.95 -1.94 113.55 119.44 2jc1 h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jc1 h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jc1 h SER 189 CO 0.00 0.01 0.00 -1.20 -0.87 0.00 0.00 176.83 174.77 2jc1 n SER 190 N -3.16 0.64 -4.60 4.97 7.64 -0.88 -4.70 113.62 113.53 2jc1 n SER 190 Ca -0.02 0.65 -0.43 0.00 1.01 0.00 0.00 58.87 60.08 2jc1 n SER 190 Cb 0.14 -0.79 -0.02 0.00 -1.01 0.00 0.00 64.21 62.52 2jc1 n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2jc1 s TYR 191 N -3.29 2.49 0.27 1.43 5.04 -0.73 -0.84 117.35 121.72 2jc1 s TYR 191 Ca 0.05 0.69 0.24 0.00 -2.44 0.00 0.00 57.07 55.60 2jc1 s TYR 191 Cb 0.09 -4.32 1.08 0.00 0.35 0.00 0.00 41.96 39.17 2jc1 s TYR 191 CO 0.40 -1.83 1.91 0.78 -1.34 0.00 0.00 175.55 175.47 2jc1 h GLY 192 N 11.95 0.00 1.66 8.97 0.00 -0.70 -3.20 103.07 121.75 2jc1 h GLY 192 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2jc1 h GLY 192 CO 1.09 0.00 -0.07 0.69 0.00 0.00 0.00 176.54 178.25 2jc1 n PHE 193 N -3.57 0.00 0.81 5.60 3.72 -1.26 -3.04 117.46 119.73 2jc1 n PHE 193 Ca -0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.50 2jc1 n PHE 193 Cb 0.36 -0.39 0.50 0.00 -0.94 0.00 0.00 39.48 39.02 2jc1 n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jc1 n GLN 194 N -1.39 0.02 -4.28 -1.08 10.64 -1.21 -3.13 117.38 116.95 2jc1 n GLN 194 Ca 0.09 0.10 -0.34 0.00 -1.83 0.00 0.00 57.00 55.02 2jc1 n GLN 194 Cb 0.31 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.09 2jc1 n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2jc1 s TYR 195 N -2.98 3.15 0.97 2.61 2.02 -1.17 -4.66 117.35 117.29 2jc1 s TYR 195 Ca 0.12 0.01 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 2jc1 s TYR 195 Cb 0.15 -1.92 0.17 0.00 -0.40 0.00 0.00 41.96 39.96 2jc1 s TYR 195 CO 0.42 0.23 1.09 -1.54 -1.57 0.00 0.00 175.55 174.17 2jc1 s SER 196 N -0.16 2.81 0.26 2.29 1.04 -1.26 -4.74 113.70 113.94 2jc1 s SER 196 Ca 0.05 1.48 -0.04 0.00 0.48 0.00 0.00 55.95 57.92 2jc1 s SER 196 Cb -0.13 -2.16 0.36 0.00 0.10 0.00 0.00 66.02 64.20 2jc1 s SER 196 CO 0.02 -3.05 1.89 -0.65 0.98 0.00 0.00 173.24 172.42 2jc1 h PRO 197 N -1.84 1.16 -0.52 4.02 0.11 -1.91 0.00 132.00 133.03 2jc1 h PRO 197 Ca -0.52 -0.07 0.07 0.00 0.11 0.00 0.00 66.00 65.59 2jc1 h PRO 197 Cb 1.30 -0.26 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 2jc1 h PRO 197 CO 0.53 0.76 0.19 0.78 -0.21 0.00 0.00 178.00 180.06 2jc1 h GLY 198 N 1.19 0.70 1.74 -0.55 0.00 -1.71 -1.50 103.07 102.93 2jc1 h GLY 198 Ca 0.41 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.52 2jc1 h GLY 198 CO -0.15 0.02 -0.40 1.46 0.00 0.00 0.00 176.54 177.47 2jc1 h GLN 199 N 0.38 0.29 -0.14 4.80 4.20 -1.62 -2.38 115.11 120.65 2jc1 h GLN 199 Ca 0.25 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 2jc1 h GLN 199 Cb 0.26 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2jc1 h GLN 199 CO -0.24 0.65 -0.34 -0.09 -0.67 0.00 0.00 178.83 178.14 2jc1 h ARG 200 N 0.25 0.47 -0.62 1.46 2.43 -0.63 -0.02 114.38 117.71 2jc1 h ARG 200 Ca 0.02 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 58.79 2jc1 h ARG 200 Cb 0.81 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2jc1 h ARG 200 CO 0.06 0.94 0.05 -0.24 -1.51 0.00 0.00 179.97 179.27 2jc1 h VAL 201 N 0.08 1.26 -0.73 0.20 3.04 -1.30 -0.28 116.25 118.51 2jc1 h VAL 201 Ca -0.00 -1.09 -0.02 0.00 -1.01 0.00 0.00 66.70 64.58 2jc1 h VAL 201 Cb 0.94 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 30.92 2jc1 h VAL 201 CO 0.07 0.40 0.38 -0.08 -1.01 0.00 0.00 177.57 177.33 2jc1 h GLU 202 N 0.97 1.04 -0.48 4.17 4.81 -1.37 -0.72 114.58 123.00 2jc1 h GLU 202 Ca 0.18 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2jc1 h GLU 202 Cb 0.50 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2jc1 h GLU 202 CO 0.02 0.80 -0.04 0.35 -0.73 0.00 0.00 179.01 179.40 2jc1 h PHE 203 N 1.02 0.96 0.28 0.92 3.57 -0.58 0.37 116.94 123.48 2jc1 h PHE 203 Ca 0.26 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2jc1 h PHE 203 Cb 0.08 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.58 2jc1 h PHE 203 CO 0.00 0.92 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.80 2jc1 h LEU 204 N 0.72 -0.32 -0.36 0.59 3.38 -0.78 0.17 115.31 118.71 2jc1 h LEU 204 Ca 0.13 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2jc1 h LEU 204 Cb 0.57 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2jc1 h LEU 204 CO 0.03 -0.15 0.17 0.58 0.09 0.00 0.00 178.44 179.16 2jc1 h VAL 205 N -0.47 0.96 -0.59 1.22 2.07 -1.15 0.14 116.25 118.42 2jc1 h VAL 205 Ca -0.04 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 2jc1 h VAL 205 Cb 0.35 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2jc1 h VAL 205 CO 0.06 0.06 0.12 0.78 0.02 0.00 0.00 177.57 178.62 2jc1 h ASN 206 N 0.34 0.87 -0.38 0.57 2.35 -0.78 -0.81 115.58 117.75 2jc1 h ASN 206 Ca 0.16 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2jc1 h ASN 206 Cb 0.09 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2jc1 h ASN 206 CO -0.12 0.86 0.19 0.74 -1.65 0.00 0.00 177.43 177.44 2jc1 h THR 207 N 0.88 1.16 -0.76 2.81 2.02 -0.34 -0.82 112.91 117.86 2jc1 h THR 207 Ca 0.19 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2jc1 h THR 207 Cb 0.35 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2jc1 h THR 207 CO 0.00 0.17 0.34 -0.25 0.37 0.00 0.00 175.52 176.16 2jc1 h TRP 208 N 0.48 1.13 0.00 3.16 2.91 -0.61 -2.66 115.95 120.35 2jc1 h TRP 208 Ca 0.13 -0.07 -0.02 0.00 1.13 0.00 0.00 58.89 60.06 2jc1 h TRP 208 Cb 0.10 -0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 28.41 2jc1 h TRP 208 CO -0.02 0.84 -0.10 0.87 -1.03 0.00 0.00 178.44 179.01 2jc1 h LYS 209 N 1.09 0.00 0.00 2.65 1.57 -1.04 -3.12 116.57 117.72 2jc1 h LYS 209 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2jc1 h LYS 209 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jc1 h LYS 209 CO -0.03 0.10 0.00 -1.13 -0.57 0.00 0.00 179.45 177.82 2jc1 n SER 210 N -3.17 0.39 -4.82 0.86 3.41 -0.32 -4.75 113.62 105.23 2jc1 n SER 210 Ca 0.02 0.59 -0.38 0.00 -0.26 0.00 0.00 58.87 58.84 2jc1 n SER 210 Cb 0.46 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 2jc1 n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jc1 s LYS 211 N -3.16 3.94 0.10 4.33 -0.14 -1.18 -5.01 119.74 118.61 2jc1 s LYS 211 Ca 0.06 0.31 -0.31 0.00 -1.36 0.00 0.00 55.97 54.67 2jc1 s LYS 211 Cb 0.10 -3.26 -0.13 0.00 -1.68 0.00 0.00 37.83 32.86 2jc1 s LYS 211 CO 0.37 0.60 1.62 0.87 -0.76 0.00 0.00 175.35 178.05 2jc1 h LYS 212 N 5.17 -0.67 -3.68 1.68 1.57 -1.89 -3.35 116.57 115.39 2jc1 h LYS 212 Ca -0.50 0.05 -0.61 0.00 -1.87 0.00 0.00 60.65 57.71 2jc1 h LYS 212 Cb 1.21 0.15 -0.40 0.00 0.08 0.00 0.00 32.23 33.27 2jc1 h LYS 212 CO 0.64 -0.45 -0.73 -0.80 -0.57 0.00 0.00 179.45 177.54 2jc1 s ASN 213 N -4.62 4.14 0.42 0.86 0.01 -1.26 -5.08 114.94 109.41 2jc1 s ASN 213 Ca -0.17 -2.13 -0.25 0.00 -0.71 0.00 0.00 52.86 49.60 2jc1 s ASN 213 Cb 0.06 -1.16 -0.08 0.00 0.41 0.00 0.00 41.25 40.48 2jc1 s ASN 213 CO 0.63 -0.35 1.30 -2.16 -1.51 0.00 0.00 177.10 175.01 2jc1 s PRO 214 N 0.97 3.90 0.02 -0.60 0.04 -1.26 -0.07 135.00 138.00 2jc1 s PRO 214 Ca 0.13 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.33 2jc1 s PRO 214 Cb -0.20 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2jc1 s PRO 214 CO -0.12 -0.55 -0.08 1.41 0.04 0.00 0.00 177.00 177.70 2jc1 s MET 215 N -2.32 0.55 0.15 4.56 1.75 -0.44 -4.66 119.30 118.91 2jc1 s MET 215 Ca 0.58 -0.46 -0.14 0.00 -1.25 0.00 0.00 55.69 54.42 2jc1 s MET 215 Cb -0.38 -0.46 0.02 0.00 2.84 0.00 0.00 34.83 36.85 2jc1 s MET 215 CO 0.48 0.11 0.39 0.20 -0.65 0.00 0.00 175.02 175.55 2jc1 s GLY 216 N -0.75 0.01 -0.05 2.11 0.00 -0.77 -0.15 107.32 107.72 2jc1 s GLY 216 Ca -0.02 -0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.02 2jc1 s GLY 216 CO 0.00 -0.48 0.66 -0.11 0.00 0.00 0.00 173.10 173.18 2jc1 s PHE 217 N -3.87 -0.64 0.15 1.90 -0.71 -0.29 -0.41 117.98 114.11 2jc1 s PHE 217 Ca 0.09 1.11 -0.09 0.00 -1.04 0.00 0.00 56.93 56.99 2jc1 s PHE 217 Cb 0.02 0.39 -0.06 0.00 -1.21 0.00 0.00 43.02 42.15 2jc1 s PHE 217 CO -0.06 -0.59 0.46 -1.54 -1.34 0.00 0.00 175.22 172.15 2jc1 s SER 218 N -1.15 6.63 -0.20 1.98 1.04 -1.26 -0.95 113.70 119.79 2jc1 s SER 218 Ca -0.11 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.16 2jc1 s SER 218 Cb -0.00 -2.19 0.03 0.00 0.10 0.00 0.00 66.02 63.96 2jc1 s SER 218 CO 0.09 0.06 -0.17 -0.47 0.98 0.00 0.00 173.24 173.73 2jc1 s TYR 219 N -1.60 2.90 -0.38 5.02 5.04 -0.46 -4.52 117.35 123.35 2jc1 s TYR 219 Ca 0.40 -1.76 -0.13 0.00 -2.44 0.00 0.00 57.07 53.14 2jc1 s TYR 219 Cb -0.13 -1.94 0.01 0.00 0.35 0.00 0.00 41.96 40.26 2jc1 s TYR 219 CO 0.21 -0.81 0.26 0.34 -1.34 0.00 0.00 175.55 174.20 2jc1 s ASP 220 N 1.26 5.98 -0.01 4.32 2.15 -1.26 -4.16 116.67 124.95 2jc1 s ASP 220 Ca 0.02 -0.79 -0.25 0.00 0.43 0.00 0.00 52.55 51.96 2jc1 s ASP 220 Cb -0.15 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.32 2jc1 s ASP 220 CO -0.11 -0.37 0.77 -0.89 -0.17 0.00 0.00 175.17 174.40 2jc1 s THR 221 N 1.66 4.90 -0.05 1.71 2.01 -1.26 -0.78 115.64 123.83 2jc1 s THR 221 Ca 0.05 1.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.36 2jc1 s THR 221 Cb -0.19 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 2jc1 s THR 221 CO 0.09 0.28 1.57 -0.60 -0.69 0.00 0.00 174.62 175.27 2jc1 s ARG 222 N 0.50 4.20 -1.09 4.92 3.52 -0.58 -4.00 118.95 126.43 2jc1 s ARG 222 Ca 0.40 2.10 -0.19 0.00 -0.13 0.00 0.00 55.73 57.92 2jc1 s ARG 222 Cb -0.19 -3.86 -0.00 0.00 -1.56 0.00 0.00 34.95 29.33 2jc1 s ARG 222 CO 0.22 -0.78 0.77 0.00 -0.81 0.00 0.00 175.30 174.69 2jc1 h PHE 224 N -1.64 0.36 -0.98 0.00 3.04 -1.97 -1.76 116.94 113.99 2jc1 h PHE 224 Ca -0.62 0.04 0.12 0.00 3.98 0.00 0.00 57.97 61.49 2jc1 h PHE 224 Cb 1.34 -0.05 -0.08 0.00 2.56 0.00 0.00 35.95 39.72 2jc1 h PHE 224 CO 0.32 -0.01 0.62 -0.44 -2.02 0.00 0.00 178.31 176.78 2jc1 h ASP 225 N 0.34 0.87 0.94 0.41 3.32 -1.91 0.18 116.42 120.57 2jc1 h ASP 225 Ca 0.39 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.43 2jc1 h ASP 225 Cb 0.62 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2jc1 h ASP 225 CO -0.44 0.46 -0.27 0.28 -1.72 0.00 0.00 179.24 177.55 2jc1 h SER 226 N 0.93 0.00 1.80 6.45 0.02 -1.63 -2.45 113.55 118.67 2jc1 h SER 226 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 2jc1 h SER 226 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2jc1 h SER 226 CO -0.25 0.27 0.00 0.71 -1.14 0.00 0.00 176.83 176.42 2jc1 h THR 227 N 0.00 0.00 -2.72 -2.27 1.35 -0.79 -3.44 112.91 105.04 2jc1 h THR 227 Ca -0.00 -0.85 -0.55 0.00 -0.55 0.00 0.00 66.41 64.46 2jc1 h THR 227 Cb 0.81 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 2jc1 h THR 227 CO 0.03 0.00 1.00 -0.69 -0.25 0.00 0.00 175.52 175.61 2jc1 s VAL 228 N -3.23 3.65 0.47 6.82 1.01 -1.08 -4.84 120.40 123.20 2jc1 s VAL 228 Ca 0.07 0.88 0.09 0.00 0.00 0.00 0.00 61.98 63.02 2jc1 s VAL 228 Cb 0.07 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2jc1 s VAL 228 CO 0.64 -0.05 0.64 0.42 0.00 0.00 0.00 175.10 176.74 2jc1 s THR 229 N 3.47 2.68 0.21 3.92 -4.23 -1.26 -3.96 115.64 116.46 2jc1 s THR 229 Ca 0.69 -1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 60.08 2jc1 s THR 229 Cb -0.32 -2.70 0.14 0.00 1.34 0.00 0.00 72.50 70.96 2jc1 s THR 229 CO 0.27 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.09 2jc1 h GLU 230 N 0.50 0.70 -0.47 3.99 4.81 -1.88 -2.23 114.58 120.00 2jc1 h GLU 230 Ca -0.37 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.92 2jc1 h GLU 230 Cb 1.28 -0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.41 2jc1 h GLU 230 CO 0.44 0.46 -0.13 -0.97 -0.73 0.00 0.00 179.01 178.08 2jc1 h ASN 231 N 0.72 -0.49 -0.78 1.04 -1.24 -1.97 -1.10 115.58 111.77 2jc1 h ASN 231 Ca 0.29 0.15 0.06 0.00 0.71 0.00 0.00 56.30 57.51 2jc1 h ASN 231 Cb 0.15 0.31 -0.06 0.00 0.73 0.00 0.00 38.32 39.45 2jc1 h ASN 231 CO -0.16 -0.17 0.47 0.44 -1.29 0.00 0.00 177.43 176.71 2jc1 h ASP 232 N -0.02 0.72 0.42 1.15 3.32 -1.80 0.27 116.42 120.48 2jc1 h ASP 232 Ca 0.23 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.10 2jc1 h ASP 232 Cb 0.37 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2jc1 h ASP 232 CO -0.50 0.46 -0.83 0.40 -1.72 0.00 0.00 179.24 177.06 2jc1 h ILE 233 N 0.85 1.43 -0.30 0.35 2.04 -1.01 0.16 117.51 121.03 2jc1 h ILE 233 Ca 0.34 -2.39 -0.19 0.00 1.00 0.00 0.00 64.86 63.63 2jc1 h ILE 233 Cb 0.17 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2jc1 h ILE 233 CO -0.17 0.71 -0.54 0.03 0.00 0.00 0.00 178.15 178.18 2jc1 h ARG 234 N 0.19 0.89 -0.49 2.37 3.08 -0.91 -2.04 114.38 117.46 2jc1 h ARG 234 Ca -0.04 -0.56 0.03 0.00 0.07 0.00 0.00 59.98 59.48 2jc1 h ARG 234 Cb 1.43 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.50 2jc1 h ARG 234 CO 0.13 1.20 0.28 0.28 -1.07 0.00 0.00 179.97 180.79 2jc1 h VAL 235 N 0.69 1.01 -0.44 2.04 2.07 -0.27 -0.45 116.25 120.91 2jc1 h VAL 235 Ca 0.02 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.43 2jc1 h VAL 235 Cb 1.15 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2jc1 h VAL 235 CO 0.12 0.10 0.06 -0.33 0.02 0.00 0.00 177.57 177.54 2jc1 h GLU 236 N 0.55 0.17 -0.84 1.57 5.08 -0.91 -1.64 114.58 118.56 2jc1 h GLU 236 Ca 0.21 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2jc1 h GLU 236 Cb 0.06 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2jc1 h GLU 236 CO -0.12 0.12 0.51 1.49 -1.00 0.00 0.00 179.01 180.01 2jc1 h GLU 237 N 0.18 1.14 -0.33 2.33 4.81 -0.96 -1.91 114.58 119.83 2jc1 h GLU 237 Ca 0.21 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2jc1 h GLU 237 Cb 0.29 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2jc1 h GLU 237 CO -0.31 0.80 0.12 0.66 -0.73 0.00 0.00 179.01 179.55 2jc1 h SER 238 N 1.15 0.43 0.14 1.04 4.64 -0.32 0.41 113.55 121.05 2jc1 h SER 238 Ca 0.30 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 2jc1 h SER 238 Cb -0.05 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2jc1 h SER 238 CO -0.06 0.41 -0.07 0.40 -0.87 0.00 0.00 176.83 176.64 2jc1 h ILE 239 N 0.47 0.93 -0.94 0.95 2.04 -0.71 -2.65 117.51 117.61 2jc1 h ILE 239 Ca 0.12 -0.31 0.10 0.00 1.00 0.00 0.00 64.86 65.76 2jc1 h ILE 239 Cb 0.13 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 2jc1 h ILE 239 CO -0.01 0.07 0.58 1.88 0.00 0.00 0.00 178.15 180.67 2jc1 h TYR 240 N -0.34 1.06 0.00 1.37 0.05 -0.77 -1.67 116.97 116.67 2jc1 h TYR 240 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2jc1 h TYR 240 Cb 0.27 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.67 2jc1 h TYR 240 CO -0.02 0.46 0.00 1.04 -1.05 0.00 0.00 178.16 178.59 2jc1 n GLN 241 N -4.63 0.19 0.23 4.88 1.13 0.08 -2.05 117.38 117.21 2jc1 n GLN 241 Ca 0.16 0.38 0.09 0.00 -1.94 0.00 0.00 57.00 55.68 2jc1 n GLN 241 Cb 0.28 -1.83 0.56 0.00 0.11 0.00 0.00 30.24 29.36 2jc1 n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jc1 s ASP 244 N -1.80 5.98 0.14 0.00 -1.08 0.11 -4.96 116.67 115.07 2jc1 s ASP 244 Ca 0.77 0.67 0.06 0.00 -0.52 0.00 0.00 52.55 53.53 2jc1 s ASP 244 Cb -0.32 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.56 2jc1 s ASP 244 CO 0.44 -1.75 -0.14 -0.76 0.52 0.00 0.00 175.17 173.48 2jc1 s LEU 245 N 6.59 2.44 0.34 -1.34 1.43 -1.26 -1.65 118.68 125.22 2jc1 s LEU 245 Ca 0.63 -0.86 -0.28 0.00 -1.03 0.00 0.00 54.13 52.59 2jc1 s LEU 245 Cb -0.14 -0.59 -0.10 0.00 0.03 0.00 0.00 46.19 45.39 2jc1 s LEU 245 CO 0.28 -0.15 1.27 0.00 0.23 0.00 0.00 176.35 177.99 2jc1 s ALA 246 N -2.32 3.44 0.33 4.21 0.00 -1.26 -4.88 121.76 121.28 2jc1 s ALA 246 Ca 0.12 1.19 0.11 0.00 0.00 0.00 0.00 51.96 53.38 2jc1 s ALA 246 Cb -0.04 -3.45 0.93 0.00 0.00 0.00 0.00 23.12 20.55 2jc1 s ALA 246 CO 0.04 -0.59 1.73 -1.35 0.00 0.00 0.00 175.76 175.59 2jc1 h PRO 247 N 3.33 0.53 -0.80 0.00 0.11 -2.00 0.52 132.00 133.68 2jc1 h PRO 247 Ca -0.49 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2jc1 h PRO 247 Cb 1.23 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2jc1 h PRO 247 CO 0.65 0.35 0.34 1.49 -0.21 0.00 0.00 178.00 180.62 2jc1 h GLU 248 N 0.55 1.19 -0.69 1.05 4.81 -2.00 -2.06 114.58 117.42 2jc1 h GLU 248 Ca 0.64 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 2jc1 h GLU 248 Cb 1.28 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 2jc1 h GLU 248 CO -0.45 0.95 0.32 0.00 -0.73 0.00 0.00 179.01 179.10 2jc1 h ALA 249 N 1.18 0.89 -0.94 2.92 0.00 -1.31 -2.23 119.26 119.78 2jc1 h ALA 249 Ca 0.27 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.12 2jc1 h ALA 249 Cb 0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2jc1 h ALA 249 CO -0.03 0.47 0.58 0.00 0.00 0.00 0.00 179.25 180.28 2jc1 h ARG 250 N 0.97 0.94 -0.17 0.00 3.08 -0.79 -1.39 114.38 117.02 2jc1 h ARG 250 Ca 0.24 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 2jc1 h ARG 250 Cb 0.15 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2jc1 h ARG 250 CO -0.03 0.62 -0.36 0.37 -1.07 0.00 0.00 179.97 179.50 2jc1 h GLN 251 N 0.96 0.54 -0.35 0.04 5.75 -1.22 -2.04 115.11 118.79 2jc1 h GLN 251 Ca 0.45 -0.36 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 2jc1 h GLN 251 Cb 0.37 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2jc1 h GLN 251 CO -0.24 0.97 -0.08 0.00 -2.65 0.00 0.00 178.83 176.83 2jc1 h ALA 252 N 0.57 1.20 -0.30 3.38 0.00 -1.06 -1.09 119.26 121.96 2jc1 h ALA 252 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2jc1 h ALA 252 Cb 0.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2jc1 h ALA 252 CO 0.08 0.52 -0.13 0.82 0.00 0.00 0.00 179.25 180.53 2jc1 h ILE 253 N 0.55 1.29 -0.37 0.00 2.04 -1.28 0.18 117.51 119.93 2jc1 h ILE 253 Ca 0.10 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.74 2jc1 h ILE 253 Cb 0.48 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2jc1 h ILE 253 CO 0.03 0.39 0.23 0.50 0.00 0.00 0.00 178.15 179.30 2jc1 h LYS 254 N 0.38 0.49 0.06 2.37 3.64 -1.25 -0.68 116.57 121.58 2jc1 h LYS 254 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jc1 h LYS 254 Cb 0.65 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2jc1 h LYS 254 CO 0.04 0.35 -0.05 1.03 -2.27 0.00 0.00 179.45 178.55 2jc1 h SER 255 N 0.48 -0.14 -0.84 4.20 0.87 -1.09 -0.96 113.55 116.08 2jc1 h SER 255 Ca 0.13 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2jc1 h SER 255 Cb -0.02 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 2jc1 h SER 255 CO -0.03 -0.09 0.54 -0.07 -0.53 0.00 0.00 176.83 176.66 2jc1 h LEU 256 N -0.12 0.91 0.08 2.23 3.38 -0.58 -0.80 115.31 120.40 2jc1 h LEU 256 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jc1 h LEU 256 Cb 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jc1 h LEU 256 CO -0.01 0.63 -0.06 0.74 0.09 0.00 0.00 178.44 179.84 2jc1 h THR 257 N 1.07 0.88 -0.29 0.22 2.02 -0.99 0.57 112.91 116.40 2jc1 h THR 257 Ca 0.33 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.36 2jc1 h THR 257 Cb -0.03 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2jc1 h THR 257 CO -0.10 0.00 -0.40 -0.33 0.37 0.00 0.00 175.52 175.05 2jc1 h GLU 258 N -0.14 0.69 0.00 6.66 4.39 -0.94 -1.00 114.58 124.24 2jc1 h GLU 258 Ca -0.00 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.26 2jc1 h GLU 258 Cb 0.12 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2jc1 h GLU 258 CO 0.00 0.97 -1.98 0.54 -1.16 0.00 0.00 179.01 177.38 2jc1 n ARG 259 N -4.03 0.66 0.03 2.33 1.74 -0.33 -4.68 116.66 112.38 2jc1 n ARG 259 Ca -0.02 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2jc1 n ARG 259 Cb 0.53 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2jc1 n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2jc1 n LEU 260 N -2.40 0.22 -0.07 0.55 7.94 0.05 -0.53 117.00 122.76 2jc1 n LEU 260 Ca -0.09 0.11 -0.12 0.00 -1.11 0.00 0.00 56.01 54.80 2jc1 n LEU 260 Cb 0.69 -0.01 -0.05 0.00 0.53 0.00 0.00 43.42 44.58 2jc1 n LEU 260 CO 0.45 -0.42 0.74 1.88 -1.11 0.00 0.00 177.39 178.93 2jc1 h TYR 261 N 0.00 0.44 -0.25 1.96 0.05 -1.06 -2.89 116.97 115.23 2jc1 h TYR 261 Ca 0.00 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 2jc1 h TYR 261 Cb 0.37 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 2jc1 h TYR 261 CO 0.00 0.60 -0.02 0.82 -1.05 0.00 0.00 178.16 178.51 2jc1 h ILE 262 N 0.16 1.16 0.00 -2.88 2.04 -1.44 -3.42 117.51 113.14 2jc1 h ILE 262 Ca 0.06 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2jc1 h ILE 262 Cb 0.44 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2jc1 h ILE 262 CO 0.01 0.22 0.00 0.61 0.00 0.00 0.00 178.15 178.99 2jc1 n GLY 263 N -1.00 -0.51 0.00 5.37 0.00 -1.09 -3.90 105.19 104.06 2jc1 n GLY 263 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2jc1 n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jc1 n GLY 264 N -0.93 -0.80 3.80 -0.02 0.00 -0.73 -4.07 105.19 102.45 2jc1 n GLY 264 Ca 0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 2jc1 n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jc1 s PRO 265 N -2.00 3.90 -0.14 1.61 0.04 -1.26 -0.66 135.00 136.50 2jc1 s PRO 265 Ca 0.00 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 2jc1 s PRO 265 Cb 0.00 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2jc1 s PRO 265 CO 0.00 -0.34 -0.10 -0.51 0.04 0.00 0.00 177.00 176.09 2jc1 s LEU 266 N -3.40 2.88 -0.06 -3.56 1.43 -0.20 -2.62 118.68 113.16 2jc1 s LEU 266 Ca 0.66 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 2jc1 s LEU 266 Cb -0.15 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2jc1 s LEU 266 CO 0.18 0.17 -0.24 -0.89 0.23 0.00 0.00 176.35 175.80 2jc1 s THR 267 N 0.34 2.13 0.97 5.49 2.01 0.72 -0.64 115.64 126.65 2jc1 s THR 267 Ca -0.09 -1.04 -0.16 0.00 0.31 0.00 0.00 61.69 60.72 2jc1 s THR 267 Cb -0.15 -1.78 0.19 0.00 0.01 0.00 0.00 72.50 70.77 2jc1 s THR 267 CO 0.05 0.57 1.27 0.54 -0.69 0.00 0.00 174.62 176.36 2jc1 s ASN 268 N -0.12 3.05 0.62 3.53 2.20 0.67 -1.60 114.94 123.29 2jc1 s ASN 268 Ca -0.05 0.41 0.40 0.00 -0.94 0.00 0.00 52.86 52.68 2jc1 s ASN 268 Cb -0.14 -0.56 2.06 0.00 -2.00 0.00 0.00 41.25 40.61 2jc1 s ASN 268 CO 0.04 -2.78 2.25 0.77 -2.94 0.00 0.00 177.10 174.43 2jc1 h SER 269 N -1.67 0.00 -0.21 3.54 4.64 -1.77 -1.38 113.55 116.70 2jc1 h SER 269 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2jc1 h SER 269 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2jc1 h SER 269 CO 0.42 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.68 2jc1 n LYS 270 N -3.17 1.82 -0.99 4.77 5.02 -1.26 -4.94 118.16 119.42 2jc1 n LYS 270 Ca -0.02 -1.24 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 2jc1 n LYS 270 Cb 0.15 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2jc1 n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jc1 n GLY 271 N 1.17 0.50 3.84 0.72 0.00 -0.52 -5.05 105.19 105.85 2jc1 n GLY 271 Ca 0.16 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2jc1 n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jc1 s GLN 272 N -0.06 4.02 -0.15 1.61 -0.21 -1.26 -4.82 119.66 118.79 2jc1 s GLN 272 Ca 0.00 0.55 -0.29 0.00 0.02 0.00 0.00 55.36 55.64 2jc1 s GLN 272 Cb 0.00 -2.91 -0.02 0.00 1.00 0.00 0.00 33.01 31.08 2jc1 s GLN 272 CO 0.00 0.46 1.35 1.21 -2.12 0.00 0.00 175.29 176.18 2jc1 s ASN 273 N -1.72 6.87 0.03 5.90 3.04 -1.26 -0.23 114.94 127.56 2jc1 s ASN 273 Ca 0.39 1.77 0.22 0.00 0.04 0.00 0.00 52.86 55.29 2jc1 s ASN 273 Cb -0.15 -2.54 -0.13 0.00 -1.54 0.00 0.00 41.25 36.89 2jc1 s ASN 273 CO 0.19 -0.82 0.83 0.00 -3.04 0.00 0.00 177.10 174.26 2jc1 n GLY 275 N 1.33 0.37 3.02 0.00 0.00 -1.22 -0.68 105.19 108.00 2jc1 n GLY 275 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 2jc1 n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jc1 s TYR 276 N -4.00 -0.19 -0.14 1.61 6.14 0.03 -1.03 117.35 119.78 2jc1 s TYR 276 Ca 0.00 0.47 -0.08 0.00 0.64 0.00 0.00 57.07 58.11 2jc1 s TYR 276 Cb 0.00 0.03 -0.04 0.00 0.42 0.00 0.00 41.96 42.37 2jc1 s TYR 276 CO 0.00 -0.11 0.14 0.50 0.64 0.00 0.00 175.55 176.71 2jc1 s ARG 277 N 0.40 3.58 -0.10 4.97 3.52 0.17 -0.96 118.95 130.54 2jc1 s ARG 277 Ca -0.03 -0.15 0.19 0.00 -0.13 0.00 0.00 55.73 55.61 2jc1 s ARG 277 Cb -0.04 -3.23 0.43 0.00 -1.56 0.00 0.00 34.95 30.55 2jc1 s ARG 277 CO -0.02 0.68 1.19 0.54 -0.81 0.00 0.00 175.30 176.88 2jc1 n ARG 278 N 2.30 0.74 -2.57 5.12 1.74 -0.46 -1.78 116.66 121.75 2jc1 n ARG 278 Ca -0.19 -2.60 -0.05 0.00 -0.77 0.00 0.00 57.85 54.23 2jc1 n ARG 278 Cb 0.54 -0.74 -0.02 0.00 -1.02 0.00 0.00 32.46 31.22 2jc1 n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jc1 s ARG 280 N -2.35 4.14 0.10 0.00 6.06 -0.93 -4.60 118.95 121.37 2jc1 s ARG 280 Ca 0.10 2.57 -0.30 0.00 -2.50 0.00 0.00 55.73 55.60 2jc1 s ARG 280 Cb 0.00 -3.42 -0.06 0.00 0.06 0.00 0.00 34.95 31.54 2jc1 s ARG 280 CO 0.07 -0.80 1.11 0.00 -2.50 0.00 0.00 175.30 173.19 2jc1 s ALA 281 N 2.18 3.34 0.03 6.12 0.00 -1.26 -4.78 121.76 127.39 2jc1 s ALA 281 Ca 0.78 0.78 0.26 0.00 0.00 0.00 0.00 51.96 53.78 2jc1 s ALA 281 Cb -0.47 -3.38 0.91 0.00 0.00 0.00 0.00 23.12 20.18 2jc1 s ALA 281 CO 0.34 -0.29 1.82 0.66 0.00 0.00 0.00 175.76 178.29 2jc1 h SER 282 N 