#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 4.56 0.41 -1.46 1.00 -1.26 -1.41 119.30 121.14 2jc1 s MET 2 Ca 0.00 1.82 0.08 0.00 0.00 0.00 0.00 55.69 57.60 2jc1 s MET 2 Cb 0.00 -3.23 0.88 0.00 0.00 0.00 0.00 34.83 32.49 2jc1 s MET 2 CO 0.00 0.05 2.03 0.66 0.00 0.00 0.00 175.02 177.76 2jc1 h SER 3 N 4.66 0.47 -5.00 3.03 4.64 -1.36 -3.40 113.55 116.59 2jc1 h SER 3 Ca -0.45 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 60.74 2jc1 h SER 3 Cb 1.21 -0.11 -0.20 0.00 -0.31 0.00 0.00 62.40 63.00 2jc1 h SER 3 CO 0.71 0.33 -0.31 -0.31 -0.87 0.00 0.00 176.83 176.37 2jc1 s TYR 4 N -5.49 -0.13 0.08 4.77 2.02 -1.26 -0.69 117.35 116.65 2jc1 s TYR 4 Ca -0.08 0.15 0.08 0.00 -0.37 0.00 0.00 57.07 56.85 2jc1 s TYR 4 Cb 0.18 0.07 -0.03 0.00 -0.40 0.00 0.00 41.96 41.78 2jc1 s TYR 4 CO 0.74 -0.38 -0.22 0.95 -1.57 0.00 0.00 175.55 175.06 2jc1 s THR 5 N -1.50 1.81 0.03 -0.71 -4.23 -0.41 -4.82 115.64 105.80 2jc1 s THR 5 Ca -0.13 -1.44 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 2jc1 s THR 5 Cb -0.05 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 2jc1 s THR 5 CO 0.03 0.08 -0.22 0.26 -0.54 0.00 0.00 174.62 174.23 2jc1 s TRP 6 N -1.00 1.91 -0.41 3.99 0.52 -1.26 -0.84 118.94 121.86 2jc1 s TRP 6 Ca 0.08 -0.38 0.23 0.00 0.02 0.00 0.00 56.10 56.06 2jc1 s TRP 6 Cb -0.10 -1.17 0.22 0.00 -1.15 0.00 0.00 33.47 31.28 2jc1 s TRP 6 CO 0.03 0.06 1.31 1.79 0.02 0.00 0.00 176.95 180.16 2jc1 h THR 7 N 4.42 0.00 0.00 2.01 1.35 -1.44 -3.47 112.91 115.77 2jc1 h THR 7 Ca -0.42 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 2jc1 h THR 7 Cb 1.15 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2jc1 h THR 7 CO 0.45 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 2jc1 n GLY 8 N 1.20 3.37 3.76 5.82 0.00 -1.26 -5.06 105.19 113.02 2jc1 n GLY 8 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.93 3.16 0.46 4.61 0.00 -1.26 -4.98 121.76 120.81 2jc1 s ALA 9 Ca 0.00 1.32 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 2jc1 s ALA 9 Cb 0.00 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 2jc1 s ALA 9 CO 0.00 -1.05 0.95 -0.51 0.00 0.00 0.00 175.76 175.14 2jc1 s LEU 10 N -2.77 3.83 -0.30 0.00 1.43 -1.26 -4.78 118.68 114.83 2jc1 s LEU 10 Ca 0.61 1.61 -0.28 0.00 -1.03 0.00 0.00 54.13 55.05 2jc1 s LEU 10 Cb -0.40 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.34 2jc1 s LEU 10 CO 0.51 -0.44 1.00 -0.63 0.23 0.00 0.00 176.35 177.02 2jc1 s ILE 11 N -2.34 4.61 0.05 -0.59 1.01 -1.26 -4.80 121.20 117.88 2jc1 s ILE 11 Ca 0.60 1.67 0.03 0.00 0.00 0.00 0.00 60.65 62.95 2jc1 s ILE 11 Cb -0.09 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2jc1 s ILE 11 CO 0.20 -0.36 0.03 0.42 0.00 0.00 0.00 174.94 175.23 2jc1 s THR 12 N 3.40 4.27 0.79 2.92 -4.23 -1.26 -4.89 115.64 116.64 2jc1 s THR 12 Ca 0.42 -0.75 -0.12 0.00 -1.18 0.00 0.00 61.69 60.07 2jc1 s THR 12 Cb -0.13 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.78 2jc1 s THR 12 CO 0.13 0.22 1.10 -2.16 -0.54 0.00 0.00 174.62 173.37 2jc1 s PRO 13 N -2.04 2.15 -0.01 3.99 0.04 -1.26 -4.38 135.00 133.49 2jc1 s PRO 13 Ca 0.24 0.57 0.19 0.00 0.04 0.00 0.00 61.00 62.04 2jc1 s PRO 13 Cb -0.12 -1.93 -0.25 0.00 0.04 0.00 0.00 34.50 32.24 2jc1 s PRO 13 CO 0.16 -1.56 0.58 0.00 0.04 0.00 0.00 177.00 176.22 2jc1 s ALA 15 N -3.05 -2.17 0.20 0.00 0.00 -1.26 -5.15 121.76 110.33 2jc1 s ALA 15 Ca -0.01 0.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.73 2jc1 s ALA 15 Cb 0.13 0.74 -0.16 0.00 0.00 0.00 0.00 23.12 23.83 2jc1 s ALA 15 CO 0.77 -1.10 0.99 0.00 0.00 0.00 0.00 175.76 176.42 2jc1 n ALA 16 N -0.75 -1.21 -3.17 0.00 0.00 -1.26 -5.00 120.51 109.12 2jc1 n ALA 16 Ca -0.01 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 2jc1 n ALA 16 Cb 0.60 -1.93 -0.17 0.00 0.00 0.00 0.00 19.45 17.95 2jc1 n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jc1 s GLU 17 N -0.80 2.71 -0.10 0.00 2.02 -1.26 -5.13 118.70 116.14 2jc1 s GLU 17 Ca 0.69 -0.80 -0.03 0.00 0.02 0.00 0.00 54.97 54.85 2jc1 s GLU 17 Cb -0.85 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 2jc1 s GLU 17 CO 0.55 0.19 0.00 -1.21 0.02 0.00 0.00 175.26 174.81 2jc1 s GLU 18 N 0.30 3.16 -0.14 1.61 2.02 -1.26 -5.00 118.70 119.39 2jc1 s GLU 18 Ca -0.15 -0.42 0.10 0.00 0.02 0.00 0.00 54.97 54.52 2jc1 s GLU 18 Cb -0.17 -2.84 -0.15 0.00 0.10 0.00 0.00 34.13 31.07 2jc1 s GLU 18 CO 0.07 0.60 0.01 -1.13 0.02 0.00 0.00 175.26 174.84 2jc1 n SER 19 N 2.45 1.91 -4.75 -0.19 3.41 -1.26 -4.55 113.62 110.64 2jc1 n SER 19 Ca -0.18 -0.02 -0.40 0.00 -0.26 0.00 0.00 58.87 58.01 2jc1 n SER 19 Cb 0.53 0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 65.06 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 -2.32 4.62 -0.09 4.33 2.20 -1.26 -0.60 119.74 126.62 2jc1 s LYS 20 Ca -0.09 1.26 -0.33 0.00 -0.36 0.00 0.00 55.97 56.45 2jc1 s LYS 20 Cb 0.04 -3.33 -0.10 0.00 -1.51 0.00 0.00 37.83 32.93 2jc1 s LYS 20 CO 0.51 0.37 1.96 -0.11 -0.36 0.00 0.00 175.35 177.72 2jc1 n LEU 21 N 2.30 3.53 -4.76 5.43 7.94 -1.25 -4.90 117.00 125.29 2jc1 n LEU 21 Ca -0.02 0.85 -0.39 0.00 -1.11 0.00 0.00 56.01 55.35 2jc1 n LEU 21 Cb 0.49 -1.42 0.01 0.00 0.53 0.00 0.00 43.42 43.04 2jc1 n LEU 21 CO 0.48 -0.09 0.95 -2.84 -1.11 0.00 0.00 177.39 174.79 2jc1 s PRO 22 N 4.53 3.58 -0.03 1.96 0.02 -1.26 -5.04 135.00 138.76 2jc1 s PRO 22 Ca 0.94 2.13 0.07 0.00 0.02 0.00 0.00 61.00 64.15 2jc1 s PRO 22 Cb -0.61 -2.48 -0.01 0.00 0.02 0.00 0.00 34.50 31.41 2jc1 s PRO 22 CO 0.48 -0.80 -0.24 0.42 -0.33 0.00 0.00 177.00 176.53 2jc1 s ILE 23 N -1.34 1.92 0.00 2.83 -1.09 -1.26 -4.73 121.20 117.53 2jc1 s ILE 23 Ca 0.64 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 2jc1 s ILE 23 Cb -0.37 -1.