6.02 0.00 -1.37 0.00 4.64 -1.91 -3.36 113.55 117.56 2jc1 h SER 282 Ca -0.43 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.29 2jc1 h SER 282 Cb 1.21 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.91 2jc1 h SER 282 CO 0.76 0.15 -0.45 0.61 -0.87 0.00 0.00 176.83 177.03 2jc1 n GLY 283 N 0.32 6.04 3.47 -0.77 0.00 0.54 -4.33 105.19 110.46 2jc1 n GLY 283 Ca 0.01 -2.69 -0.23 0.00 0.00 0.00 0.00 46.02 43.11 2jc1 n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jc1 s VAL 284 N -5.23 1.65 0.31 1.61 -7.23 -1.14 -4.35 120.40 106.02 2jc1 s VAL 284 Ca 0.50 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 2jc1 s VAL 284 Cb 0.41 -2.62 0.15 0.00 0.56 0.00 0.00 36.38 34.88 2jc1 s VAL 284 CO -0.16 -0.18 1.84 0.25 -0.31 0.00 0.00 175.10 176.55 2jc1 h LEU 285 N 2.14 0.63 -0.42 1.32 5.85 -1.81 -2.58 115.31 120.45 2jc1 h LEU 285 Ca -0.41 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2jc1 h LEU 285 Cb 1.24 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2jc1 h LEU 285 CO 0.70 0.67 0.00 0.35 -0.34 0.00 0.00 178.44 179.82 2jc1 n THR 286 N -4.27 0.02 -0.01 1.05 -2.24 -1.26 -4.36 114.28 103.22 2jc1 n THR 286 Ca 0.03 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 2jc1 n THR 286 Cb 0.24 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 2jc1 n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2jc1 h THR 287 N 0.97 0.89 0.03 4.28 2.02 -1.74 0.50 112.91 119.87 2jc1 h THR 287 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2jc1 h THR 287 Cb 0.21 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2jc1 h THR 287 CO 0.00 0.00 -0.02 -1.28 0.37 0.00 0.00 175.52 174.60 2jc1 h SER 288 N 0.01 -0.04 -0.23 4.18 0.87 -1.76 -0.13 113.55 116.45 2jc1 h SER 288 Ca 0.06 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 2jc1 h SER 288 Cb 0.08 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2jc1 h SER 288 CO -0.11 0.44 0.09 0.00 -0.53 0.00 0.00 176.83 176.72 2jc1 h GLY 290 N 0.22 0.38 1.03 0.00 0.00 -0.05 -0.82 103.07 103.83 2jc1 h GLY 290 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 2jc1 h GLY 290 CO -0.01 0.01 0.36 3.43 0.00 0.00 0.00 176.54 180.34 2jc1 h ASN 291 N 0.22 1.02 0.22 0.19 2.35 -0.85 -1.92 115.58 116.81 2jc1 h ASN 291 Ca 0.14 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2jc1 h ASN 291 Cb 0.13 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2jc1 h ASN 291 CO -0.16 0.88 -0.11 0.74 -1.65 0.00 0.00 177.43 177.13 2jc1 h THR 292 N 1.10 0.84 -0.51 2.81 2.02 -1.04 0.55 112.91 118.67 2jc1 h THR 292 Ca 0.26 -0.36 0.09 0.00 0.77 0.00 0.00 66.41 67.18 2jc1 h THR 292 Cb 0.13 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 2jc1 h THR 292 CO -0.03 0.08 0.09 -0.07 0.37 0.00 0.00 175.52 175.96 2jc1 h LEU 293 N -0.48 -0.03 -0.23 2.58 3.38 -1.08 0.33 115.31 119.78 2jc1 h LEU 293 Ca -0.03 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 2jc1 h LEU 293 Cb 0.36 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jc1 h LEU 293 CO 0.05 0.01 -0.46 0.74 0.09 0.00 0.00 178.44 178.87 2jc1 h THR 294 N 0.22 1.31 -0.12 0.22 2.02 -1.25 0.84 112.91 116.14 2jc1 h THR 294 Ca 0.26 -1.67 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 2jc1 h THR 294 Cb 0.36 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2jc1 h THR 294 CO -0.35 0.53 0.07 0.00 0.37 0.00 0.00 175.52 176.14 2jc1 h TYR 296 N 0.14 1.03 0.72 0.00 5.03 -0.76 -0.67 116.97 122.45 2jc1 h TYR 296 Ca 0.04 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.32 2jc1 h TYR 296 Cb 0.02 -0.34 0.01 0.00 1.55 0.00 0.00 36.73 37.97 2jc1 h TYR 296 CO -0.06 0.67 -0.35 1.25 -1.32 0.00 0.00 178.16 178.36 2jc1 h LEU 297 N 1.08 -0.82 -0.66 2.82 5.85 -0.76 0.10 115.31 122.91 2jc1 h LEU 297 Ca 0.29 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.07 2jc1 h LEU 297 Cb -0.07 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2jc1 h LEU 297 CO -0.06 -0.58 0.40 0.11 -0.34 0.00 0.00 178.44 177.97 2jc1 h LYS 298 N -0.97 0.75 -0.14 1.25 1.57 -1.24 -2.22 116.57 115.56 2jc1 h LYS 298 Ca -0.10 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 2jc1 h LYS 298 Cb 0.74 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2jc1 h LYS 298 CO 0.16 0.49 -0.28 0.00 -0.57 0.00 0.00 179.45 179.25 2jc1 h ALA 299 N 1.30 0.22 -0.97 3.86 0.00 -1.12 -0.95 119.26 121.61 2jc1 h ALA 299 Ca 0.28 -0.40 0.13 0.00 0.00 0.00 0.00 54.91 54.91 2jc1 h ALA 299 Cb 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 2jc1 h ALA 299 CO -0.13 0.23 0.60 0.77 0.00 0.00 0.00 179.25 180.71 2jc1 h SER 300 N 0.04 0.84 -0.23 0.00 0.02 -0.74 -0.23 113.55 113.25 2jc1 h SER 300 Ca 0.00 0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 60.82 2jc1 h SER 300 Cb 0.88 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2jc1 h SER 300 CO 0.06 0.42 -0.59 0.00 -1.14 0.00 0.00 176.83 175.58 2jc1 h ALA 301 N 1.55 0.46 -0.46 3.77 0.00 -1.27 -3.04 119.26 120.27 2jc1 h ALA 301 Ca 0.50 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jc1 h ALA 301 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2jc1 h ALA 301 CO -0.29 0.68 0.12 0.00 0.00 0.00 0.00 179.25 179.76 2jc1 h ALA 302 N 0.69 1.35 -0.70 0.00 0.00 -0.78 -1.44 119.26 118.39 2jc1 h ALA 302 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jc1 h ALA 302 Cb 1.20 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2jc1 h ALA 302 CO 0.13 0.46 0.43 0.00 0.00 0.00 0.00 179.25 180.27 2jc1 h ARG 304 N 0.83 0.23 -0.61 0.00 3.08 -1.41 0.23 114.38 116.74 2jc1 h ARG 304 Ca 0.29 -0.13 0.11 0.00 0.07 0.00 0.00 59.98 60.32 2jc1 h ARG 304 Cb 0.05 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 29.99 2jc1 h ARG 304 CO -0.12 0.69 -0.28 0.00 -1.07 0.00 0.00 179.97 179.19 2jc1 h ALA 305 N 0.53 0.11 0.00 0.04 0.00 -1.15 -1.58 119.26 117.21 2jc1 h ALA 305 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jc1 h ALA 305 Cb 0.67 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2jc1 h ALA 305 CO 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 179.25 178.68 2jc1 n ALA 306 N -3.14 2.20 -2.65 0.00 0.00 0.34 -4.91 120.51 112.35 2jc1 n ALA 306 Ca 0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.19 2jc1 n ALA 306 Cb 0.35 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2jc1 n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jc1 n LYS 307 N -1.31 -2.77 -1.88 0.00 5.02 -0.04 -4.83 118.16 112.36 2jc1 n LYS 307 Ca 0.11 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.82 2jc1 n LYS 307 Cb 0.20 -5.54 -0.01 0.00 -0.02 0.00 0.00 35.03 29.65 2jc1 n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jc1 s LEU 308 N -6.14 4.36 -0.09 -0.35 1.02 -0.55 -4.98 118.68 111.95 2jc1 s LEU 308 Ca 0.11 2.87 -0.15 0.00 0.02 0.00 0.00 54.13 56.99 2jc1 s LEU 308 Cb -0.05 -3.64 -0.05 0.00 0.02 0.00 0.00 46.19 42.47 2jc1 s LEU 308 CO 0.14 -0.81 0.37 -1.10 0.02 0.00 0.00 176.35 174.96 2jc1 s GLN 309 N -0.95 4.08 -1.24 1.70 -0.21 -1.26 -4.50 119.66 117.28 2jc1 s GLN 309 Ca 0.58 0.28 -0.13 0.00 0.02 0.00 0.00 55.36 56.11 2jc1 s GLN 309 Cb -0.45 -3.33 -0.00 0.00 1.00 0.00 0.00 33.01 30.23 2jc1 s GLN 309 CO 0.51 0.44 0.67 -3.47 -2.12 0.00 0.00 175.29 171.32 2jc1 n ASP 310 N 2.78 -3.40 -4.72 5.90 2.03 -1.26 -1.14 116.55 116.75 2jc1 n ASP 310 Ca -0.12 -1.00 -0.42 0.00 0.52 0.00 0.00 54.79 53.76 2jc1 n ASP 310 Cb 0.52 -3.30 -0.03 0.00 -0.72 0.00 0.00 41.12 37.59 2jc1 n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jc1 s THR 312 N 0.98 1.71 0.13 0.00 2.01 0.12 -4.98 115.64 115.61 2jc1 s THR 312 Ca 0.59 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.90 2jc1 s THR 312 Cb -0.31 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2jc1 s THR 312 CO 0.30 0.48 0.15 -0.04 -0.69 0.00 0.00 174.62 174.81 2jc1 s MET 313 N 1.43 3.02 -0.12 4.92 -1.94 -1.26 -0.63 119.30 124.71 2jc1 s MET 313 Ca 0.05 -0.74 -0.01 0.00 -1.71 0.00 0.00 55.69 53.28 2jc1 s MET 313 Cb -0.13 -2.75 0.04 0.00 2.01 0.00 0.00 34.83 34.00 2jc1 s MET 313 CO -0.11 0.53 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.24 2jc1 s LEU 314 N -2.85 1.01 -0.07 -0.03 2.96 0.15 -4.16 118.68 115.69 2jc1 s LEU 314 Ca 0.31 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2jc1 s LEU 314 Cb -0.11 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 45.96 2jc1 s LEU 314 CO 0.24 -0.20 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.26 2jc1 s VAL 315 N 1.84 1.13 -0.37 1.68 1.01 -0.02 -1.73 120.40 123.93 2jc1 s VAL 315 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2jc1 s VAL 315 Cb -0.14 -1.04 0.13 0.00 0.00 0.00 0.00 36.38 35.33 2jc1 s VAL 315 CO -0.07 0.36 0.19 0.20 0.00 0.00 0.00 175.10 175.78 2jc1 s ASN 316 N 0.68 3.54 1.85 3.32 -0.87 -0.26 0.01 114.94 123.20 2jc1 s ASN 316 Ca -0.14 -2.16 0.00 0.00 -1.57 0.00 0.00 52.86 48.98 2jc1 s ASN 316 Cb -0.16 -0.76 0.00 0.00 -0.02 0.00 0.00 41.25 40.31 2jc1 s ASN 316 CO 0.04 -0.33 0.00 0.61 -2.57 0.00 0.00 177.10 174.85 2jc1 n GLY 317 N 4.13 3.55 0.15 0.66 0.00 -1.26 -1.10 105.19 111.32 2jc1 n GLY 317 Ca 0.06 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.15 2jc1 n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jc1 n ASP 318 N 6.94 0.50 -4.66 1.61 5.68 -1.26 -3.69 116.55 121.67 2jc1 n ASP 318 Ca 0.00 -0.96 -0.41 0.00 -0.50 0.00 0.00 54.79 52.92 2jc1 n ASP 318 Cb 0.00 -0.04 -0.05 0.00 -1.14 0.00 0.00 41.12 39.90 2jc1 n ASP 318 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jc1 s ASP 319 N -2.17 6.84 -0.02 -1.12 -1.08 -0.26 -4.66 116.67 114.20 2jc1 s ASP 319 Ca 0.39 1.03 0.01 0.00 -0.52 0.00 0.00 52.55 53.45 2jc1 s ASP 319 Cb 0.21 -2.42 0.02 0.00 -1.46 0.00 0.00 42.92 39.28 2jc1 s ASP 319 CO 0.40 -0.40 -0.01 -0.22 0.52 0.00 0.00 175.17 175.46 2jc1 s LEU 320 N 2.29 1.32 -0.03 -1.34 2.96 -1.26 -1.11 118.68 121.52 2jc1 s LEU 320 Ca 0.34 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 2jc1 s LEU 320 Cb -0.16 -0.21 -0.00 0.00 0.50 0.00 0.00 46.19 46.32 2jc1 s LEU 320 CO 0.10 -0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.24 2jc1 s VAL 321 N 0.82 1.05 -0.07 1.68 1.01 -0.71 -1.36 120.40 122.81 2jc1 s VAL 321 Ca -0.08 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2jc1 s VAL 321 Cb -0.11 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 2jc1 s VAL 321 CO -0.01 0.31 -0.21 -0.69 0.00 0.00 0.00 175.10 174.50 2jc1 s VAL 322 N 0.04 1.78 -0.09 2.92 1.01 -0.12 -0.67 120.40 125.27 2jc1 s VAL 322 Ca -0.02 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2jc1 s VAL 322 Cb -0.09 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.77 2jc1 s VAL 322 CO 0.01 0.50 -0.15 -0.63 0.00 0.00 0.00 175.10 174.82 2jc1 s ILE 323 N 0.19 1.43 0.18 2.22 1.01 0.19 -1.14 121.20 125.28 2jc1 s ILE 323 Ca -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.93 2jc1 s ILE 323 Cb -0.15 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2jc1 s ILE 323 CO 0.05 0.42 0.20 0.00 0.00 0.00 0.00 174.94 175.62 2jc1 s GLU 325 N -2.57 4.32 0.36 0.00 2.56 -0.29 -1.32 118.70 121.76 2jc1 s GLU 325 Ca 0.18 1.24 -0.28 0.00 0.00 0.00 0.00 54.97 56.11 2jc1 s GLU 325 Cb 0.00 -3.59 -0.11 0.00 2.00 0.00 0.00 34.13 32.43 2jc1 s GLU 325 CO 0.13 -0.43 1.52 0.45 -0.56 0.00 0.00 175.26 176.37 2jc1 n SER 326 N 5.54 3.86 -1.31 -1.70 2.88 0.90 -4.40 113.62 119.39 2jc1 n SER 326 Ca 0.08 1.21 0.09 0.00 -1.33 0.00 0.00 58.87 58.93 2jc1 n SER 326 Cb 0.48 -1.62 0.31 0.00 -0.75 0.00 0.00 64.21 62.62 2jc1 n SER 326 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jc1 n ALA 327 N 0.76 2.84 0.00 -1.46 0.00 -1.26 -4.89 120.51 116.50 2jc1 n ALA 327 Ca 0.02 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.88 2jc1 n ALA 327 Cb 0.39 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2jc1 n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jc1 n GLY 328 N 0.86 2.41 0.09 0.00 0.00 -1.26 -4.62 105.19 102.67 2jc1 n GLY 328 Ca 0.23 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 2jc1 n GLY 328 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jc1 h VAL 329 N 0.00 1.07 -0.52 1.61 3.04 -1.99 0.87 116.25 120.34 2jc1 h VAL 329 Ca 0.00 -0.19 -0.10 0.00 -1.01 0.00 0.00 66.70 65.40 2jc1 h VAL 329 Cb 0.00 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 30.21 2jc1 h VAL 329 CO 0.00 0.07 -0.06 1.56 -1.01 0.00 0.00 177.57 178.13 2jc1 h GLN 330 N 0.15 0.97 -0.63 4.17 1.08 -2.00 -2.13 115.11 116.72 2jc1 h GLN 330 Ca 0.05 -0.34 -0.07 0.00 -1.45 0.00 0.00 58.65 56.84 2jc1 h GLN 330 Cb 0.04 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 2jc1 h GLN 330 CO -0.01 1.01 0.11 0.93 -0.95 0.00 0.00 178.83 179.92 2jc1 h GLU 331 N 0.84 1.04 -0.26 1.46 3.07 -1.79 -2.53 114.58 116.42 2jc1 h GLU 331 Ca 0.14 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 2jc1 h GLU 331 Cb 0.61 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2jc1 h GLU 331 CO 0.04 0.97 0.06 -0.44 -1.40 0.00 0.00 179.01 178.23 2jc1 h ASP 332 N 0.96 0.39 -0.29 1.42 3.32 -0.72 -0.83 116.42 120.67 2jc1 h ASP 332 Ca 0.19 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2jc1 h ASP 332 Cb 0.42 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2jc1 h ASP 332 CO 0.01 0.53 0.05 0.00 -1.72 0.00 0.00 179.24 178.12 2jc1 h ALA 333 N 0.88 1.39 -0.28 3.45 0.00 -1.36 -1.36 119.26 121.97 2jc1 h ALA 333 Ca 0.08 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2jc1 h ALA 333 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jc1 h ALA 333 CO 0.00 0.43 -0.47 0.00 0.00 0.00 0.00 179.25 179.22 2jc1 h ALA 334 N 1.51 0.44 -0.76 0.00 0.00 -1.30 -3.01 119.26 116.14 2jc1 h ALA 334 Ca 0.12 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2jc1 h ALA 334 Cb 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2jc1 h ALA 334 CO 0.00 0.60 0.42 0.77 0.00 0.00 0.00 179.25 181.03 2jc1 h SER 335 N 0.58 0.93 -0.47 0.00 0.02 -0.72 -2.34 113.55 111.54 2jc1 h SER 335 Ca 0.02 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 2jc1 h SER 335 Cb 1.07 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2jc1 h SER 335 CO 0.11 0.75 0.07 0.25 -1.14 0.00 0.00 176.83 176.87 2jc1 h LEU 336 N 1.05 0.81 -0.69 5.07 5.85 -1.27 0.31 115.31 126.45 2jc1 h LEU 336 Ca 0.27 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jc1 h LEU 336 Cb 0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2jc1 h LEU 336 CO -0.04 0.83 0.42 0.03 -0.34 0.00 0.00 178.44 179.34 2jc1 h ARG 337 N 0.81 0.94 -0.32 1.25 3.08 -1.29 -1.01 114.38 117.83 2jc1 h ARG 337 Ca 0.17 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 2jc1 h ARG 337 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2jc1 h ARG 337 CO 0.01 0.66 -0.16 0.28 -1.07 0.00 0.00 179.97 179.69 2jc1 h VAL 338 N 0.94 1.29 -0.67 2.04 2.07 -1.06 -1.13 116.25 119.73 2jc1 h VAL 338 Ca 0.25 -1.27 0.14 0.00 0.82 0.00 0.00 66.70 66.64 2jc1 h VAL 338 Cb -0.04 1.43 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 2jc1 h VAL 338 CO -0.05 0.41 0.09 0.15 0.02 0.00 0.00 177.57 178.19 2jc1 h PHE 339 N 0.43 0.13 -0.43 1.57 3.04 -0.81 -1.11 116.94 119.75 2jc1 h PHE 339 Ca 0.07 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.93 2jc1 h PHE 339 Cb 0.69 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 2jc1 h PHE 339 CO 0.06 -0.12 -0.25 1.15 -2.02 0.00 0.00 178.31 177.13 2jc1 h THR 340 N 0.20 1.27 -0.63 4.41 2.02 -0.81 -1.06 112.91 118.32 2jc1 h THR 340 Ca 0.36 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 66.14 2jc1 h THR 340 Cb 0.60 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 2jc1 h THR 340 CO -0.51 0.48 0.42 -0.33 0.37 0.00 0.00 175.52 175.95 2jc1 h GLU 341 N 0.76 0.80 -0.03 6.66 5.08 -0.71 -0.88 114.58 126.26 2jc1 h GLU 341 Ca 0.09 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2jc1 h GLU 341 Cb 0.83 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2jc1 h GLU 341 CO 0.07 0.53 -0.44 0.00 -1.00 0.00 0.00 179.01 178.17 2jc1 h ALA 342 N 1.61 0.09 -0.79 3.43 0.00 -0.83 -1.94 119.26 120.84 2jc1 h ALA 342 Ca 0.24 -0.51 0.09 0.00 0.00 0.00 0.00 54.91 54.73 2jc1 h ALA 342 Cb -0.04 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2jc1 h ALA 342 CO -0.06 0.25 0.45 0.52 0.00 0.00 0.00 179.25 180.41 2jc1 h MET 343 N -0.18 0.73 -0.17 0.00 2.86 -1.01 -1.35 114.93 115.82 2jc1 h MET 343 Ca -0.05 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2jc1 h MET 343 Cb 1.13 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2jc1 h MET 343 CO 0.09 0.49 0.10 1.15 1.06 0.00 0.00 176.91 179.80 2jc1 h THR 344 N 0.76 1.09 -0.66 2.22 2.02 -1.10 0.88 112.91 118.12 2jc1 h THR 344 Ca 0.38 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 67.39 2jc1 h THR 344 Cb 0.34 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2jc1 h THR 344 CO -0.24 0.08 0.43 0.03 0.37 0.00 0.00 175.52 176.19 2jc1 h ARG 345 N 0.20 0.68 0.00 6.66 3.08 -0.88 -0.72 114.38 123.40 2jc1 h ARG 345 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2jc1 h ARG 345 Cb 0.04 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2jc1 h ARG 345 CO -0.01 0.45 0.00 0.66 -1.07 0.00 0.00 179.97 180.00 2jc1 n TYR 346 N -4.47 0.00 -2.21 3.04 4.01 -0.55 -0.54 117.16 116.44 2jc1 n TYR 346 Ca 0.09 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.80 2jc1 n TYR 346 Cb 0.20 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 2jc1 n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jc1 n SER 347 N -0.94 -4.32 -2.74 7.72 2.88 -0.28 -4.89 113.62 111.06 2jc1 n SER 347 Ca 0.18 -0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 2jc1 n SER 347 Cb 0.08 -2.74 0.06 0.00 -0.75 0.00 0.00 64.21 60.86 2jc1 n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jc1 n ALA 348 N -1.70 -1.58 -1.65 -1.46 0.00 0.26 -4.70 120.51 109.69 2jc1 n ALA 348 Ca -0.01 -1.27 -0.33 0.00 0.00 0.00 0.00 53.44 51.83 2jc1 n ALA 348 Cb 0.52 -1.55 0.02 0.00 0.00 0.00 0.00 19.45 18.43 2jc1 n ALA 348 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jc1 s PRO 349 N 0.55 3.21 0.50 0.00 0.02 -1.26 -3.80 135.00 134.21 2jc1 s PRO 349 Ca 0.29 1.33 -0.18 0.00 0.02 0.00 0.00 61.00 62.46 2jc1 s PRO 349 Cb 0.24 -2.01 -0.08 0.00 0.02 0.00 0.00 34.50 32.67 2jc1 s PRO 349 CO -0.20 -0.91 0.99 -1.25 -0.33 0.00 0.00 177.00 175.30 2jc1 s PRO 350 N -3.90 3.92 -0.14 5.54 0.04 -1.26 -1.53 135.00 137.67 2jc1 s PRO 350 Ca 0.66 1.07 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 2jc1 s PRO 350 Cb -0.18 -2.13 -0.24 0.00 0.04 0.00 0.00 34.50 31.99 2jc1 s PRO 350 CO 0.35 -0.30 0.71 0.78 0.04 0.00 0.00 177.00 178.58 2jc1 h GLY 351 N 1.16 0.00 -4.37 0.56 0.00 -1.20 -3.39 103.07 95.84 2jc1 h GLY 351 Ca -0.48 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.24 2jc1 h GLY 351 CO 0.61 0.00 -0.85 0.99 0.00 0.00 0.00 176.54 177.29 2jc1 s ASP 352 N -6.19 2.69 0.38 0.19 1.01 -1.26 -4.97 116.67 108.52 2jc1 s ASP 352 Ca -0.18 -0.58 -0.27 0.00 0.71 0.00 0.00 52.55 52.23 2jc1 s ASP 352 Cb -0.03 -0.21 -0.09 0.00 1.01 0.00 0.00 42.92 43.60 2jc1 s ASP 352 CO 0.64 0.17 1.30 -2.84 0.21 0.00 0.00 175.17 174.65 2jc1 s PRO 353 N -1.37 4.11 0.59 8.23 0.02 -1.26 -4.60 135.00 140.73 2jc1 s PRO 353 Ca 0.09 2.17 -0.18 0.00 0.02 0.00 0.00 61.00 63.09 2jc1 s PRO 353 Cb -0.09 -2.87 -0.03 0.00 0.02 0.00 0.00 34.50 31.52 2jc1 s PRO 353 CO 0.03 -0.38 1.17 -1.25 -0.33 0.00 0.00 177.00 176.24 2jc1 s PRO 354 N -2.08 3.03 -0.06 5.54 0.04 -1.26 -5.02 135.00 135.18 2jc1 s PRO 354 Ca 0.54 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.31 2jc1 s PRO 354 Cb -0.38 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.22 2jc1 s PRO 354 CO 0.50 -1.13 -0.13 -1.14 0.04 0.00 0.00 177.00 175.14 2jc1 s GLN 355 N -3.43 1.73 0.30 4.56 0.74 -1.26 -5.01 119.66 117.29 2jc1 s GLN 355 Ca 0.75 -0.45 -0.29 0.00 0.05 0.00 0.00 55.36 55.42 2jc1 s GLN 355 Cb -0.27 -1.43 -0.10 0.00 1.10 0.00 0.00 33.01 32.31 2jc1 s GLN 355 CO 0.33 0.06 1.28 -2.14 -0.55 0.00 0.00 175.29 174.27 2jc1 s PRO 356 N 0.56 4.40 0.06 1.67 0.02 -1.26 -4.56 135.00 135.88 2jc1 s PRO 356 Ca -0.13 2.14 0.08 0.00 0.02 0.00 0.00 61.00 63.11 2jc1 s PRO 356 Cb -0.15 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 2jc1 s PRO 356 CO 0.04 -0.15 -0.22 -1.21 -0.33 0.00 0.00 177.00 175.13 2jc1 s GLU 357 N -1.46 1.40 0.00 5.54 0.41 0.46 -4.97 118.70 120.07 2jc1 s GLU 357 Ca 0.50 -1.01 0.03 0.00 -0.41 0.00 0.00 54.97 54.07 2jc1 s GLU 357 Cb -0.38 -1.56 0.07 0.00 -1.78 0.00 0.00 34.13 30.47 2jc1 s GLU 357 CO 0.49 0.39 0.93 0.66 -0.49 0.00 0.00 175.26 177.25 2jc1 n TYR 358 N 1.68 0.09 -3.96 1.61 4.01 -1.26 -1.85 117.16 117.48 2jc1 n TYR 358 Ca -0.18 -0.35 -0.30 0.00 -0.16 0.00 0.00 57.90 56.91 2jc1 n TYR 358 Cb 0.53 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 39.37 2jc1 n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jc1 s ASP 359 N -0.78 3.14 0.37 7.72 -1.08 -1.26 -5.00 116.67 119.77 2jc1 s ASP 359 Ca 0.06 -0.78 0.15 0.00 -0.52 0.00 0.00 52.55 51.46 2jc1 s ASP 359 Cb 0.03 -1.12 1.01 0.00 -1.46 0.00 0.00 42.92 41.38 2jc1 s ASP 359 CO 0.04 -0.15 1.76 0.25 0.52 0.00 0.00 175.17 177.59 2jc1 h LEU 360 N 8.03 0.54 -0.09 -1.34 5.85 -1.97 -1.41 115.31 124.92 2jc1 h LEU 360 Ca -0.27 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2jc1 h LEU 360 Cb 1.11 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2jc1 h LEU 360 CO 0.45 0.11 0.00 -0.62 -0.34 0.00 0.00 178.44 178.04 2jc1 n GLU 361 N -4.72 0.03 0.00 1.25 1.02 -1.26 -1.47 120.64 115.48 2jc1 n GLU 361 Ca 0.26 0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.77 2jc1 n GLU 361 Cb 0.81 -1.55 0.23 0.00 -0.02 0.00 0.00 31.44 30.91 2jc1 n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2jc1 n LEU 362 N -1.60 1.94 -4.68 -4.62 4.77 -0.53 -4.61 117.00 107.67 2jc1 n LEU 362 Ca 0.04 -0.65 -0.39 0.00 -0.03 0.00 0.00 56.01 54.97 2jc1 n LEU 362 Cb 0.19 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 2jc1 n LEU 362 CO 0.15 0.34 0.30 -0.63 -1.33 0.00 0.00 177.39 176.23 2jc1 s ILE 363 N -2.25 5.08 -0.26 -0.08 1.01 -0.54 -5.04 121.20 119.11 2jc1 s ILE 363 Ca 0.27 1.11 -0.13 0.00 0.00 0.00 0.00 60.65 61.89 2jc1 s ILE 363 Cb 0.19 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2jc1 s ILE 363 CO 0.44 0.18 0.29 -0.89 0.00 0.00 0.00 174.94 174.96 2jc1 s THR 364 N 1.50 5.24 -0.05 2.92 2.01 -1.26 -4.36 115.64 121.65 2jc1 s THR 364 Ca 0.28 0.41 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 2jc1 s THR 364 Cb -0.16 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.75 2jc1 s THR 364 CO 0.11 0.22 0.12 -0.94 -0.69 0.00 0.00 174.62 173.44 2jc1 s SER 365 N 1.54 -0.11 -1.47 3.53 1.04 -0.05 -4.69 113.70 113.50 2jc1 s SER 365 Ca 0.12 0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.73 2jc1 s SER 365 Cb -0.15 0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.22 2jc1 s SER 365 CO 0.09 -0.07 0.63 0.00 0.98 0.00 0.00 173.24 174.88 2jc1 n SER 367 N -2.91 -5.51 -4.19 0.00 7.64 -1.26 -4.94 113.62 102.45 2jc1 n SER 367 Ca -0.17 0.50 -0.14 0.00 1.01 0.00 0.00 58.87 60.06 2jc1 n SER 367 Cb 0.62 -4.79 -0.11 0.00 -1.01 0.00 0.00 64.21 58.92 2jc1 n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jc1 s SER 368 N -2.76 1.50 0.06 6.43 0.01 -0.94 -4.66 113.70 113.33 2jc1 s SER 368 Ca 0.00 -0.85 0.05 0.00 1.31 0.00 0.00 55.95 56.46 2jc1 s SER 368 Cb 0.00 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 2jc1 s SER 368 CO 0.00 -0.28 -0.14 0.54 0.41 0.00 0.00 173.24 173.77 2jc1 s ASN 369 N -2.56 1.66 0.34 2.44 4.22 -0.25 -0.87 114.94 119.93 2jc1 s ASN 369 Ca 0.07 -0.54 -0.29 0.00 -2.14 0.00 0.00 52.86 49.96 2jc1 s ASN 369 Cb -0.02 -0.07 -0.11 0.00 1.28 0.00 0.00 41.25 42.33 2jc1 s ASN 369 CO -0.00 -0.03 1.43 -0.69 -2.04 0.00 0.00 177.10 175.77 2jc1 s VAL 370 N -1.08 2.34 0.34 3.54 1.01 -1.26 -1.58 120.40 123.71 2jc1 s VAL 370 Ca -0.00 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.32 2jc1 s VAL 370 Cb -0.09 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2jc1 s VAL 370 CO 0.02 0.08 0.40 -0.55 0.00 0.00 0.00 175.10 175.05 2jc1 s SER 371 N -0.18 1.18 0.00 3.32 0.15 -0.32 -4.44 113.70 113.42 2jc1 s SER 371 Ca 0.53 -1.59 0.02 0.00 0.70 0.00 0.00 55.95 55.61 2jc1 s SER 371 Cb -0.44 0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 64.49 2jc1 s SER 371 CO 0.57 -1.22 -0.07 0.54 1.20 0.00 0.00 173.24 174.26 2jc1 s VAL 372 N -3.18 0.54 0.03 4.45 0.11 -1.26 -1.61 120.40 119.48 2jc1 s VAL 372 Ca 0.34 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2jc1 s VAL 372 Cb 0.01 -0.47 -0.00 0.00 -1.53 0.00 0.00 36.38 34.39 2jc1 s VAL 372 CO 0.23 0.09 0.02 0.00 -3.33 0.00 0.00 175.10 172.11 2jc1 n ALA 373 N 2.76 0.06 -2.59 1.54 0.00 -0.05 -3.55 120.51 118.67 2jc1 n ALA 373 Ca -0.14 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 2jc1 n ALA 373 Cb 0.57 0.14 -0.14 0.00 0.00 0.00 0.00 19.45 20.03 2jc1 n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2jc1 s HIS 374 N -1.94 1.38 0.26 0.00 3.76 0.43 -0.54 115.29 118.64 2jc1 s HIS 374 Ca 0.03 -0.34 -0.03 0.00 -0.15 0.00 0.00 55.06 54.57 2jc1 s HIS 374 Cb 0.00 -0.83 0.06 0.00 1.11 0.00 0.00 32.58 32.92 2jc1 s HIS 374 CO 0.02 0.04 0.35 -0.40 -0.85 0.00 0.00 