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.90 2jc1 s ILE 23 CO 0.46 0.54 0.00 -0.46 -1.23 0.00 0.00 174.94 174.25 2jc1 n ASN 24 N 2.70 0.36 0.20 3.58 0.23 -1.26 -5.01 115.26 116.06 2jc1 n ASN 24 Ca -0.16 -0.78 0.14 0.00 -0.53 0.00 0.00 54.58 53.25 2jc1 n ASN 24 Cb 0.52 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.94 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 -2.00 -2.85 119.26 113.89 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 -1.39 1.28 0.00 0.00 0.00 179.25 179.14 2jc1 n LEU 26 N -2.47 0.56 0.09 0.00 4.77 -1.26 -4.66 117.00 114.04 2jc1 n LEU 26 Ca -0.01 -0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 55.60 2jc1 n LEU 26 Cb 0.07 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2jc1 n LEU 26 CO 0.13 0.13 0.77 0.28 -1.33 0.00 0.00 177.39 177.37 2jc1 h SER 27 N 0.00 -0.39 0.47 -1.43 0.02 -1.85 -2.90 113.55 107.47 2jc1 h SER 27 Ca 0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2jc1 h SER 27 Cb 0.72 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 2jc1 h SER 27 CO 0.00 -0.21 -0.08 0.78 -1.14 0.00 0.00 176.83 176.18 2jc1 h ASN 28 N -0.28 0.00 0.42 3.07 2.35 -1.80 -1.21 115.58 118.14 2jc1 h ASN 28 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2jc1 h ASN 28 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2jc1 h ASN 28 CO -0.08 0.08 -0.21 0.77 -1.65 0.00 0.00 177.43 176.34 2jc1 h SER 29 N 0.00 0.00 0.03 5.81 4.64 -1.81 -3.27 113.55 118.95 2jc1 h SER 29 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 2jc1 h SER 29 Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 2jc1 h SER 29 CO 0.01 0.21 -2.24 -0.11 -0.87 0.00 0.00 176.83 173.83 2jc1 n LEU 30 N -3.80 2.53 -3.66 5.97 7.94 -0.55 -4.67 117.00 120.76 2jc1 n LEU 30 Ca -0.02 0.12 -0.06 0.00 -1.11 0.00 0.00 56.01 54.95 2jc1 n LEU 30 Cb 0.31 -0.94 -0.07 0.00 0.53 0.00 0.00 43.42 43.24 2jc1 n LEU 30 CO 0.33 0.76 0.17 -0.22 -1.11 0.00 0.00 177.39 177.32 2jc1 s LEU 31 N -7.03 -0.80 -0.09 -1.96 0.20 -0.62 -4.19 118.68 104.18 2jc1 s LEU 31 Ca -0.32 1.28 0.19 0.00 0.69 0.00 0.00 54.13 55.97 2jc1 s LEU 31 Cb 0.09 1.88 -0.27 0.00 -0.43 0.00 0.00 46.19 47.47 2jc1 s LEU 31 CO 0.61 -0.22 0.35 0.54 -0.29 0.00 0.00 176.35 177.34 2jc1 n ARG 32 N 5.06 0.67 -2.42 1.98 1.74 0.07 -4.11 116.66 119.65 2jc1 n ARG 32 Ca -0.14 -0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.47 2jc1 n ARG 32 Cb 0.52 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.58 3.76 -0.13 -1.55 8.25 -0.56 -4.81 115.22 117.60 2jc1 n HIS 33 Ca -0.18 -2.98 -0.01 0.00 -0.26 0.00 0.00 57.72 54.29 2jc1 n HIS 33 Cb 0.88 -2.19 0.25 0.00 1.12 0.00 0.00 29.99 30.05 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 6.35 0.81 0.00 4.41 3.86 -1.85 -2.80 115.15 125.93 2jc1 h HIS 34 Ca 0.41 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2jc1 h HIS 34 Cb 0.72 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2jc1 h HIS 34 CO 1.27 0.61 0.00 0.09 0.86 0.00 0.00 177.93 180.76 2jc1 n ASN 35 N -4.34 0.00 0.06 2.45 3.02 -1.26 -1.65 115.26 113.53 2jc1 n ASN 35 Ca 0.05 0.27 0.12 0.00 -0.03 0.00 0.00 54.58 54.99 2jc1 n ASN 35 Cb 0.15 -0.37 0.26 0.00 -0.61 0.00 0.00 39.78 39.20 2jc1 n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2jc1 n MET 36 N -1.37 0.24 -3.93 3.52 2.81 -1.05 -4.82 117.12 112.51 2jc1 n MET 36 Ca 0.05 0.11 -0.35 0.00 -1.81 0.00 0.00 57.70 55.69 2jc1 n MET 36 Cb 0.12 -1.69 -0.09 0.00 -0.71 0.00 0.00 33.22 30.85 2jc1 n MET 36 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2jc1 s VAL 37 N -3.13 5.01 0.07 2.03 1.01 -0.66 -0.27 120.40 124.46 2jc1 s VAL 37 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2jc1 s VAL 37 Cb 0.14 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2jc1 s VAL 37 CO 0.68 0.47 0.02 -0.72 0.00 0.00 0.00 175.10 175.56 2jc1 s TYR 38 N 0.20 0.53 -0.05 5.22 1.13 -0.68 -3.79 117.35 119.91 2jc1 s TYR 38 Ca 0.06 -1.02 0.02 0.00 -1.41 0.00 0.00 57.07 54.72 2jc1 s TYR 38 Cb -0.12 -0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 40.36 2jc1 s TYR 38 CO -0.00 -0.44 -0.10 0.00 -2.51 0.00 0.00 175.55 172.50 2jc1 s ALA 39 N -3.94 2.87 0.57 9.51 0.00 0.23 -0.75 121.76 130.26 2jc1 s ALA 39 Ca 0.10 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 2jc1 s ALA 39 Cb 0.07 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2jc1 s ALA 39 CO -0.08 0.57 1.16 0.95 0.00 0.00 0.00 175.76 178.37 2jc1 s THR 40 N -0.82 2.93 0.26 0.00 -4.23 -0.23 -4.43 115.64 109.13 2jc1 s THR 40 Ca 0.13 0.57 0.02 0.00 -1.18 0.00 0.00 61.69 61.23 2jc1 s THR 40 Cb -0.11 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 2jc1 s THR 40 CO 0.02 -0.13 0.18 0.42 -0.54 0.00 0.00 174.62 174.57 2jc1 s THR 41 N -1.73 0.07 0.57 3.99 -4.23 -1.26 -4.01 115.64 109.04 2jc1 s THR 41 Ca 0.74 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.63 2jc1 s THR 41 Cb -0.26 -2.51 0.40 0.00 1.34 0.00 0.00 72.50 71.47 2jc1 s THR 41 CO 0.30 0.00 2.27 0.77 -0.54 0.00 0.00 174.62 177.43 2jc1 h SER 42 N 2.39 0.00 -1.02 3.99 4.64 -1.85 -2.67 113.55 119.04 2jc1 h SER 42 Ca -0.32 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.29 2jc1 h SER 42 Cb 1.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.29 2jc1 h SER 42 CO 0.48 0.02 0.80 0.03 -0.87 0.00 0.00 176.83 177.28 2jc1 h ARG 43 N 0.00 0.00 -0.34 4.77 3.08 -1.96 0.11 114.38 120.04 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2jc1 h ARG 43 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 2jc1 n SER 44 N -4.02 3.26 -0.21 7.04 3.41 -1.01 -4.60 113.62 117.49 2jc1 n SER 44 Ca 0.22 -1.94 0.03 0.00 -0.26 0.00 0.00 58.87 56.91 2jc1 n SER 44 Cb 1.14 -0.22 0.28 0.00 -0.26 0.00 0.00 64.21 65.16 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 4.03 1.55 -0.95 7.33 0.00 -0.92 -1.24 119.26 129.06 2jc1 h ALA 45 Ca 0.00 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.09 2jc1 h ALA 45 Cb 0.91 -0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 2jc1 h ALA 45 CO 0.00 0.38 0.51 0.77 0.00 0.00 0.00 179.25 180.91 2jc1 h SER 46 N 0.93 0.56 -0.20 0.00 0.02 -1.81 0.80 113.55 113.85 2jc1 h SER 46 Ca 0.30 0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 61.27 2jc1 h SER 46 Cb 0.04 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2jc1 h SER 46 CO -0.08 0.11 -0.31 0.25 -1.14 0.00 0.00 176.83 175.66 2jc1 h LEU 47 N 0.56 0.62 -0.76 5.07 6.46 -1.57 -2.86 115.31 122.82 2jc1 h LEU 47 Ca 0.58 -0.52 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2jc1 h LEU 47 Cb 1.04 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.75 2jc1 h LEU 47 CO -0.46 1.02 0.50 -0.09 -0.62 0.00 0.00 178.44 178.79 2jc1 h ARG 48 N 0.23 0.99 -0.53 1.25 9.65 -1.17 -2.14 114.38 122.66 2jc1 h ARG 48 Ca 0.02 -0.06 0.10 0.00 -1.10 0.00 0.00 59.98 58.94 2jc1 h ARG 48 Cb 0.89 -0.22 -0.08 0.00 -1.39 0.00 0.00 29.97 29.17 2jc1 h ARG 48 CO 0.07 0.65 0.05 1.96 2.80 0.00 0.00 179.97 185.50 2jc1 h GLN 49 N 1.02 0.17 -0.26 0.20 4.20 -0.78 -0.39 115.11 119.26 2jc1 h GLN 49 Ca 0.29 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.05 2jc1 h GLN 49 Cb -0.09 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.58 2jc1 h GLN 49 CO -0.07 0.11 -0.23 0.87 -0.67 0.00 0.00 178.83 178.84 2jc1 h LYS 50 N 0.17 -0.22 -0.74 1.46 6.56 -1.18 -2.77 116.57 119.86 2jc1 h LYS 50 Ca 0.27 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.85 2jc1 h LYS 50 Cb 0.40 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.08 2jc1 h LYS 50 CO -0.40 -0.14 0.34 0.87 -2.06 0.00 0.00 179.45 178.05 2jc1 h LYS 51 N -0.23 1.07 -0.00 3.15 1.57 -0.57 -3.04 116.57 118.51 2jc1 h LYS 51 Ca 0.14 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jc1 h LYS 51 Cb 0.44 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2jc1 h LYS 51 CO -0.39 0.83 -0.13 1.33 -0.57 0.00 0.00 179.45 180.52 2jc1 n VAL 52 N -4.31 0.00 -3.71 0.50 0.24 -0.29 -4.80 118.33 105.96 2jc1 n VAL 52 Ca 0.07 -0.08 -0.38 0.00 -2.04 0.00 0.00 64.34 61.91 2jc1 n VAL 52 Cb 0.15 0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.41 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 -2.46 4.24 0.17 3.34 2.01 -1.06 -4.69 115.64 117.19 2jc1 s THR 53 Ca 0.28 -0.64 -0.24 0.00 0.31 0.00 0.00 61.69 61.40 2jc1 s THR 53 Cb 0.20 -3.21 0.06 0.00 0.01 0.00 0.00 72.50 69.56 2jc1 s THR 53 CO 0.48 0.03 0.90 0.72 -0.69 0.00 0.00 174.62 176.05 2jc1 s PHE 54 N 1.54 -0.16 0.19 4.92 -0.12 -1.26 -4.95 117.98 118.14 2jc1 s PHE 54 Ca 0.03 -0.17 -0.27 0.00 -0.05 0.00 0.00 56.93 56.48 2jc1 s PHE 54 Cb -0.17 0.65 -0.08 0.00 -0.63 0.00 0.00 43.02 42.78 2jc1 s PHE 54 CO 0.04 -0.90 0.83 0.34 -0.05 0.00 0.00 175.22 175.48 2jc1 s ASP 55 N -2.91 7.46 -0.14 1.98 2.15 -1.26 -1.02 116.67 122.93 2jc1 s ASP 55 Ca 0.11 1.74 -0.00 0.00 0.43 0.00 0.00 52.55 54.83 2jc1 s ASP 55 Cb -0.02 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 2jc1 s ASP 55 CO 0.02 0.19 -0.13 -0.13 -0.17 0.00 0.00 175.17 174.95 2jc1 s ARG 56 N -1.19 3.37 -0.08 4.34 3.00 -0.50 -4.95 118.95 122.93 2jc1 s ARG 56 Ca 0.38 -0.69 0.02 0.00 0.00 0.00 0.00 55.73 55.44 2jc1 s ARG 56 Cb -0.24 -2.66 -0.02 0.00 0.00 0.00 0.00 34.95 32.04 2jc1 s ARG 56 CO 0.28 0.16 -0.14 -0.51 0.00 0.00 0.00 175.30 175.10 2jc1 s LEU 57 N 0.48 2.73 -0.07 2.53 1.02 -1.26 -3.71 118.68 120.40 2jc1 s LEU 57 Ca -0.09 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 53.83 2jc1 s LEU 57 Cb -0.16 -1.58 0.01 0.00 0.02 0.00 0.00 46.19 44.49 2jc1 s LEU 57 CO 0.04 0.27 -0.13 -1.10 0.02 0.00 0.00 176.35 175.46 2jc1 s GLN 58 N -0.27 1.76 -0.20 1.70 -0.21 -1.26 -4.02 119.66 117.16 2jc1 s GLN 58 Ca 0.02 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 54.98 2jc1 s GLN 58 Cb -0.13 -1.47 0.04 0.00 1.00 0.00 0.00 33.01 32.46 2jc1 s GLN 58 CO 0.03 0.01 -0.12 0.08 -2.12 0.00 0.00 175.29 173.17 2jc1 s VAL 59 N 0.72 1.81 -0.19 1.09 1.01 0.33 -5.03 120.40 120.14 2jc1 s VAL 59 Ca -0.13 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 2jc1 s VAL 59 Cb -0.16 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2jc1 s VAL 59 CO 0.03 0.21 -0.08 -0.76 0.00 0.00 0.00 175.10 174.50 2jc1 s LEU 60 N 1.33 2.82 0.00 3.92 1.43 -1.26 -4.25 118.68 122.66 2jc1 s LEU 60 Ca -0.01 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2jc1 s LEU 60 Cb -0.16 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.40 2jc1 s LEU 60 CO -0.09 0.05 0.23 -0.90 0.23 0.00 0.00 176.35 175.88 2jc1 n ASP 61 N 4.29 2.16 -0.22 2.29 5.75 -1.26 -4.98 116.55 124.58 2jc1 n ASP 61 Ca -0.18 -2.19 -0.07 0.00 -0.01 0.00 0.00 54.79 52.34 2jc1 n ASP 61 Cb 0.51 -0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.66 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 0.44 1.03 -0.85 -1.12 3.32 -1.99 -2.23 116.42 115.02 2jc1 h ASP 62 Ca -0.22 -0.24 0.14 0.00 0.02 0.00 0.00 57.03 56.73 2jc1 h ASP 62 Cb 0.79 -0.27 -0.09 0.00 0.22 0.00 0.00 39.33 39.97 2jc1 h ASP 62 CO 0.35 1.03 0.45 0.45 -1.72 0.00 0.00 179.24 179.79 2jc1 h HIS 63 N 1.01 0.79 -0.10 4.55 3.86 -1.96 0.27 115.15 123.56 2jc1 h HIS 63 Ca 0.20 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2jc1 h HIS 63 Cb 0.43 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 2jc1 h HIS 63 CO 0.03 0.20 0.05 -0.92 0.86 0.00 0.00 177.93 178.15 2jc1 h TYR 64 N 0.65 0.15 -0.39 2.45 3.20 -1.73 -2.21 116.97 119.09 2jc1 h TYR 64 Ca 0.46 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.24 2jc1 h TYR 64 Cb 0.63 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2jc1 h TYR 64 CO -0.09 0.23 -0.11 0.00 -1.64 0.00 0.00 178.16 176.56 2jc1 h ARG 65 N 0.03 0.69 -0.25 1.82 3.08 -0.98 -2.31 114.38 116.46 2jc1 h ARG 65 Ca 0.04 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2jc1 h ARG 65 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2jc1 h ARG 65 CO -0.00 0.78 0.12 -0.44 -1.07 0.00 0.00 179.97 179.36 2jc1 h ASP 66 N 0.63 0.33 -0.53 7.04 3.32 -0.39 -0.80 116.42 126.01 2jc1 h ASP 66 Ca 0.11 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2jc1 h ASP 66 Cb 0.55 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2jc1 h ASP 66 CO 0.03 0.35 0.26 0.58 -1.72 0.00 0.00 179.24 178.74 2jc1 h VAL 67 N 0.28 1.20 -0.43 -1.35 2.07 -1.34 -2.44 116.25 114.24 2jc1 h VAL 67 Ca 0.09 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2jc1 h VAL 67 Cb 0.11 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2jc1 h VAL 67 CO -0.01 0.22 0.18 0.25 0.02 0.00 0.00 177.57 178.23 2jc1 h LEU 68 N 0.71 0.24 -0.72 2.57 5.85 -1.27 -0.22 115.31 122.46 2jc1 h LEU 68 Ca 0.18 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2jc1 h LEU 68 Cb 0.11 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2jc1 h LEU 68 CO -0.02 0.17 0.45 0.50 -0.34 0.00 0.00 178.44 179.20 2jc1 h LYS 69 N 0.38 0.83 -0.56 1.25 3.64 -0.91 -0.44 116.57 120.76 2jc1 h LYS 69 Ca 0.20 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2jc1 h LYS 69 Cb 0.15 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2jc1 h LYS 69 CO -0.17 0.55 0.35 0.93 -2.27 0.00 0.00 179.45 178.84 2jc1 h GLU 70 N 0.86 0.76 -0.41 1.90 5.08 -0.94 -1.45 114.58 120.38 2jc1 h GLU 70 Ca 0.30 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2jc1 h GLU 70 Cb 0.06 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2jc1 h GLU 70 CO -0.13 0.54 0.10 0.52 -1.00 0.00 0.00 179.01 179.04 2jc1 h MET 71 N 0.76 0.66 -0.79 2.33 2.86 -0.61 -2.65 114.93 117.49 2jc1 h MET 71 Ca 0.20 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2jc1 h MET 71 Cb -0.04 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 2jc1 h MET 71 CO -0.04 0.67 0.47 0.87 1.06 0.00 0.00 176.91 179.94 2jc1 h LYS 72 N 0.52 1.07 -0.99 1.72 1.57 -0.95 -0.52 116.57 119.00 2jc1 h LYS 72 Ca 0.13 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2jc1 h LYS 72 Cb 0.31 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 2jc1 h LYS 72 CO 0.00 0.75 0.65 0.00 -0.57 0.00 0.00 179.45 180.28 2jc1 h ALA 73 N 1.43 1.30 -0.19 3.86 0.00 -1.05 -0.23 119.26 124.38 2jc1 h ALA 73 Ca 0.28 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2jc1 h ALA 73 Cb -0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2jc1 h ALA 73 CO -0.05 0.55 -0.28 0.87 0.00 0.00 0.00 179.25 180.33 2jc1 h LYS 74 N 1.26 0.54 -0.55 0.00 1.57 -1.10 -3.19 116.57 115.10 2jc1 h LYS 74 Ca 0.39 -0.32 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2jc1 h LYS 74 Cb -0.02 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2jc1 h LYS 74 CO -0.12 0.92 0.36 0.00 -0.57 0.00 0.00 179.45 180.04 2jc1 h ALA 75 N 0.61 1.79 0.00 3.86 0.00 -0.72 0.17 119.26 124.98 2jc1 h ALA 75 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jc1 h ALA 75 Cb 0.86 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jc1 h ALA 75 CO 0.07 0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.88 2jc1 n SER 76 N -4.47 0.44 -0.25 0.00 7.64 -0.13 -1.29 113.62 115.55 2jc1 n SER 76 Ca 0.07 0.67 0.13 0.00 1.01 0.00 0.00 58.87 60.75 2jc1 n SER 76 Cb 0.19 -0.74 0.35 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.00 -3.02 0.44 -2.24 0.05 -4.71 114.28 102.75 2jc1 n THR 77 Ca 0.00 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 2jc1 n THR 77 Cb 0.09 0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.52 4.95 -0.18 2.28 1.01 -0.41 -4.98 120.40 120.55 2jc1 s VAL 78 Ca 0.24 1.52 -0.03 0.00 0.00 0.00 0.00 61.98 63.70 2jc1 s VAL 78 Cb 0.19 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2jc1 s VAL 78 CO 0.53 0.28 -0.05 -0.75 0.00 0.00 0.00 175.10 175.11 2jc1 s LYS 