174.74 173.90 2jc1 n ASP 375 N 2.03 0.15 -0.23 1.40 5.68 -0.58 -0.77 116.55 124.24 2jc1 n ASP 375 Ca -0.17 -1.20 -0.02 0.00 -0.50 0.00 0.00 54.79 52.90 2jc1 n ASP 375 Cb 0.54 -0.26 0.04 0.00 -1.14 0.00 0.00 41.12 40.31 2jc1 n ASP 375 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jc1 h ALA 376 N -1.45 0.22 0.00 2.12 0.00 -1.91 -0.38 119.26 117.86 2jc1 h ALA 376 Ca -0.11 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jc1 h ALA 376 Cb 0.34 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jc1 h ALA 376 CO 0.09 -0.54 0.00 0.43 0.00 0.00 0.00 179.25 179.23 2jc1 n SER 377 N -5.46 0.63 0.00 0.00 7.64 -1.26 -4.87 113.62 110.30 2jc1 n SER 377 Ca 0.07 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.65 2jc1 n SER 377 Cb 0.36 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2jc1 n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jc1 n GLY 378 N -0.47 0.72 3.78 0.23 0.00 -0.15 -5.06 105.19 104.24 2jc1 n GLY 378 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2jc1 n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jc1 s LYS 379 N -0.62 4.14 0.17 1.61 2.20 -1.26 -4.67 119.74 121.31 2jc1 s LYS 379 Ca 0.00 1.55 -0.31 0.00 -0.36 0.00 0.00 55.97 56.85 2jc1 s LYS 379 Cb 0.00 -2.55 -0.09 0.00 -1.51 0.00 0.00 37.83 33.69 2jc1 s LYS 379 CO 0.00 -0.17 1.41 1.03 -0.36 0.00 0.00 175.35 177.25 2jc1 s ARG 380 N -2.49 4.31 -0.10 4.03 0.52 -1.26 -1.52 118.95 122.44 2jc1 s ARG 380 Ca 0.58 2.16 0.01 0.00 -0.52 0.00 0.00 55.73 57.96 2jc1 s ARG 380 Cb -0.23 -3.19 0.02 0.00 0.52 0.00 0.00 34.95 32.07 2jc1 s ARG 380 CO 0.29 -0.41 -0.13 0.08 0.02 0.00 0.00 175.30 175.15 2jc1 s VAL 381 N 0.60 1.32 0.32 3.52 1.01 0.30 -4.91 120.40 122.57 2jc1 s VAL 381 Ca 0.62 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2jc1 s VAL 381 Cb -0.39 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 2jc1 s VAL 381 CO 0.35 0.41 0.79 -0.31 0.00 0.00 0.00 175.10 176.34 2jc1 s TYR 382 N 1.12 3.44 0.21 5.22 2.02 -1.26 -0.87 117.35 127.24 2jc1 s TYR 382 Ca -0.05 1.37 -0.19 0.00 -0.37 0.00 0.00 57.07 57.83 2jc1 s TYR 382 Cb -0.14 -2.64 0.03 0.00 -0.40 0.00 0.00 41.96 38.81 2jc1 s TYR 382 CO -0.03 0.12 0.59 1.52 -1.57 0.00 0.00 175.55 176.17 2jc1 s TYR 383 N -1.89 -0.20 -0.14 2.71 1.13 -0.63 -4.97 117.35 113.36 2jc1 s TYR 383 Ca 0.53 -0.15 -0.06 0.00 -1.41 0.00 0.00 57.07 55.99 2jc1 s TYR 383 Cb -0.12 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 2jc1 s TYR 383 CO 0.18 -0.99 0.06 -0.51 -2.51 0.00 0.00 175.55 171.78 2jc1 s LEU 384 N -2.87 3.85 0.36 -3.49 1.43 -1.26 -1.17 118.68 115.53 2jc1 s LEU 384 Ca 0.09 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 2jc1 s LEU 384 Cb -0.02 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2jc1 s LEU 384 CO -0.02 0.28 0.22 0.28 0.23 0.00 0.00 176.35 177.35 2jc1 s THR 385 N -0.28 0.20 0.19 5.49 -1.32 -0.62 -4.77 115.64 114.54 2jc1 s THR 385 Ca 0.08 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.38 2jc1 s THR 385 Cb -0.12 -2.43 0.03 0.00 -1.51 0.00 0.00 72.50 68.47 2jc1 s THR 385 CO 0.02 0.00 0.55 0.00 -2.21 0.00 0.00 174.62 172.97 2jc1 s ARG 386 N -3.55 1.38 0.04 7.08 1.70 -1.26 -1.09 118.95 123.25 2jc1 s ARG 386 Ca 0.34 -0.81 -0.35 0.00 -0.47 0.00 0.00 55.73 54.45 2jc1 s ARG 386 Cb 0.02 0.54 -0.14 0.00 -0.57 0.00 0.00 34.95 34.80 2jc1 s ARG 386 CO 0.23 -0.59 1.66 -3.47 -1.08 0.00 0.00 175.30 172.04 2jc1 n ASP 387 N -0.35 2.97 -0.21 -2.89 -0.08 -1.26 -4.88 116.55 109.85 2jc1 n ASP 387 Ca -0.11 1.05 0.04 0.00 -1.51 0.00 0.00 54.79 54.27 2jc1 n ASP 387 Cb 0.63 -1.36 0.19 0.00 2.34 0.00 0.00 41.12 42.92 2jc1 n ASP 387 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2jc1 n PRO 388 N 4.48 1.27 0.20 -0.67 -0.04 -1.26 -4.41 135.00 134.56 2jc1 n PRO 388 Ca 0.20 -0.42 -0.15 0.00 -0.04 0.00 0.00 63.50 63.09 2jc1 n PRO 388 Cb 0.27 -1.17 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 2jc1 n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2jc1 h THR 389 N 0.73 0.52 -0.06 0.52 2.02 -1.95 -1.46 112.91 113.22 2jc1 h THR 389 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2jc1 h THR 389 Cb 0.16 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2jc1 h THR 389 CO 0.00 0.00 0.02 0.74 0.37 0.00 0.00 175.52 176.65 2jc1 h THR 390 N -0.53 1.17 -0.99 3.16 2.02 -1.96 -1.42 112.91 114.36 2jc1 h THR 390 Ca -0.02 -0.52 0.21 0.00 0.77 0.00 0.00 66.41 66.85 2jc1 h THR 390 Cb 0.46 1.41 -0.10 0.00 -1.74 0.00 0.00 68.15 68.18 2jc1 h THR 390 CO -0.00 0.15 0.62 -0.65 0.37 0.00 0.00 175.52 176.01 2jc1 h PRO 391 N -0.10 0.58 0.10 6.66 0.11 -1.82 -1.41 132.00 136.13 2jc1 h PRO 391 Ca 0.02 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.81 2jc1 h PRO 391 Cb 0.22 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.22 2jc1 h PRO 391 CO -0.00 0.38 -1.20 -0.07 -0.21 0.00 0.00 178.00 176.90 2jc1 h LEU 392 N 0.60 0.76 -0.64 2.35 3.38 -1.03 -0.94 115.31 119.79 2jc1 h LEU 392 Ca 0.57 -0.71 0.07 0.00 0.09 0.00 0.00 57.88 57.90 2jc1 h LEU 392 Cb 1.11 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2jc1 h LEU 392 CO -0.33 1.52 0.33 0.00 0.09 0.00 0.00 178.44 180.05 2jc1 h ALA 393 N 0.40 0.86 -0.40 1.53 0.00 -1.00 -0.53 119.26 120.12 2jc1 h ALA 393 Ca -0.17 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2jc1 h ALA 393 Cb 1.88 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2jc1 h ALA 393 CO 0.22 -0.02 -0.22 0.00 0.00 0.00 0.00 179.25 179.23 2jc1 h ARG 394 N 0.60 0.85 -0.97 0.00 3.08 -1.25 -2.01 114.38 114.68 2jc1 h ARG 394 Ca 0.30 -0.38 0.08 0.00 0.07 0.00 0.00 59.98 60.04 2jc1 h ARG 394 Cb 0.23 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 2jc1 h ARG 394 CO -0.21 1.02 0.63 0.00 -1.07 0.00 0.00 179.97 180.34 2jc1 h ALA 395 N 0.81 1.47 -0.67 0.04 0.00 -0.92 -0.66 119.26 119.33 2jc1 h ALA 395 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2jc1 h ALA 395 Cb 0.78 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2jc1 h ALA 395 CO 0.06 0.36 0.15 0.00 0.00 0.00 0.00 179.25 179.82 2jc1 h ALA 396 N 1.49 0.89 -0.21 0.00 0.00 -0.83 -0.66 119.26 119.95 2jc1 h ALA 396 Ca 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2jc1 h ALA 396 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jc1 h ALA 396 CO -0.18 0.62 0.10 2.35 0.00 0.00 0.00 179.25 182.13 2jc1 h TRP 397 N 1.01 0.30 0.00 0.00 2.91 -0.60 -2.75 115.95 116.82 2jc1 h TRP 397 Ca 0.21 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.21 2jc1 h TRP 397 Cb 0.39 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.95 2jc1 h TRP 397 CO 0.03 0.31 0.00 0.93 -1.03 0.00 0.00 178.44 178.68 2jc1 h GLU 398 N 0.20 0.00 -0.19 2.65 5.08 -1.00 -2.09 114.58 119.24 2jc1 h GLU 398 Ca 0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2jc1 h GLU 398 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2jc1 h GLU 398 CO -0.01 0.00 -0.33 1.15 -1.00 0.00 0.00 179.01 178.82 2jc1 h THR 399 N 0.00 1.28 -0.00 1.13 2.02 -0.80 -3.31 112.91 113.24 2jc1 h THR 399 Ca 0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 2jc1 h THR 399 Cb 0.49 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2jc1 h THR 399 CO 0.00 0.43 -0.57 0.00 0.37 0.00 0.00 175.52 175.75 2jc1 n ALA 400 N -2.48 3.60 -3.71 6.16 0.00 -0.93 -4.90 120.51 118.25 2jc1 n ALA 400 Ca -0.01 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 52.89 2jc1 n ALA 400 Cb 0.45 -0.48 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 2jc1 n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jc1 s ARG 401 N -2.15 0.03 0.19 0.00 1.81 -0.83 -4.81 118.95 113.19 2jc1 s ARG 401 Ca 0.06 0.41 -0.31 0.00 -1.72 0.00 0.00 55.73 54.18 2jc1 s ARG 401 Cb 0.10 -0.26 -0.09 0.00 -0.45 0.00 0.00 34.95 34.25 2jc1 s ARG 401 CO 0.51 -0.23 1.43 -1.01 -0.68 0.00 0.00 175.30 175.31 2jc1 s HIS 402 N 1.66 3.13 0.13 -0.53 3.76 -1.26 -4.28 115.29 117.90 2jc1 s HIS 402 Ca -0.03 0.96 0.08 0.00 -0.15 0.00 0.00 55.06 55.92 2jc1 s HIS 402 Cb -0.12 -3.77 -0.04 0.00 1.11 0.00 0.00 32.58 29.76 2jc1 s HIS 402 CO -0.05 -2.62 -0.19 0.95 -0.85 0.00 0.00 174.74 171.97 2jc1 s THR 403 N 0.53 1.74 0.35 1.30 -4.23 -1.26 -5.03 115.64 109.04 2jc1 s THR 403 Ca 0.62 -1.71 0.09 0.00 -1.18 0.00 0.00 61.69 59.51 2jc1 s THR 403 Cb -0.40 -1.68 0.32 0.00 1.34 0.00 0.00 72.50 72.08 2jc1 s THR 403 CO 0.37 -0.18 1.87 -0.65 -0.54 0.00 0.00 174.62 175.48 2jc1 h PRO 404 N 3.70 0.68 -5.04 3.99 0.11 -1.96 -3.39 132.00 130.08 2jc1 h PRO 404 Ca -0.44 -0.04 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 2jc1 h PRO 404 Cb 1.19 -0.15 -0.33 0.00 0.11 0.00 0.00 31.00 31.82 2jc1 h PRO 404 CO 0.45 0.45 -0.86 0.08 -0.21 0.00 0.00 178.00 177.91 2jc1 s VAL 405 N -5.69 1.73 -0.84 3.15 1.01 -1.26 -4.65 120.40 113.86 2jc1 s VAL 405 Ca -0.10 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 2jc1 s VAL 405 Cb 0.22 -1.52 0.14 0.00 0.00 0.00 0.00 36.38 35.22 2jc1 s VAL 405 CO 0.79 0.49 0.99 0.20 0.00 0.00 0.00 175.10 177.56 2jc1 s ASN 406 N 0.53 6.55 0.42 3.32 0.01 -0.68 -4.90 114.94 120.19 2jc1 s ASN 406 Ca -0.16 -1.99 0.12 0.00 -0.71 0.00 0.00 52.86 50.12 2jc1 s ASN 406 Cb -0.17 -2.35 0.90 0.00 0.41 0.00 0.00 41.25 40.04 2jc1 s ASN 406 CO 0.06 -1.01 1.97 0.77 -1.51 0.00 0.00 177.10 177.37 2jc1 h SER 407 N 8.75 0.14 -0.94 -1.22 4.64 -1.93 -2.40 113.55 120.58 2jc1 h SER 407 Ca 0.05 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.41 2jc1 h SER 407 Cb 1.04 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 63.03 2jc1 h SER 407 CO 1.04 0.28 0.61 4.11 -0.87 0.00 0.00 176.83 182.01 2jc1 h TRP 408 N 0.14 1.10 -0.20 4.77 5.08 -1.90 0.27 115.95 125.20 2jc1 h TRP 408 Ca 0.03 0.03 -0.13 0.00 1.08 0.00 0.00 58.89 59.90 2jc1 h TRP 408 Cb 0.31 -0.36 0.00 0.00 -3.00 0.00 0.00 29.16 26.11 2jc1 h TRP 408 CO 0.00 0.56 -0.36 1.25 -1.28 0.00 0.00 178.44 178.61 2jc1 h LEU 409 N 1.07 0.67 -0.73 0.11 5.85 -1.83 -0.91 115.31 119.52 2jc1 h LEU 409 Ca 0.41 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2jc1 h LEU 409 Cb 0.22 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2jc1 h LEU 409 CO -0.16 1.08 0.40 1.23 -0.34 0.00 0.00 178.44 180.65 2jc1 h GLY 410 N 0.28 1.10 1.11 3.75 0.00 -1.27 -1.73 103.07 106.31 2jc1 h GLY 410 Ca 0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 2jc1 h GLY 410 CO 0.08 0.48 0.15 3.43 0.00 0.00 0.00 176.54 180.68 2jc1 h ASN 411 N 1.01 1.04 -0.46 0.19 2.35 -0.44 -0.89 115.58 118.38 2jc1 h ASN 411 Ca 0.26 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2jc1 h ASN 411 Cb 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2jc1 h ASN 411 CO -0.04 1.01 0.27 0.40 -1.65 0.00 0.00 177.43 177.41 2jc1 h ILE 412 N 1.03 1.15 0.02 2.81 2.04 -0.97 -0.31 117.51 123.28 2jc1 h ILE 412 Ca 0.21 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2jc1 h ILE 412 Cb 0.39 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2jc1 h ILE 412 CO 0.01 0.16 -0.01 0.40 0.00 0.00 0.00 178.15 178.70 2jc1 h ILE 413 N 0.61 1.08 0.00 -0.67 2.04 -1.10 -1.16 117.51 118.31 2jc1 h ILE 413 Ca 0.16 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 2jc1 h ILE 413 Cb 0.02 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2jc1 h ILE 413 CO -0.03 0.08 -0.56 0.24 0.00 0.00 0.00 178.15 177.88 2jc1 h MET 414 N -0.15 0.00 -0.01 2.37 2.86 -1.18 -3.30 114.93 115.51 2jc1 h MET 414 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2jc1 h MET 414 Cb 0.14 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 2jc1 h MET 414 CO 0.00 0.38 -0.37 0.66 1.06 0.00 0.00 176.91 178.65 2jc1 n TYR 415 N -3.14 0.04 -0.34 -0.22 4.01 -0.13 -4.86 117.16 112.53 2jc1 n TYR 415 Ca 0.01 -1.38 0.21 0.00 -0.16 0.00 0.00 57.90 56.57 2jc1 n TYR 415 Cb 0.71 -0.24 0.43 0.00 -0.31 0.00 0.00 39.34 39.94 2jc1 n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jc1 h ALA 416 N 0.78 1.87 0.00 -0.72 0.00 -1.29 -0.69 119.26 119.22 2jc1 h ALA 416 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jc1 h ALA 416 Cb 1.