79 N 0.54 3.50 0.12 2.72 2.20 -1.26 -0.45 119.74 127.11 2jc1 s LYS 79 Ca 0.38 -0.59 0.07 0.00 -0.36 0.00 0.00 55.97 55.48 2jc1 s LYS 79 Cb -0.19 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2jc1 s LYS 79 CO 0.20 0.03 -0.18 0.00 -0.36 0.00 0.00 175.35 175.04 2jc1 s ALA 80 N 0.89 1.72 0.15 3.13 0.00 -0.48 -4.94 121.76 122.23 2jc1 s ALA 80 Ca -0.01 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.74 2jc1 s ALA 80 Cb -0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2jc1 s ALA 80 CO 0.01 0.25 -0.09 -1.59 0.00 0.00 0.00 175.76 174.34 2jc1 s LYS 81 N -2.28 2.09 0.23 0.00 -2.85 -1.26 -4.38 119.74 111.29 2jc1 s LYS 81 Ca 0.08 -1.18 -0.30 0.00 -1.00 0.00 0.00 55.97 53.58 2jc1 s LYS 81 Cb -0.08 -2.22 -0.09 0.00 -2.06 0.00 0.00 37.83 33.39 2jc1 s LYS 81 CO 0.04 0.46 1.03 -1.17 0.10 0.00 0.00 175.35 175.82 2jc1 s LEU 82 N -2.62 4.57 0.17 2.77 2.96 -1.26 -4.50 118.68 120.77 2jc1 s LEU 82 Ca 0.24 2.08 -0.11 0.00 -0.22 0.00 0.00 54.13 56.12 2jc1 s LEU 82 Cb -0.10 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 2jc1 s LEU 82 CO 0.15 -0.05 0.52 -0.76 -1.32 0.00 0.00 176.35 174.88 2jc1 s LEU 83 N -0.99 4.26 0.84 -0.68 1.02 0.06 -5.04 118.68 118.15 2jc1 s LEU 83 Ca 0.45 0.93 -0.11 0.00 0.02 0.00 0.00 54.13 55.42 2jc1 s LEU 83 Cb -0.29 -3.41 0.09 0.00 0.02 0.00 0.00 46.19 42.61 2jc1 s LEU 83 CO 0.36 0.03 1.09 -0.94 0.02 0.00 0.00 176.35 176.91 2jc1 s SER 84 N -2.05 3.95 0.21 2.29 1.04 -1.26 -4.62 113.70 113.26 2jc1 s SER 84 Ca 0.41 1.66 -0.15 0.00 0.48 0.00 0.00 55.95 58.35 2jc1 s SER 84 Cb -0.13 -2.35 0.22 0.00 0.10 0.00 0.00 66.02 63.86 2jc1 s SER 84 CO 0.20 -2.36 1.61 0.58 0.98 0.00 0.00 173.24 174.25 2jc1 h VAL 85 N -1.35 0.29 -0.27 5.02 2.07 -1.98 -1.82 116.25 118.20 2jc1 h VAL 85 Ca -0.46 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 2jc1 h VAL 85 Cb 1.26 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2jc1 h VAL 85 CO 0.53 0.00 -0.47 1.05 0.02 0.00 0.00 177.57 178.70 2jc1 h GLU 86 N -0.05 0.70 -0.59 1.57 9.09 -1.97 0.19 114.58 123.51 2jc1 h GLU 86 Ca 0.29 -0.40 0.04 0.00 0.05 0.00 0.00 59.36 59.34 2jc1 h GLU 86 Cb 0.51 0.03 -0.05 0.00 -1.65 0.00 0.00 28.75 27.59 2jc1 h GLU 86 CO -0.68 1.02 0.34 0.93 0.05 0.00 0.00 179.01 180.67 2jc1 h GLU 87 N 0.56 0.63 -0.55 1.06 5.08 -1.91 -1.87 114.58 117.59 2jc1 h GLU 87 Ca 0.03 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2jc1 h GLU 87 Cb 1.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2jc1 h GLU 87 CO 0.10 0.42 -0.00 0.00 -1.00 0.00 0.00 179.01 178.52 2jc1 h ALA 88 N 1.29 0.74 -0.62 3.43 0.00 -0.73 -2.94 119.26 120.44 2jc1 h ALA 88 Ca 0.25 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2jc1 h ALA 88 Cb 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2jc1 h ALA 88 CO -0.14 0.57 0.29 0.00 0.00 0.00 0.00 179.25 179.96 2jc1 h LYS 90 N 0.52 0.00 -0.01 0.00 1.79 -1.16 -2.01 116.57 115.71 2jc1 h LYS 90 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2jc1 h LYS 90 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2jc1 h LYS 90 CO -0.24 0.00 -0.12 1.28 -1.08 0.00 0.00 179.45 179.29 2jc1 n LEU 91 N -2.37 0.96 -4.69 2.94 4.77 -0.78 -4.87 117.00 112.97 2jc1 n LEU 91 Ca 0.01 -0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.33 2jc1 n LEU 91 Cb 0.18 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 2jc1 n LEU 91 CO 0.18 0.17 0.53 -0.89 -1.33 0.00 0.00 177.39 176.05 2jc1 s THR 92 N -2.29 4.94 0.28 -5.08 2.01 -0.75 -0.26 115.64 114.49 2jc1 s THR 92 Ca 0.32 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 2jc1 s THR 92 Cb 0.20 -4.11 -0.11 0.00 0.01 0.00 0.00 72.50 68.49 2jc1 s THR 92 CO 0.44 0.11 1.60 -2.84 -0.69 0.00 0.00 174.62 173.24 2jc1 s PRO 93 N 1.62 4.13 0.50 4.92 0.02 -1.26 -4.76 135.00 140.17 2jc1 s PRO 93 Ca 0.38 2.57 0.35 0.00 0.02 0.00 0.00 61.00 64.32 2jc1 s PRO 93 Cb -0.17 -3.03 1.48 0.00 0.02 0.00 0.00 34.50 32.80 2jc1 s PRO 93 CO 0.15 -0.64 1.72 -1.35 -0.33 0.00 0.00 177.00 176.56 2jc1 h PRO 94 N 5.10 0.09 -0.43 5.54 0.11 -1.96 -1.26 132.00 139.19 2jc1 h PRO 94 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jc1 h PRO 94 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jc1 h PRO 94 CO 0.81 0.06 0.00 0.72 -0.21 0.00 0.00 178.00 179.38 2jc1 n HIS 95 N -4.31 1.21 -1.69 0.65 8.25 -1.26 -4.03 115.22 114.03 2jc1 n HIS 95 Ca 0.31 -0.72 -0.39 0.00 -0.26 0.00 0.00 57.72 56.66 2jc1 n HIS 95 Cb 1.35 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 32.22 2jc1 n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jc1 n SER 96 N 0.28 1.99 -4.64 0.41 2.88 -0.48 -4.88 113.62 109.18 2jc1 n SER 96 Ca 0.22 0.93 -0.47 0.00 -1.33 0.00 0.00 58.87 58.22 2jc1 n SER 96 Cb 0.87 -1.50 -0.04 0.00 -0.75 0.00 0.00 64.21 62.79 2jc1 n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jc1 n ALA 97 N -1.20 0.44 -1.21 -1.46 0.00 -1.26 -4.24 120.51 111.58 2jc1 n ALA 97 Ca 0.11 0.45 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 2jc1 n ALA 97 Cb 0.45 -2.21 0.10 0.00 0.00 0.00 0.00 19.45 17.79 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 0.05 2.01 0.46 0.00 -2.85 -1.26 -4.58 119.74 113.58 2jc1 s LYS 98 Ca 0.74 1.53 -0.22 0.00 -1.00 0.00 0.00 55.97 57.03 2jc1 s LYS 98 Cb -0.75 -1.84 -0.08 0.00 -2.06 0.00 0.00 37.83 33.10 2jc1 s LYS 98 CO 0.47 -1.88 1.08 0.45 0.10 0.00 0.00 175.35 175.57 2jc1 s SER 99 N -2.54 6.37 0.57 0.03 0.15 0.21 -4.61 113.70 113.88 2jc1 s SER 99 Ca 0.69 2.08 0.38 0.00 0.70 0.00 0.00 55.95 59.80 2jc1 s SER 99 Cb -0.24 -2.58 2.03 0.00 -1.71 0.00 0.00 66.02 63.52 2jc1 s SER 99 CO 0.50 -0.76 2.16 0.11 1.20 0.00 0.00 173.24 176.44 2jc1 h LYS 100 N 1.95 0.00 -0.91 5.44 1.57 -1.95 -3.26 116.57 119.41 2jc1 h LYS 100 Ca -0.49 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.79 2jc1 h LYS 100 Cb 1.23 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.26 2jc1 h LYS 100 CO 0.60 0.00 0.57 1.19 -0.57 0.00 0.00 179.45 181.24 2jc1 n PHE 101 N -2.86 2.83 -1.88 -1.35 3.72 -1.26 -4.93 117.46 111.73 2jc1 n PHE 101 Ca -0.02 -1.97 0.00 0.00 -0.05 0.00 0.00 57.45 55.40 2jc1 n PHE 101 Cb 0.08 -0.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 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 -1.11 0.41 3.29 1.37 0.00 -1.23 -5.05 105.19 102.87 2jc1 n GLY 102 Ca 0.57 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 0.41 0.15 1.61 1.13 -1.26 -4.99 117.35 112.39 2jc1 s TYR 103 Ca 0.00 -0.79 0.00 0.00 -1.41 0.00 0.00 57.07 54.88 2jc1 s TYR 103 Cb 0.00 -0.11 -0.00 0.00 -1.10 0.00 0.00 41.96 40.75 2jc1 s TYR 103 CO 0.00 -0.66 0.02 0.41 -2.51 0.00 0.00 175.55 172.80 2jc1 n GLY 104 N -0.17 3.94 0.33 5.49 0.00 -1.26 -0.62 105.19 112.90 2jc1 n GLY 104 Ca -0.09 -2.16 -0.07 0.00 0.00 0.00 0.00 46.02 43.70 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 1.13 0.95 -0.36 4.61 0.00 -1.81 -1.82 119.26 121.96 2jc1 h ALA 105 Ca -0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2jc1 h ALA 105 Cb 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2jc1 h ALA 105 CO 0.20 0.66 -0.10 0.87 0.00 0.00 0.00 179.25 180.88 2jc1 h LYS 106 N 1.09 0.62 -0.89 0.00 1.57 -1.88 0.71 116.57 117.80 2jc1 h LYS 106 Ca 0.23 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2jc1 h LYS 106 Cb 0.35 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 2jc1 h LYS 106 CO -0.00 0.71 0.49 -0.44 -0.57 0.00 0.00 179.45 179.64 2jc1 h ASP 107 N 0.57 1.10 0.00 0.86 3.32 -1.86 -0.57 116.42 119.84 2jc1 h ASP 107 Ca 0.10 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jc1 h ASP 107 Cb 0.51 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2jc1 h ASP 107 CO 0.03 0.88 -0.00 0.58 -1.72 0.00 0.00 179.24 179.00 2jc1 h VAL 108 N 1.23 1.17 -0.04 -1.35 2.07 -0.51 -0.74 116.25 118.07 2jc1 h VAL 108 Ca 0.31 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2jc1 h VAL 108 Cb 0.01 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2jc1 h VAL 108 CO -0.05 0.13 -0.12 0.03 0.02 0.00 0.00 177.57 177.58 2jc1 h ARG 109 N -0.22 0.06 -0.00 1.57 3.08 -0.69 -1.37 114.38 116.81 2jc1 h ARG 109 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jc1 h ARG 109 Cb 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2jc1 h ARG 109 CO 0.00 0.18 -0.05 0.09 -1.07 0.00 0.00 179.97 179.13 2jc1 n ASN 110 N -4.36 0.16 -3.23 7.04 3.02 -0.24 -4.80 115.26 112.85 2jc1 n ASN 110 Ca -0.02 -0.28 -0.23 0.00 -0.03 0.00 0.00 54.58 54.02 2jc1 n ASN 110 Cb 0.21 -0.21 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.19 -2.55 -4.71 3.41 4.77 -0.52 -4.92 117.00 111.30 2jc1 n LEU 111 Ca 0.14 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 2jc1 n LEU 111 Cb 0.26 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.55 2jc1 n LEU 111 CO 0.24 0.29 0.94 -1.54 -1.33 0.00 0.00 177.39 175.99 2jc1 n SER 112 N -2.57 2.88 -0.32 -1.43 3.41 -0.34 -4.76 113.62 110.48 2jc1 n SER 112 Ca -0.07 1.18 0.08 0.00 -0.26 0.00 0.00 58.87 59.80 2jc1 n SER 112 Cb 0.59 -1.51 0.25 0.00 -0.26 0.00 0.00 64.21 63.27 2jc1 n SER 112 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2jc1 h SER 113 N 2.46 0.68 0.04 4.04 4.64 -1.91 -1.16 113.55 122.35 2jc1 h SER 113 Ca -0.47 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2jc1 h SER 113 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2jc1 h SER 113 CO 0.62 0.30 -0.02 0.50 -0.87 0.00 0.00 176.83 177.36 2jc1 h LYS 114 N 0.74 -0.06 -0.36 4.77 3.64 -1.96 -0.34 116.57 123.01 2jc1 h LYS 114 Ca 0.50 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.95 2jc1 h LYS 114 Cb 0.67 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.43 2jc1 h LYS 114 CO -0.34 0.14 -0.07 0.00 -2.27 0.00 0.00 179.45 176.91 2jc1 h ALA 115 N 0.70 0.25 -0.42 5.00 0.00 -1.78 -0.88 119.26 122.14 2jc1 h ALA 115 Ca -0.01 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2jc1 h ALA 115 Cb 0.22 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jc1 h ALA 115 CO 0.01 -0.45 -0.12 0.28 0.00 0.00 0.00 179.25 178.98 2jc1 h VAL 116 N 0.02 1.27 -0.55 0.00 2.07 -1.15 -0.75 116.25 117.15 2jc1 h VAL 116 Ca 0.17 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.50 2jc1 h VAL 116 Cb 0.26 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2jc1 h VAL 116 CO -0.35 0.41 0.32 0.78 0.02 0.00 0.00 177.57 178.75 2jc1 h ASN 117 N 0.65 0.51 -0.56 0.57 -0.26 -0.91 -0.96 115.58 114.62 2jc1 h ASN 117 Ca 0.11 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 2jc1 h ASN 117 Cb 0.65 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.79 2jc1 h ASN 117 CO 0.04 0.36 0.28 0.45 -1.06 0.00 0.00 177.43 177.50 2jc1 h HIS 118 N 0.64 0.80 -0.46 1.19 