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jc1 h ALA 416 CO 0.02 -0.42 0.00 -2.30 0.00 0.00 0.00 179.25 176.54 2jc1 n PRO 417 N -4.97 0.43 -2.88 0.00 -0.02 -1.26 -4.46 135.00 121.84 2jc1 n PRO 417 Ca 0.29 0.04 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 2jc1 n PRO 417 Cb 0.87 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.79 2jc1 n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jc1 s THR 418 N -2.48 4.55 0.22 3.45 -4.23 -0.26 -4.94 115.64 111.95 2jc1 s THR 418 Ca 0.26 1.18 -0.09 0.00 -1.18 0.00 0.00 61.69 61.86 2jc1 s THR 418 Cb 0.17 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.56 2jc1 s THR 418 CO 0.37 -0.34 1.87 0.25 -0.54 0.00 0.00 174.62 176.23 2jc1 h LEU 419 N 1.84 0.85 -0.21 4.79 5.85 -1.89 -2.32 115.31 124.21 2jc1 h LEU 419 Ca -0.48 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.01 2jc1 h LEU 419 Cb 1.18 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2jc1 h LEU 419 CO 0.63 0.59 -0.89 4.11 -0.34 0.00 0.00 178.44 182.54 2jc1 h TRP 420 N 1.00 0.68 -0.41 1.25 5.08 -1.92 -1.31 115.95 120.31 2jc1 h TRP 420 Ca 0.31 -0.35 -0.15 0.00 1.08 0.00 0.00 58.89 59.78 2jc1 h TRP 420 Cb -0.02 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 26.05 2jc1 h TRP 420 CO -0.03 1.15 -0.33 0.00 -1.28 0.00 0.00 178.44 177.95 2jc1 h ALA 421 N 0.74 0.62 0.02 0.11 0.00 -1.77 -1.90 119.26 117.09 2jc1 h ALA 421 Ca -0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jc1 h ALA 421 Cb 1.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2jc1 h ALA 421 CO 0.16 0.68 -0.01 0.00 0.00 0.00 0.00 179.25 180.07 2jc1 h ARG 422 N 0.79 -0.03 0.07 0.00 3.08 -1.44 -0.70 114.38 116.14 2jc1 h ARG 422 Ca 0.08 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.89 2jc1 h ARG 422 Cb 0.92 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2jc1 h ARG 422 CO 0.09 0.54 -1.11 0.52 -1.07 0.00 0.00 179.97 178.94 2jc1 h MET 423 N -0.63 0.16 0.00 0.04 2.86 -1.31 -3.35 114.93 112.71 2jc1 h MET 423 Ca -0.00 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2jc1 h MET 423 Cb 0.58 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2jc1 h MET 423 CO 0.01 1.11 -0.68 -0.89 1.06 0.00 0.00 176.91 177.52 2jc1 n ILE 424 N -3.48 1.17 0.14 -1.22 5.41 -0.73 -4.25 119.36 116.40 2jc1 n ILE 424 Ca -0.05 0.23 -0.14 0.00 1.00 0.00 0.00 62.75 63.80 2jc1 n ILE 424 Cb 0.97 -2.07 -0.07 0.00 -0.71 0.00 0.00 39.64 37.75 2jc1 n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jc1 h LEU 425 N -0.68 -0.27 -0.37 1.39 3.38 -1.36 0.07 115.31 117.48 2jc1 h LEU 425 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2jc1 h LEU 425 Cb 0.68 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2jc1 h LEU 425 CO 0.00 -0.18 0.20 0.24 0.09 0.00 0.00 178.44 178.78 2jc1 h MET 426 N -0.30 0.39 -0.15 1.13 2.86 -1.27 -1.21 114.93 116.39 2jc1 h MET 426 Ca -0.02 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2jc1 h MET 426 Cb 0.24 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2jc1 h MET 426 CO 0.04 0.26 0.05 1.15 1.06 0.00 0.00 176.91 179.47 2jc1 h THR 427 N 0.40 1.17 0.42 2.22 2.02 -1.65 -1.07 112.91 116.42 2jc1 h THR 427 Ca 0.15 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 2jc1 h THR 427 Cb 0.04 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2jc1 h THR 427 CO -0.09 0.16 -0.20 -0.74 0.37 0.00 0.00 175.52 175.02 2jc1 h HIS 428 N 0.07 -0.52 -0.10 3.16 6.17 -0.87 -2.45 115.15 120.61 2jc1 h HIS 428 Ca 0.05 -0.01 -0.18 0.00 0.71 0.00 0.00 60.37 60.94 2jc1 h HIS 428 Cb 0.20 0.17 -0.00 0.00 2.52 0.00 0.00 27.41 30.30 2jc1 h HIS 428 CO -0.01 -0.25 -0.70 0.74 0.71 0.00 0.00 177.93 178.43 2jc1 h PHE 429 N -0.69 0.58 -0.72 5.26 0.04 -1.26 -2.09 116.94 118.07 2jc1 h PHE 429 Ca -0.06 -0.25 -0.02 0.00 2.80 0.00 0.00 57.97 60.45 2jc1 h PHE 429 Cb 0.50 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 2jc1 h PHE 429 CO -0.02 1.00 0.37 0.74 -0.60 0.00 0.00 178.31 179.81 2jc1 h PHE 430 N 0.31 0.99 0.10 -0.55 -1.00 -1.25 0.17 116.94 115.70 2jc1 h PHE 430 Ca -0.02 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 2jc1 h PHE 430 Cb 1.26 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 40.51 2jc1 h PHE 430 CO 0.05 0.70 -0.05 1.03 -1.61 0.00 0.00 178.31 178.43 2jc1 h SER 431 N 1.01 -0.11 -0.72 2.17 0.87 -1.22 0.52 113.55 116.06 2jc1 h SER 431 Ca 0.25 -0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 2jc1 h SER 431 Cb 0.05 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 2jc1 h SER 431 CO -0.04 -0.03 0.40 0.40 -0.53 0.00 0.00 176.83 177.04 2jc1 h ILE 432 N -0.19 0.94 -0.40 2.23 2.04 -1.14 -1.82 117.51 119.17 2jc1 h ILE 432 Ca -0.01 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 2jc1 h ILE 432 Cb 0.15 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2jc1 h ILE 432 CO 0.02 0.13 -0.23 -0.07 0.00 0.00 0.00 178.15 178.00 2jc1 h LEU 433 N 0.72 0.82 -0.02 1.44 3.38 -0.72 -2.72 115.31 118.22 2jc1 h LEU 433 Ca 0.33 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2jc1 h LEU 433 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jc1 h LEU 433 CO -0.21 1.03 -0.03 -0.07 0.09 0.00 0.00 178.44 179.24 2jc1 h LEU 434 N 0.70 -0.09 -1.80 1.67 3.38 -0.65 -0.40 115.31 118.11 2jc1 h LEU 434 Ca 0.09 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.20 2jc1 h LEU 434 Cb 0.76 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2jc1 h LEU 434 CO 0.06 -0.05 0.37 0.00 0.09 0.00 0.00 178.44 178.92 2jc1 h ALA 435 N 0.96 2.22 -0.14 1.53 0.00 -1.16 -1.78 119.26 120.89 2jc1 h ALA 435 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jc1 h ALA 435 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jc1 h ALA 435 CO -0.05 -0.36 0.00 1.04 0.00 0.00 0.00 179.25 179.89 2jc1 n GLN 436 N -4.44 2.13 -4.14 0.00 1.13 -1.04 -4.97 117.38 106.05 2jc1 n GLN 436 Ca 0.09 -1.92 -0.32 0.00 -1.94 0.00 0.00 57.00 52.91 2jc1 n GLN 436 Cb 0.46 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 2jc1 n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2jc1 n GLU 437 N 1.26 -3.06 -0.56 -1.09 1.02 -0.54 -4.89 120.64 112.76 2jc1 n GLU 437 Ca 0.14 0.36 0.06 0.00 -0.02 0.00 0.00 57.16 57.71 2jc1 n GLU 437 Cb 0.55 -4.79 0.27 0.00 -0.02 0.00 0.00 31.44 27.45 2jc1 n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jc1 n GLN 438 N -4.41 3.03 -0.18 3.49 6.02 -0.27 -4.68 117.38 120.38 2jc1 n GLN 438 Ca -0.09 -2.93 0.11 0.00 -0.01 0.00 0.00 57.00 54.09 2jc1 n GLN 438 Cb 0.58 -1.91 0.43 0.00 1.02 0.00 0.00 30.24 30.36 2jc1 n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2jc1 h LEU 439 N 1.96 0.53 0.00 1.08 3.38 -1.91 -2.03 115.31 118.32 2jc1 h LEU 439 Ca 0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jc1 h LEU 439 Cb 1.58 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2jc1 h LEU 439 CO 0.30 0.30 -0.17 -0.62 0.09 0.00 0.00 178.44 178.35 2jc1 n GLU 440 N -4.50 0.03 -2.44 1.13 1.02 -1.26 -3.11 120.64 111.51 2jc1 n GLU 440 Ca 0.13 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 2jc1 n GLU 440 Cb 0.40 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 2jc1 n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2jc1 s LYS 441 N -3.01 4.08 0.27 3.49 2.20 -0.77 -4.85 119.74 121.15 2jc1 s LYS 441 Ca 0.13 1.45 -0.30 0.00 -0.36 0.00 0.00 55.97 56.88 2jc1 s LYS 441 Cb 0.18 -3.81 -0.11 0.00 -1.51 0.00 0.00 37.83 32.58 2jc1 s LYS 441 CO 0.59 -0.90 1.54 0.00 -0.36 0.00 0.00 175.35 176.22 2jc1 s ALA 442 N 3.90 3.71 0.05 3.13 0.00 -1.26 -4.37 121.76 126.92 2jc1 s ALA 442 Ca 0.55 1.48 0.07 0.00 0.00 0.00 0.00 51.96 54.06 2jc1 s ALA 442 Cb -0.19 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 2jc1 s ALA 442 CO 0.18 -0.89 -0.21 -0.51 0.00 0.00 0.00 175.76 174.34 2jc1 s LEU 443 N -0.33 2.17 0.13 0.00 1.43 0.11 -4.82 118.68 117.37 2jc1 s LEU 443 Ca 0.62 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.89 2jc1 s LEU 443 Cb -0.46 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 44.73 2jc1 s LEU 443 CO 0.45 0.16 1.00 -1.81 0.23 0.00 0.00 176.35 176.37 2jc1 s ASP 444 N -1.22 7.45 0.24 2.29 1.01 -1.26 -0.98 116.67 124.19 2jc1 s ASP 444 Ca 0.07 1.88 -0.06 0.00 0.71 0.00 0.00 52.55 55.15 2jc1 s ASP 444 Cb -0.09 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2jc1 s ASP 444 CO 0.02 -0.10 0.31 0.00 0.21 0.00 0.00 175.17 175.62 2jc1 s GLN 446 N -3.99 2.60 -0.09 0.00 -0.21 -1.26 -0.58 119.66 116.13 2jc1 s GLN 446 Ca 0.31 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 54.85 2jc1 s GLN 446 Cb 0.03 -2.24 0.02 0.00 1.00 0.00 0.00 33.01 31.82 2jc1 s GLN 446 CO 0.12 0.42 -0.07 0.42 -2.12 0.00 0.00 175.29 174.06 2jc1 s ILE 447 N -0.25 0.91 -1.58 1.08 1.01 -0.57 -4.74 121.20 117.06 2jc1 s ILE 447 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 2jc1 s ILE 447 Cb -0.13 -0.93 0.07 0.00 0.01 0.00 0.00 42.46 41.48 2jc1 s ILE 447 CO 0.03 0.34 0.39 -1.22 0.00 0.00 0.00 174.94 174.48 2jc1 n TYR 448 N 4.66 -1.48 -0.16 3.97 4.01 -1.26 -1.71 117.16 125.20 2jc1 n TYR 448 Ca -0.15 0.71 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 2jc1 n TYR 448 Cb 0.50 -3.03 0.00 0.00 -0.31 0.00 0.00 39.34 36.51 2jc1 n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jc1 n GLY 449 N -1.92 1.43 3.86 2.72 0.00 -1.26 -3.30 105.19 106.72 2jc1 n GLY 449 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2jc1 n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jc1 s ALA 450 N -2.21 3.48 -0.16 4.61 0.00 -0.69 -4.49 121.76 122.30 2jc1 s ALA 450 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 2jc1 s ALA 450 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 2jc1 s ALA 450 CO 0.00 0.45 0.36 0.00 0.00 0.00 0.00 175.76 176.57 2jc1 s TYR 452 N 0.66 2.00 -0.28 0.00 1.51 0.26 -0.02 117.35 121.48 2jc1 s TYR 452 Ca 0.20 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.80 2jc1 s TYR 452 Cb -0.14 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 2jc1 s TYR 452 CO 0.06 0.14 0.06 0.45 -1.11 0.00 0.00 175.55 175.16 2jc1 s SER 453 N -1.39 5.02 -0.03 2.29 0.15 -1.26 -0.72 113.70 117.75 2jc1 s SER 453 Ca 0.09 -0.64 0.02 0.00 0.70 0.00 0.00 55.95 56.13 2jc1 s SER 453 Cb -0.09 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.36 2jc1 s SER 453 CO 0.03 -0.16 -0.09 -0.63 1.20 0.00 0.00 173.24 173.58 2jc1 s ILE 454 N 1.50 0.84 -0.07 6.45 1.01 -0.15 -4.83 121.20 125.94 2jc1 s ILE 454 Ca 0.03 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.11 2jc1 s ILE 454 Cb -0.17 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 2jc1 s ILE 454 CO 0.02 0.26 0.56 -1.61 0.00 0.00 0.00 174.94 174.17 2jc1 s GLU 455 N 0.28 4.34 0.35 2.79 2.02 -1.26 0.08 118.70 127.31 2jc1 s GLU 455 Ca -0.05 0.62 0.16 0.00 0.02 0.00 0.00 54.97 55.72 2jc1 s GLU 455 Cb -0.10 -3.41 1.11 0.00 0.10 0.00 0.00 34.13 31.84 2jc1 s GLU 455 CO 0.01 0.20 1.67 -1.35 0.02 0.00 0.00 175.26 175.81 2jc1 h PRO 456 N 6.40 0.31 0.00 0.39 0.11 -1.76 0.98 132.00 138.43 2jc1 h PRO 456 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jc1 h PRO 456 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jc1 h PRO 456 CO 0.74 0.20 0.00 -0.07 -0.21 0.00 0.00 178.00 178.66 2jc1 h LEU 457 N 0.32 0.00 -0.47 2.35 3.38 -1.92 -1.44 115.31 117.53 2jc1 h LEU 457 Ca 0.73 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.70 2jc1 h LEU 457 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2jc1 h LEU 457 CO -0.57 0.00 -0.12 0.47 0.09 0.00 0.00 178.44 178.31 2jc1 n ASP 458 N -2.57 0.85 -0.24 -0.43 8.00 0.34 -4.48 116.55 118.01 2jc1 n ASP 458 Ca -0.02 -0.92 -0.01 0.00 0.71 0.00 0.00 54.79 54.55 2jc1 n ASP 458 Cb 0.08 0.02 0.10 0.00 -0.02 0.00 0.00 41.12 41.30 2jc1 n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2jc1 h LEU 459 N 1.14 0.62 -0.43 0.64 3.38 -1.38 -2.99 115.31 116.28 2jc1 h LEU 459 Ca 0.00 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2jc1 h LEU 459 Cb 0.41 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 2jc1 h LEU 459 CO 0.00 0.40 -0.10 -0.65 0.09 0.00 0.00 178.44 178.19 2jc1 h PRO 460 N 0.75 0.01 -0.33 1.13 0.11 -1.83 -0.94 132.00 130.91 2jc1 h PRO 460 Ca 0.31 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.30 2jc1 h PRO 460 Cb 0.16 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2jc1 h PRO 460 CO -0.17 0.01 -0.26 1.96 -0.21 0.00 0.00 178.00 179.33 2jc1 h GLN 461 N 0.01 0.66 -0.30 1.05 7.50 -1.90 -1.98 115.11 120.15 2jc1 h GLN 461 Ca 0.21 -0.27 -0.02 0.00 0.50 0.00 0.00 58.65 59.07 2jc1 h GLN 461 Cb 0.32 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 2jc1 h GLN 461 CO -0.43 0.85 0.13 0.82 -1.50 0.00 0.00 178.83 178.70 2jc1 h ILE 462 N 0.57 1.17 -0.24 2.54 2.04 -1.27 -2.13 117.51 120.20 2jc1 h ILE 462 Ca 0.08 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 2jc1 h ILE 462 Cb 0.74 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2jc1 h ILE 462 CO 0.06 0.18 0.07 0.40 0.00 0.00 0.00 178.15 178.86 2jc1 h ILE 463 N 0.35 1.20 -0.67 -0.67 2.04 -1.06 -1.10 117.51 117.60 2jc1 h ILE 463 Ca 0.10 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.41 2jc1 h ILE 463 Cb 0.16 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 2jc1 h ILE 463 CO -0.01 0.21 0.30 -0.08 0.00 0.00 0.00 178.15 178.57 2jc1 h GLU 464 N 0.22 0.49 -0.08 2.37 4.81 -1.32 0.98 114.58 122.05 2jc1 h GLU 464 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2jc1 h GLU 464 Cb 0.26 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2jc1 h GLU 464 CO -0.00 0.33 0.01 0.00 -0.73 0.00 0.00 179.01 178.61 2jc1 h ARG 465 N 0.51 0.14 0.00 1.92 2.47 -1.13 -0.24 114.38 118.05 2jc1 h ARG 465 Ca 0.33 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.96 2jc1 h ARG 465 Cb 0.38 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 2jc1 h ARG 465 CO -0.29 0.38 -0.23 -0.07 0.56 0.00 0.00 179.97 180.32 2jc1 h LEU 466 N -0.12 0.00 0.00 3.04 3.38 -0.90 -3.38 115.31 117.33 2jc1 h LEU 466 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jc1 h LEU 466 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2jc1 h LEU 466 CO 0.00 0.23 -0.01 1.41 0.09 0.00 0.00 178.44 180.16 2jc1 n HIS 467 N -3.22 0.00 0.00 1.13 8.25 0.31 -1.85 115.22 119.84 2jc1 n HIS 467 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2jc1 n HIS 467 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2jc1 n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jc1 n GLY 468 N 0.56 -1.32 0.31 -1.41 0.00 -0.10 -4.48 105.19 98.76 2jc1 n GLY 468 Ca 0.00 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.60 2jc1 n GLY 468 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jc1 h LEU 469 N 0.00 0.10 -2.28 0.99 5.85 -1.89 -2.67 115.31 115.42 2jc1 h LEU 469 Ca 0.00 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2jc1 h LEU 469 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2jc1 h LEU 469 CO 0.00 0.06 0.20 0.77 -0.34 0.00 0.00 178.44 179.14 2jc1 h SER 470 N 0.11 0.00 -0.61 1.25 4.64 -1.95 -2.31 113.55 114.68 2jc1 h SER 470 Ca 0.13 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.62 2jc1 h SER 470 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2jc1 h SER 470 CO -0.01 0.00 0.51 0.00 -0.87 0.00 0.00 176.83 176.45 2jc1 h ALA 471 N 1.74 2.46 -0.01 5.18 0.00 -1.69 0.11 119.26 127.04 2jc1 h ALA 471 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jc1 h ALA 471 Cb 0.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jc1 h ALA 471 CO -0.00 -0.82 -0.10 1.19 0.00 0.00 0.00 179.25 179.52 2jc1 n PHE 472 N -4.04 0.00 -1.21 0.00 3.72 -0.87 -4.20 117.46 110.86 2jc1 n PHE 472 Ca 0.12 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.53 2jc1 n PHE 472 Cb 0.74 -0.05 0.02 0.00 -0.94 0.00 0.00 39.48 39.25 2jc1 n PHE 472 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2jc1 n SER 473 N -0.15 0.64 -4.77 4.37 3.41 0.33 -4.42 113.62 113.03 2jc1 n SER 473 Ca 0.16 -1.80 -0.38 0.00 -0.26 0.00 0.00 58.87 56.59 2jc1 n SER 473 Cb 0.35 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 2jc1 n SER 473 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jc1 s LEU 474 N -0.57 4.13 0.00 1.04 1.43 -0.85 -3.61 118.68 120.25 2jc1 s LEU 474 Ca 0.05 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 55.42 2jc1 s LEU 474 Cb 0.04 -4.08 0.06 0.00 0.03 0.00 0.00 46.19 42.24 2jc1 s LEU 474 CO 0.00 -0.83 0.74 0.00 0.23 0.00 0.00 176.35 176.50 2jc1 n HIS 475 N -0.14 -2.04 -3.83 0.29 1.44 0.05 -4.95 115.22 106.05 2jc1 n HIS 475 Ca 0.05 -1.55 -0.37 0.00 -2.01 0.00 0.00 57.72 53.84 2jc1 n HIS 475 Cb 0.46 0.77 0.03 0.00 0.12 0.00 0.00 29.99 31.38 2jc1 n HIS 475 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2jc1 n SER 476 N -1.43 -4.92 -4.70 4.39 7.64 -1.26 -0.43 113.62 112.91 2jc1 n SER 476 Ca -0.07 -1.11 -0.30 0.00 1.01 0.00 0.00 58.87 58.41 2jc1 n SER 476 Cb 0.53 -2.68 0.15 0.00 -1.01 0.00 0.00 64.21 61.20 2jc1 n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2jc1 s TYR 477 N -3.45 2.23 0.51 1.43 2.02 -1.26 -4.05 117.35 114.78 2jc1 s TYR 477 Ca 0.45 1.22 -0.19 0.00 -0.37 0.00 0.00 57.07 58.18 2jc1 s TYR 477 Cb -0.20 -3.18 -0.07 0.00 -0.40 0.00 0.00 41.96 38.11 2jc1 s TYR 477 CO 0.90 -2.54 1.05 -1.54 -1.57 0.00 0.00 175.55 171.86 2jc1 s SER 478 N -3.38 6.18 0.25 2.29 1.04 -1.23 -4.86 113.70 113.98 2jc1 s SER 478 Ca 0.64 1.94 -0.04 0.00 0.48 0.00 0.00 55.95 58.96 2jc1 s SER 478 Cb -0.18 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.75 2jc1 s SER 478 CO 0.57 -0.89 1.86 -0.65 0.98 0.00 0.00 173.24 175.10 2jc1 h PRO 479 N 1.33 0.98 -0.79 4.02 0.11 -1.96 -0.61 132.00 135.09 2jc1 h PRO 479 Ca -0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 2jc1 h PRO 479 Cb 1.22 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 2jc1 h PRO 479 CO 0.58 0.65 0.43 0.78 -0.21 0.00 0.00 178.00 180.24 2jc1 h GLY 480 N 1.01 1.17 0.56 -0.55 0.00 -1.98 0.19 103.07 103.47 2jc1 h GLY 480 Ca 0.40 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 2jc1 h GLY 480 CO -0.18 0.51 -0.00 -2.09 0.00 0.00 0.00 176.54 174.77 2jc1 h GLU 481 N 1.09 -0.01 -0.63 4.80 4.57 -1.81 -0.80 114.58 121.79 2jc1 h GLU 481 Ca 0.28 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.58 2jc1 h GLU 481 Cb 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.53 2jc1 h GLU 481 CO -0.04 0.43 0.13 0.82 -1.18 0.00 0.00 179.01 179.17 2jc1 h ILE 482 N -0.45 0.61 -0.72 2.32 2.04 -1.06 -1.59 117.51 118.65 2jc1 h ILE 482 Ca -0.00 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 2jc1 h ILE 482 Cb 0.45 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2jc1 h ILE 482 CO 0.00 0.05 0.20 0.78 0.00 0.00 0.00 178.15 179.18 2jc1 h ASN 483 N 0.26 1.07 -0.30 1.72 2.35 -0.50 -0.22 115.58 119.95 2jc1 h ASN 483 Ca 0.33 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2jc1 h ASN 483 Cb 0.51 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2jc1 h ASN 483 CO -0.43 1.01 0.12 -0.09 -1.65 0.00 0.00 177.43 176.40 2jc1 h ARG 484 N 1.09 0.45 0.18 0.81 2.43 -0.68 -1.67 114.38 116.99 2jc1 h ARG 484 Ca 0.23 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2jc1 h ARG 484 Cb 0.34 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2jc1 h ARG 484 CO -0.00 0.46 -0.09 0.28 -1.51 0.00 0.00 179.97 179.11 2jc1 h VAL 485 N 0.34 0.85 -0.95 0.20 2.07 -1.06 -1.53 116.25 116.17 2jc1 h VAL 485 Ca 0.10 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.62 2jc1 h VAL 485 Cb 0.17 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 2jc1 h VAL 485 CO -0.01 0.02 0.59 0.00 0.02 0.00 0.00 177.57 178.19 2jc1 h ALA 486 N 0.53 1.40 -0.00 1.67 0.00 -0.95 -0.91 119.26 121.00 2jc1 h ALA 486 Ca -0.02 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2jc1 h ALA 486 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jc1 h ALA 486 CO 0.04 0.21 -0.88 0.66 0.00 0.00 0.00 179.25 179.28 2jc1 h SER 487 N 0.95 0.33 -0.72 0.00 4.64 -1.12 -2.32 113.55 115.31 2jc1 h SER 487 Ca 0.46 -0.27 0.04 0.00 -0.47 0.00 0.00 61.79 61.56 2jc1 h SER 487 Cb 0.42 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 2jc1 h SER 487 CO -0.25 1.06 0.44 0.00 -0.87 0.00 0.00 176.83 177.21 2jc1 h LEU 489 N 0.84 0.96 -0.31 0.00 3.38 -0.91 -1.51 115.31 117.76 2jc1 h LEU 489 Ca 0.30 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2jc1 h LEU 489 Cb 0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2jc1 h LEU 489 CO -0.14 0.99 0.06 0.03 0.09 0.00 0.00 178.44 179.47 2jc1 h ARG 490 N 0.92 0.50 -0.62 1.13 3.08 -1.27 0.16 114.38 118.29 2jc1 h ARG 490 Ca 0.18 -0.13 0.11 0.00 0.07 0.00 0.00 59.98 60.21 2jc1 h ARG 490 Cb 0.48 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 2jc1 h ARG 490 CO 0.02 0.59 0.18 -0.22 -1.07 0.00 0.00 179.97 179.47 2jc1 h LYS 491 N 0.33 0.31 0.00 0.04 3.64 -0.90 -2.83 116.57 117.15 2jc1 h LYS 491 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2jc1 h LYS 491 Cb 0.33 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2jc1 h LYS 491 CO 0.00 0.21 -0.62 1.28 -2.27 0.00 0.00 179.45 178.05 2jc1 n LEU 492 N -5.08 0.64 -1.23 5.20 4.77 -0.59 -4.90 117.00 115.81 2jc1 n LEU 492 Ca 0.10 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.18 2jc1 n LEU 492 Cb 0.32 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2jc1 n LEU 492 CO 0.18 -0.02 0.02 0.61 -1.33 0.00 0.00 177.39 176.86 2jc1 n GLY 493 N 1.37 0.33 3.79 -0.72 0.00 -0.14 -1.58 105.19 108.23 2jc1 n GLY 493 Ca 0.04 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2jc1 n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jc1 s VAL 494 N -2.82 4.55 0.43 1.61 1.01 -0.14 -0.91 120.40 124.12 2jc1 s VAL 494 Ca 0.12 1.48 -0.25 0.00 0.00 0.00 0.00 61.98 63.33 2jc1 s VAL 494 Cb -0.05 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 2jc1 s VAL 494 CO 0.15 0.53 1.24 -2.65 0.00 0.00 0.00 175.10 174.37 2jc1 n PRO 495 N 1.70 1.82 -1.60 2.72 -0.02 -1.26 -4.54 135.00 133.82 2jc1 n PRO 495 Ca -0.08 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 2jc1 n PRO 495 Cb 0.50 -2.35 0.07 0.00 -0.02 0.00 0.00 33.50 31.70 2jc1 n PRO 495 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jc1 n PRO 496 N -0.03 0.90 -0.33 0.52 -0.04 -1.26 -4.80 135.00 129.96 2jc1 n PRO 496 Ca 0.07 0.36 0.28 0.00 -0.04 0.00 0.00 63.50 64.18 2jc1 n PRO 496 Cb 0.40 -2.41 0.61 0.00 -0.04 0.00 0.00 33.50 32.06 2jc1 n PRO 496 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2jc1 h LEU 497 N 0.27 0.26 -1.68 1.53 3.38 -1.98 0.83 115.31 117.92 2jc1 h LEU 497 Ca -0.50 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2jc1 h LEU 497 Cb 1.34 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2jc1 h LEU 497 CO 0.51 0.03 0.11 0.08 0.09 0.00 0.00 178.44 179.27 2jc1 h ARG 498 N 0.22 0.32 -0.36 1.13 0.11 -2.00 -1.22 114.38 112.58 2jc1 h ARG 498 Ca 0.60 -0.03 -0.07 0.00 0.10 0.00 0.00 59.98 60.58 2jc1 h ARG 498 Cb 1.86 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.86 2jc1 h ARG 498 CO -0.20 0.26 -0.03 0.28 0.10 0.00 0.00 179.97 180.38 2jc1 h VAL 499 N 0.33 1.27 -0.76 0.08 2.07 -1.16 -2.98 116.25 115.10 2jc1 h VAL 499 Ca 0.09 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2jc1 h VAL 499 Cb 0.04 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2jc1 h VAL 499 CO -0.01 0.35 0.44 -0.50 0.02 0.00 0.00 177.57 177.86 2jc1 h TRP 500 N 0.47 1.01 -0.37 1.57 4.06 -1.39 -0.87 115.95 120.43 2jc1 h TRP 500 Ca 0.10 -0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.07 2jc1 h TRP 500 Cb 0.51 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 2jc1 h TRP 500 CO 0.04 0.69 0.18 -0.09 -3.56 0.00 0.00 178.44 175.71 2jc1 h ARG 501 N 1.05 0.37 -0.38 0.49 2.43 -1.15 0.65 114.38 117.84 2jc1 h ARG 501 Ca 0.27 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 2jc1 h ARG 501 Cb -0.01 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2jc1 h ARG 501 CO -0.05 0.24 0.20 1.25 -1.51 0.00 0.00 179.97 180.11 2jc1 h HIS 502 N 0.38 0.38 -0.74 2.20 2.76 -1.29 -2.73 115.15 116.11 2jc1 h HIS 502 Ca 0.16 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.28 2jc1 h HIS 502 Cb 0.07 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 2jc1 h HIS 502 CO -0.10 0.21 0.24 0.00 -1.30 0.00 0.00 177.93 176.98 2jc1 h ARG 503 N 0.41 1.14 -0.38 5.26 3.08 -0.82 -2.89 114.38 120.19 2jc1 h ARG 503 Ca 0.15 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 2jc1 h ARG 503 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2jc1 h ARG 503 CO -0.09 0.97 0.06 0.00 -1.07 0.00 0.00 179.97 179.84 2jc1 h ALA 504 N 1.15 1.40 -0.31 0.04 0.00 -0.59 -1.20 119.26 119.75 2jc1 h ALA 504 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jc1 h ALA 504 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jc1 h ALA 504 CO -0.01 0.43 0.19 0.00 0.00 0.00 0.00 179.25 179.86 2jc1 h ARG 505 N 0.55 0.42 0.48 0.00 3.08 -1.27 0.46 114.38 118.10 2jc1 h ARG 505 Ca 0.12 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2jc1 h ARG 505 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2jc1 h ARG 505 CO 0.00 0.31 -0.45 1.03 -1.07 0.00 0.00 179.97 179.79 2jc1 h SER 506 N 0.40 -1.23 -0.69 7.04 0.87 -1.41 -0.75 113.55 117.78 2jc1 h SER 506 Ca 0.11 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.91 2jc1 h SER 506 Cb -0.00 0.40 -0.13 0.00 -0.44 0.00 0.00 62.40 62.22 2jc1 h SER 506 CO -0.02 -0.61 -0.16 0.58 -0.53 0.00 0.00 176.83 176.09 2jc1 h VAL 507 N -0.93 0.31 -0.12 2.23 2.07 -1.07 -1.16 116.25 117.59 2jc1 h VAL 507 Ca -0.06 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2jc1 h VAL 507 Cb 0.79 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2jc1 h VAL 507 CO -0.04 0.00 -0.12 -0.09 0.02 0.00 0.00 177.57 177.35 2jc1 h ARG 508 N 0.00 -0.14 -0.48 1.57 2.43 0.09 -1.23 114.38 116.63 2jc1 h ARG 508 Ca 0.33 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.55 2jc1 h ARG 508 Cb 0.51 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 2jc1 h ARG 508 CO -0.71 -0.09 0.25 0.00 -1.51 0.00 0.00 179.97 177.91 2jc1 h ALA 509 N 0.93 0.61 -0.71 2.80 0.00 -0.53 -1.45 119.26 120.91 2jc1 h ALA 509 Ca 0.08 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2jc1 h ALA 509 Cb 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2jc1 h ALA 509 CO -0.20 -0.09 0.37 0.00 0.00 0.00 0.00 179.25 179.33 2jc1 h ARG 510 N 0.50 0.63 -0.30 0.00 3.08 -1.00 -2.87 114.38 114.41 2jc1 h ARG 510 Ca 0.21 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 2jc1 h ARG 510 Cb 0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2jc1 h ARG 510 CO -0.14 0.41 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.98 2jc1 h LEU 511 N 0.65 0.64 -1.03 3.04 3.38 -0.62 -3.20 115.31 118.16 2jc1 h LEU 511 Ca 0.34 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2jc1 h LEU 511 Cb 0.32 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 2jc1 h LEU 511 CO -0.24 0.89 0.63 -0.07 0.09 0.00 0.00 178.44 179.74 2jc1 h LEU 512 N 0.38 0.95 -2.45 1.67 3.38 -1.08 -1.96 115.31 116.20 2jc1 h LEU 512 Ca 0.07 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2jc1 h LEU 512 Cb 0.64 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jc1 h LEU 512 CO 0.04 0.54 0.08 0.28 0.09 0.00 0.00 178.44 179.47 2jc1 h SER 513 N 1.04 0.00 0.36 -0.43 0.02 -1.51 -2.59 113.55 110.44 2jc1 h SER 513 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2jc1 h SER 513 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2jc1 h SER 513 CO -0.23 0.00 -0.31 0.00 -1.14 0.00 0.00 176.83 175.16 2jc1 n GLN 514 N -3.67 0.53 0.00 3.45 6.02 -0.75 -5.03 117.38 117.93 2jc1 n GLN 514 Ca -0.01 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 2jc1 n GLN 514 Cb 0.17 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.94 2jc1 n GLN 514 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jc1 n GLY 515 N 1.39 -0.67 7.00 1.08 0.00 -0.98 -4.81 105.19 108.21 2jc1 n GLY 515 Ca 0.10 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2jc1 n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jc1 n GLY 516 N 0.00 1.50 0.30 -0.02 0.00 -1.26 -1.80 105.19 103.91 2jc1 n GLY 516 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 2jc1 n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jc1 h ARG 517 N 0.00 0.88 -0.62 1.61 3.08 -1.93 -1.29 114.38 116.11 2jc1 h ARG 517 Ca 0.00 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.09 2jc1 h ARG 517 Cb 0.00 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 29.78 2jc1 h ARG 517 CO 0.00 0.59 0.25 0.00 -1.07 0.00 0.00 179.97 179.74 2jc1 h ALA 518 N 1.37 0.81 -0.26 0.04 0.00 -1.79 -0.68 119.26 118.75 2jc1 h ALA 518 Ca 0.34 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 2jc1 h ALA 518 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jc1 h ALA 518 CO -0.15 -0.16 -0.42 0.00 0.00 0.00 0.00 179.25 178.52 2jc1 h ALA 519 N 1.41 0.80 -0.81 0.00 0.00 -0.46 -1.19 119.26 119.00 2jc1 h ALA 519 Ca 0.31 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2jc1 h ALA 519 Cb 0.36 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2jc1 h ALA 519 CO -0.29 0.65 0.49 1.15 0.00 0.00 0.00 179.25 181.25 2jc1 h THR 520 N 0.50 1.00 -0.47 0.00 2.02 -0.50 0.13 112.91 115.60 2jc1 h THR 520 Ca 0.04 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 2jc1 h THR 520 Cb 0.93 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2jc1 h THR 520 CO 0.08 0.16 0.21 0.00 0.37 0.00 0.00 175.52 176.34 2jc1 h GLY 522 N 0.62 0.11 0.93 0.00 0.00 -0.72 -1.10 103.07 102.91 2jc1 h GLY 522 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2jc1 h GLY 522 CO -0.02 0.02 -0.08 1.70 0.00 0.00 0.00 176.54 178.17 2jc1 h LYS 523 N 0.09 -0.21 0.02 4.80 3.64 -0.60 -2.98 116.57 121.33 2jc1 h LYS 523 Ca 0.04 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2jc1 h LYS 523 Cb 0.01 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2jc1 h LYS 523 CO -0.03 -0.08 -0.72 1.88 -2.27 0.00 0.00 179.45 178.23 2jc1 h TYR 524 N -0.29 0.07 0.00 1.91 -1.99 -1.26 -3.11 116.97 112.29 2jc1 h TYR 524 Ca -0.02 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.60 2jc1 h TYR 524 Cb 0.23 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 2jc1 h TYR 524 CO -0.04 1.28 -0.27 -0.07 -0.00 0.00 0.00 178.16 179.06 2jc1 h LEU 525 N -0.90 0.00 -2.98 3.88 3.38 -1.36 -3.29 115.31 114.04 2jc1 h LEU 525 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2jc1 h LEU 525 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2jc1 h LEU 525 CO -0.08 0.27 -0.01 0.49 0.09 0.00 0.00 178.44 179.20 2jc1 n PHE 526 N -4.13 0.00 0.28 1.13 3.72 -1.12 -4.65 117.46 112.68 2jc1 n PHE 526 Ca -0.02 -0.95 0.12 0.00 -0.05 0.00 0.00 57.45 56.55 2jc1 n PHE 526 Cb 0.32 -0.14 0.79 0.00 -0.94 0.00 0.00 39.48 39.51 2jc1 n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2jc1 h ASN 527 N 0.00 0.00 0.45 4.37 -0.00 -1.61 -1.91 115.58 116.87 2jc1 h ASN 527 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2jc1 h ASN 527 Cb 0.98 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.30 2jc1 h ASN 527 CO 0.00 0.03 -0.01 4.11 -0.00 0.00 0.00 177.43 181.56 2jc1 h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.83 -3.04 115.95 116.84 2jc1 h TRP 528 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2jc1 h TRP 528 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 2jc1 h TRP 528 CO 0.00 0.01 -0.53 0.00 -1.28 0.00 0.00 178.44 176.64 2jc1 h ALA 529 N 1.99 0.69 -2.69 0.11 0.00 -1.71 -3.45 119.26 114.19 2jc1 h ALA 529 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2jc1 h ALA 529 Cb 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2jc1 h ALA 529 CO 0.00 0.00 -0.30 0.14 0.00 0.00 0.00 179.25 179.09 2jc1 s VAL 530 N -3.21 5.18 0.15 0.00 -7.23 -1.15 -4.77 120.40 109.37 2jc1 s VAL 530 Ca 0.05 0.31 -0.09 0.00 -1.81 0.00 0.00 61.98 60.45 2jc1 s VAL 530 Cb 0.11 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 33.36 2jc1 s VAL 530 CO 0.71 0.29 1.45 0.07 -0.31 0.00 0.00 175.10 177.32 2jc1 h LYS 531 N 3.73 0.78 -4.22 4.82 2.10 -1.88 -3.38 116.57 118.52 2jc1 h LYS 531 Ca -0.49 -0.48 -0.74 0.00 -2.00 0.00 0.00 60.65 56.94 2jc1 h LYS 531 Cb 1.19 0.05 -0.28 0.00 -0.90 0.00 0.00 32.23 32.30 2jc1 h LYS 531 CO 0.67 1.11 -0.33 0.99 -2.00 0.00 0.00 179.45 179.89 2jc1 s THR 532 N -4.12 4.57 0.37 0.07 2.01 -1.26 -5.07 115.64 112.21 2jc1 s THR 532 Ca -0.10 -1.69 -0.27 0.00 0.31 0.00 0.00 61.69 59.94 2jc1 s THR 532 Cb 0.11 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 2jc1 s THR 532 CO 0.87 -0.81 1.34 -0.54 -0.69 0.00 0.00 174.62 174.80 2jc1 s LYS 533 N 1.45 4.13 0.38 4.92 3.01 -1.26 -5.00 119.74 127.37 2jc1 s LYS 533 Ca 0.05 2.27 -0.25 0.00 -1.01 0.00 0.00 55.97 57.02 2jc1 s LYS 533 Cb -0.28 -2.91 -0.09 0.00 -1.01 0.00 0.00 37.83 33.54 2jc1 s LYS 533 CO 0.01 -0.39 1.09 -0.51 0.51 0.00 0.00 175.35 176.05 2jc1 s LEU 534 N -2.13 4.23 -0.10 3.17 1.43 -1.26 -4.98 118.68 119.03 2jc1 s LEU 534 Ca 0.53 2.16 -0.29 0.00 -1.03 0.00 0.00 54.13 55.49 2jc1 s LEU 534 Cb -0.40 -4.04 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 2jc1 s LEU 534 CO 0.53 -0.48 1.56 -0.54 0.23 0.00 0.00 176.35 177.66 2jc1 s LYS 535 N -2.26 4.14 -0.18 1.70 -0.14 -1.26 -4.97 119.74 116.77 2jc1 s LYS 535 Ca 0.55 2.00 -0.13 0.00 -1.36 0.00 0.00 55.97 57.04 2jc1 s LYS 535 Cb -0.26 -3.94 -0.05 0.00 -1.68 0.00 0.00 37.83 31.90 2jc1 s LYS 535 CO 0.33 -0.88 0.26 -0.51 -0.76 0.00 0.00 175.35 173.79 2jc1 s LEU 536 N 4.08 4.21 0.16 3.17 1.02 -1.26 -5.07 118.68 125.00 2jc1 s LEU 536 Ca 0.69 0.41 0.08 0.00 0.02 0.00 0.00 54.13 55.33 2jc1 s LEU 536 Cb -0.30 -2.31 -0.04 0.00 0.02 0.00 0.00 46.19 43.56 2jc1 s LEU 536 CO 0.26 0.09 -0.16 0.28 0.02 0.00 0.00 176.35 176.84 2jc1 s THR 537 N 0.61 1.67 0.53 5.49 -1.32 -1.26 -5.11 115.64 116.24 2jc1 s THR 537 Ca 0.14 -1.93 -0.20 0.00 -1.21 0.00 0.00 61.69 58.49 2jc1 s THR 537 Cb -0.13 -1.81 -0.08 0.00 -1.51 0.00 0.00 72.50 68.98 2jc1 s THR 537 CO 0.03 -0.41 0.85 -2.65 -2.21 0.00 0.00 174.62 170.23 2jc1 n PRO 538 N 0.20 0.92 -3.98 7.08 -0.02 -1.26 -5.00 135.00 132.95 2jc1 n PRO 538 Ca -0.13 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 2jc1 n PRO 538 Cb 0.58 -1.98 -0.07 0.00 -0.02 0.00 0.00 33.50 32.01 2jc1 n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jc1 s ILE 539 N -1.49 5.26 0.00 4.25 1.01 -1.26 -5.13 121.20 123.84 2jc1 s ILE 539 Ca 0.70 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2jc1 s ILE 539 Cb -0.47 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2jc1 s ILE 539 CO 0.52 0.57 0.00 -2.65 0.00 0.00 0.00 174.94 173.39 2jc1 n PRO 540 N 1.86 0.30 -0.94 2.79 -0.02 -1.26 -5.06 135.00 132.68 2jc1 n PRO 540 Ca -0.18 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.42 2jc1 n PRO 540 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.98 2jc1 n PRO 540 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jc1 n ALA 541 N -3.00 -2.43 0.00 3.55 0.00 -1.26 -4.95 120.51 112.42 2jc1 n ALA 541 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2jc1 n ALA 541 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2jc1 n ALA 541 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2jc1 n TRP 550 N -3.45 0.00 -3.57 0.00 7.02 -1.26 -5.07 117.44 111.11 2jc1 n TRP 550 Ca -0.01 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.20 2jc1 n TRP 550 Cb 0.43 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.23 2jc1 n TRP 550 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2jc1 n PHE 551 N 0.00 2.22 -0.03 -5.99 3.72 -1.26 -4.79 117.46 111.33 2jc1 n PHE 551 Ca 0.00 -4.00 -0.05 0.00 -0.05 0.00 0.00 57.45 53.35 2jc1 n PHE 551 Cb 0.00 -0.42 -0.02 0.00 -0.94 0.00 0.00 39.48 38.10 2jc1 n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2jc1 n VAL 552 N 1.68 0.28 -3.93 -4.37 0.31 -1.19 -4.30 118.33 106.82 2jc1 n VAL 552 Ca 0.25 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.41 2jc1 n VAL 552 Cb 0.41 -1.35 -0.05 0.00 -0.91 0.00 0.00 33.84 31.94 2jc1 n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jc1 s ALA 553 N -2.09 -0.38 -0.05 3.52 0.00 -1.25 -3.92 121.76 117.58 2jc1 s ALA 553 Ca -0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2jc1 s ALA 553 Cb 0.03 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 24.09 2jc1 s ALA 553 CO 0.10 -0.81 0.04 0.20 0.00 0.00 0.00 175.76 175.29 2jc1 s GLY 554 N -2.97 1.94 -0.01 0.00 0.00 -1.26 -4.95 107.32 100.06 2jc1 s GLY 554 Ca 0.18 -0.83 0.18 0.00 0.00 0.00 0.00 44.72 44.26 2jc1 s GLY 554 CO 0.05 -0.64 1.13 -1.72 0.00 0.00 0.00 173.10 171.92 2jc1 n TYR 555 N 1.73 0.00 -1.74 1.90 4.01 -1.21 -4.43 117.16 117.43 2jc1 n TYR 555 Ca -0.17 -0.42 -0.42 0.00 -0.16 0.00 0.00 57.90 56.73 2jc1 n TYR 555 Cb 0.53 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 39.41 2jc1 n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jc1 s SER 556 N -1.81 6.36 0.00 7.72 0.15 -1.22 -0.15 113.70 124.74 2jc1 s SER 556 Ca 0.25 2.93 0.00 0.00 0.70 0.00 0.00 55.95 59.83 2jc1 s SER 556 Cb 0.28 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2jc1 s SER 556 CO -0.12 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 173.97 2jc1 n GLY 557 N 3.08 2.26 0.81 9.45 0.00 -1.26 -4.11 105.19 115.41 2jc1 n GLY 557 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2jc1 n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jc1 n GLY 558 N -2.00 0.84 3.04 -0.02 0.00 0.79 -2.87 105.19 104.96 2jc1 n GLY 558 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 2jc1 n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jc1 n ASP 559 N 0.85 -2.15 -4.51 1.61 2.03 -1.26 -4.61 116.55 108.51 2jc1 n ASP 559 Ca 0.17 -0.52 -0.34 0.00 0.52 0.00 0.00 54.79 54.63 2jc1 n ASP 559 Cb 0.46 -4.37 -0.12 0.00 -0.72 0.00 0.00 41.12 36.37 2jc1 n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jc1 s ILE 560 N -3.30 3.70 -0.15 5.18 -1.09 -1.26 -4.34 121.20 119.94 2jc1 s ILE 560 Ca 0.02 -0.44 -0.03 0.00 -2.23 0.00 0.00 60.65 57.97 2jc1 s ILE 560 Cb -0.01 -2.58 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 2jc1 s ILE 560 CO 0.61 0.53 -0.06 -0.47 -1.23 0.00 0.00 174.94 174.32 2jc1 s TYR 561 N -0.01 2.96 -2.14 3.97 5.04 0.25 -0.38 117.35 127.05 2jc1 s TYR 561 Ca -0.00 -0.43 0.17 0.00 -2.44 0.00 0.00 57.07 54.37 2jc1 s TYR 561 Cb -0.13 -1.94 0.14 0.00 0.35 0.00 0.00 41.96 40.37 2jc1 s TYR 561 CO 0.03 -0.12 1.04 1.58 -1.34 0.00 0.00 175.55 176.74