3.86 -0.89 -2.35 115.15 117.94 2jc1 h HIS 118 Ca 0.23 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2jc1 h HIS 118 Cb 0.05 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 2jc1 h HIS 118 CO -0.07 0.61 0.25 0.82 0.86 0.00 0.00 177.93 180.40 2jc1 h ILE 119 N 0.75 1.16 -0.98 2.45 2.04 -0.85 -1.36 117.51 120.72 2jc1 h ILE 119 Ca 0.19 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.69 2jc1 h ILE 119 Cb 0.10 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2jc1 h ILE 119 CO -0.03 0.17 0.64 0.45 0.00 0.00 0.00 178.15 179.38 2jc1 h HIS 120 N 0.61 1.17 -0.15 1.37 3.86 -1.06 0.19 115.15 121.14 2jc1 h HIS 120 Ca 0.16 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.29 2jc1 h HIS 120 Cb 0.05 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 2jc1 h HIS 120 CO -0.02 0.63 -0.41 0.66 0.86 0.00 0.00 177.93 179.65 2jc1 h SER 121 N 1.17 0.36 -0.36 2.45 4.64 -1.07 -1.57 113.55 119.18 2jc1 h SER 121 Ca 0.41 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 2jc1 h SER 121 Cb 0.12 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2jc1 h SER 121 CO -0.15 0.73 -0.17 0.58 -0.87 0.00 0.00 176.83 176.95 2jc1 h VAL 122 N 0.29 1.29 -0.08 0.95 2.07 -0.36 -2.54 116.25 117.85 2jc1 h VAL 122 Ca 0.03 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.28 2jc1 h VAL 122 Cb 0.84 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2jc1 h VAL 122 CO 0.07 0.42 -0.04 -0.25 0.02 0.00 0.00 177.57 177.79 2jc1 h TRP 123 N 0.53 -0.10 -0.82 1.57 2.91 -0.93 -1.28 115.95 117.83 2jc1 h TRP 123 Ca 0.08 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.20 2jc1 h TRP 123 Cb 0.71 0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 29.34 2jc1 h TRP 123 CO 0.06 -0.07 0.47 -0.22 -1.03 0.00 0.00 178.44 177.65 2jc1 h LYS 124 N -0.04 0.78 -0.63 2.65 3.64 -1.29 -1.61 116.57 120.08 2jc1 h LYS 124 Ca 0.05 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 2jc1 h LYS 124 Cb 0.11 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2jc1 h LYS 124 CO -0.11 0.52 0.06 0.22 -2.27 0.00 0.00 179.45 177.87 2jc1 h ASP 125 N 0.81 1.02 -0.89 4.20 3.58 -1.25 -1.71 116.42 122.18 2jc1 h ASP 125 Ca 0.39 -0.26 0.09 0.00 0.42 0.00 0.00 57.03 57.66 2jc1 h ASP 125 Cb 0.33 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.03 2jc1 h ASP 125 CO -0.23 1.04 0.54 -0.07 -2.88 0.00 0.00 179.24 177.64 2jc1 h LEU 126 N 0.98 0.81 -0.62 2.28 3.38 -0.57 -0.94 115.31 120.62 2jc1 h LEU 126 Ca 0.19 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 2jc1 h LEU 126 Cb 0.49 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2jc1 h LEU 126 CO 0.02 0.47 -0.59 -0.07 0.09 0.00 0.00 178.44 178.37 2jc1 h LEU 127 N 0.92 0.00 0.00 1.67 3.38 -0.92 -3.32 115.31 117.04 2jc1 h LEU 127 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2jc1 h LEU 127 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2jc1 h LEU 127 CO -0.23 0.59 -1.46 -0.62 0.09 0.00 0.00 178.44 176.82 2jc1 n GLU 128 N -3.58 0.57 -3.79 1.13 1.02 -0.68 -4.85 120.64 110.46 2jc1 n GLU 128 Ca -0.00 -0.04 -0.25 0.00 -0.02 0.00 0.00 57.16 56.84 2jc1 n GLU 128 Cb 0.64 -1.65 -0.17 0.00 -0.02 0.00 0.00 31.44 30.25 2jc1 n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jc1 s ASP 129 N -4.71 2.13 -0.18 1.62 -1.08 -0.40 -5.01 116.67 109.04 2jc1 s ASP 129 Ca -0.03 -0.36 0.16 0.00 -0.52 0.00 0.00 52.55 51.80 2jc1 s ASP 129 Cb 0.12 -0.58 0.46 0.00 -1.46 0.00 0.00 42.92 41.46 2jc1 s ASP 129 CO 0.85 -0.21 1.35 0.35 0.52 0.00 0.00 175.17 178.02 2jc1 n THR 130 N 5.07 2.21 0.00 1.71 -2.24 -1.26 -4.57 114.28 115.20 2jc1 n THR 130 Ca -0.09 -2.13 0.00 0.00 -2.27 0.00 0.00 64.05 59.56 2jc1 n THR 130 Cb 0.49 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.87 0.00 -2.18 2.28 0.31 -1.26 -4.65 118.33 111.97 2jc1 n VAL 131 Ca 0.21 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.12 2jc1 n VAL 131 Cb 0.84 -0.50 -0.02 0.00 -0.91 0.00 0.00 33.84 33.24 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 -1.72 3.83 0.33 2.52 2.01 -1.26 -4.72 115.64 116.63 2jc1 s THR 132 Ca 0.00 0.98 -0.28 0.00 0.31 0.00 0.00 61.69 62.70 2jc1 s THR 132 Cb 0.00 -3.73 -0.13 0.00 0.01 0.00 0.00 72.50 68.65 2jc1 s THR 132 CO 0.00 -0.19 1.17 -2.65 -0.69 0.00 0.00 174.62 172.25 2jc1 n PRO 133 N 7.21 1.79 -3.50 4.92 -0.02 -1.26 -4.73 135.00 139.41 2jc1 n PRO 133 Ca 0.17 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.90 2jc1 n PRO 133 Cb 0.44 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.10 5.19 0.62 4.25 1.01 0.80 -4.95 121.20 127.02 2jc1 s ILE 134 Ca 0.57 0.72 -0.19 0.00 0.00 0.00 0.00 60.65 61.76 2jc1 s ILE 134 Cb -0.62 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 2jc1 s ILE 134 CO 0.61 0.47 1.28 -0.62 0.00 0.00 0.00 174.94 176.67 2jc1 s ASP 135 N -0.20 4.85 0.03 3.58 2.15 -1.26 -4.38 116.67 121.42 2jc1 s ASP 135 Ca 0.21 2.58 0.00 0.00 0.43 0.00 0.00 52.55 55.77 2jc1 s ASP 135 Cb -0.15 -2.62 -0.02 0.00 -0.30 0.00 0.00 42.92 39.84 2jc1 s ASP 135 CO 0.09 -1.84 -0.04 0.42 -0.17 0.00 0.00 175.17 173.63 2jc1 s THR 136 N -1.43 0.20 -0.05 1.71 -4.23 -1.10 -4.36 115.64 106.37 2jc1 s THR 136 Ca 0.80 -0.97 -0.12 0.00 -1.18 0.00 0.00 61.69 60.22 2jc1 s THR 136 Cb -0.36 -0.36 -0.05 0.00 1.34 0.00 0.00 72.50 73.07 2jc1 s THR 136 CO 0.39 -0.48 0.30 -0.89 -0.54 0.00 0.00 174.62 173.40 2jc1 s THR 137 N -1.49 5.22 -0.16 3.99 2.01 0.08 -0.52 115.64 124.76 2jc1 s THR 137 Ca -0.14 0.59 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 2jc1 s THR 137 Cb -0.10 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2jc1 s THR 137 CO -0.01 0.58 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.91 2jc1 s ILE 138 N -0.94 3.41 0.06 1.82 2.07 -0.44 -1.65 121.20 125.52 2jc1 s ILE 138 Ca 0.20 -0.52 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 2jc1 s ILE 138 Cb -0.15 -2.48 -0.03 0.00 0.13 0.00 0.00 42.46 39.93 2jc1 s ILE 138 CO 0.09 0.49 -0.11 -0.04 -1.91 0.00 0.00 174.94 173.47 2jc1 s MET 139 N 0.64 0.66 -0.13 3.50 -1.94 -0.23 -4.40 119.30 117.41 2jc1 s MET 139 Ca -0.04 -0.85 -0.24 0.00 -1.71 0.00 0.00 55.69 52.84 2jc1 s MET 139 Cb -0.15 -0.52 -0.03 0.00 2.01 0.00 0.00 34.83 36.14 2jc1 s MET 139 CO 0.03 0.11 0.75 0.00 -0.01 0.00 0.00 175.02 175.89 2jc1 s ALA 140 N -1.38 3.44 0.55 3.03 0.00 -1.26 -0.66 121.76 125.49 2jc1 s ALA 140 Ca -0.06 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.74 2jc1 s ALA 140 Cb -0.10 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2jc1 s ALA 140 CO 0.01 -0.41 1.15 0.15 0.00 0.00 0.00 175.76 176.66 2jc1 s LYS 141 N 1.56 3.26 -0.44 0.00 1.02 0.31 -4.71 119.74 120.74 2jc1 s LYS 141 Ca 0.37 1.68 -0.07 0.00 0.02 0.00 0.00 55.97 57.96 2jc1 s LYS 141 Cb -0.17 -1.99 0.11 0.00 -0.52 0.00 0.00 37.83 35.26 2jc1 s LYS 141 CO 0.15 -0.94 0.29 -0.80 -0.92 0.00 0.00 175.35 173.13 2jc1 s ASN 142 N -1.71 5.56 0.08 2.83 0.02 -1.26 -4.31 114.94 116.15 2jc1 s ASN 142 Ca 0.74 -1.88 0.07 0.00 -1.02 0.00 0.00 52.86 50.77 2jc1 s ASN 142 Cb -0.26 -1.95 -0.03 0.00 0.02 0.00 0.00 41.25 39.03 2jc1 s ASN 142 CO 0.29 -0.62 -0.20 -1.61 0.02 0.00 0.00 177.10 174.98 2jc1 s GLU 143 N 1.31 1.14 -0.16 -0.60 2.02 -1.26 -4.91 118.70 116.25 2jc1 s GLU 143 Ca 0.06 -1.05 -0.09 0.00 0.02 0.00 0.00 54.97 53.91 2jc1 s GLU 143 Cb -0.25 -1.33 -0.05 0.00 0.10 0.00 0.00 34.13 32.61 2jc1 s GLU 143 CO -0.01 0.32 0.14 0.08 0.02 0.00 0.00 175.26 175.80 2jc1 s VAL 144 N -1.06 5.45 0.22 2.63 1.01 -1.26 -1.07 120.40 126.33 2jc1 s VAL 144 Ca 0.05 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 2jc1 s VAL 144 Cb -0.10 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2jc1 s VAL 144 CO 0.03 0.52 0.18 -0.36 0.00 0.00 0.00 175.10 175.47 2jc1 s PHE 145 N -0.25 1.13 -0.07 5.22 0.08 0.08 -4.73 117.98 119.43 2jc1 s PHE 145 Ca 0.11 -1.34 -0.04 0.00 0.12 0.00 0.00 56.93 55.78 2jc1 s PHE 145 Cb -0.11 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 2jc1 s PHE 145 CO 0.01 -0.70 0.13 0.00 -0.10 0.00 0.00 175.22 174.55 2jc1 n VAL 147 N 1.62 4.01 -2.51 0.00 0.24 0.62 -4.98 118.33 117.33 2jc1 n VAL 147 Ca -0.17 -0.50 -0.08 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 -1.19 -1.53 -4.28 7.34 -0.06 -1.26 -5.07 117.38 111.32 2jc1 n GLN 148 Ca 0.13 0.48 -0.32 0.00 -2.00 0.00 0.00 57.00 55.30 2jc1 n GLN 148 Cb 0.46 -3.97 -0.09 0.00 -4.06 0.00 0.00 30.24 22.58 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 -3.89 2.68 0.24 3.69 0.52 -1.26 -5.21 118.95 115.72 2jc1 s ARG 154 Ca 0.23 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 2jc1 s ARG 154 Cb -0.03 -2.60 -0.09 0.00 0.52 0.00 0.00 34.95 32.75 2jc1 s ARG 154 CO 0.41 0.60 1.21 -1.59 0.02 0.00 0.00 175.30 175.95 2jc1 s LYS 155 N -1.70 4.49 0.63 3.54 -2.85 -1.26 -5.03 119.74 117.56 2jc1 s LYS 155 Ca 0.20 1.95 -0.14 0.00 -1.00 0.00 0.00 55.97 56.98 2jc1 s LYS 155 Cb -0.11 -3.19 -0.02 0.00 -2.06 0.00 0.00 37.83 32.45 2jc1 s LYS 155 CO 0.12 -0.05 1.07 -1.25 0.10 0.00 0.00 175.35 175.33 2jc1 s PRO 156 N -0.82 3.10 0.28 1.78 0.04 -1.26 -4.82 135.00 133.30 2jc1 s PRO 156 Ca 0.50 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 2jc1 s PRO 156 Cb -0.34 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.06 2jc1 s PRO 156 CO 0.41 -0.99 1.31 0.00 0.04 0.00 0.00 177.00 177.77 2jc1 n ALA 157 N -2.40 1.00 -1.50 8.56 0.00 -1.26 -4.95 120.51 119.95 2jc1 n ALA 157 Ca 0.09 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 2jc1 n ALA 157 Cb 0.53 -2.23 0.05 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.11 2.82 0.14 0.00 0.52 -1.26 -4.69 118.95 115.37 2jc1 s ARG 158 Ca 0.62 1.27 0.07 0.00 -0.52 0.00 0.00 55.73 57.17 2jc1 s ARG 158 Cb -0.63 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 2jc1 s ARG 158 CO 0.56 -1.22 -0.02 -0.51 0.02 0.00 0.00 175.30 174.13 2jc1 s LEU 159 N -5.04 3.29 -0.02 2.53 1.43 -1.26 -0.53 118.68 119.08 2jc1 s LEU 159 Ca 0.64 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2jc1 s LEU 159 Cb -0.18 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 2jc1 s LEU 159 CO 0.44 0.13 -0.15 -0.51 0.23 0.00 0.00 176.35 176.50 2jc1 s ILE 160 N -1.50 1.17 -0.10 -0.59 1.10 0.17 -4.88 121.20 116.57 2jc1 s ILE 160 Ca 0.26 -0.62 -0.01 0.00 -0.51 0.00 0.00 60.65 59.77 2jc1 s ILE 160 Cb -0.10 -0.98 0.03 0.00 0.15 0.00 0.00 42.46 41.55 2jc1 s ILE 160 CO 0.17 0.33 -0.05 -0.69 -2.11 0.00 0.00 174.94 172.60 2jc1 s VAL 161 N -0.27 0.81 -0.07 4.00 1.01 -1.26 -1.07 120.40 123.55 2jc1 s VAL 161 Ca 0.04 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 2jc1 s VAL 161 Cb -0.07 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.47 2jc1 s VAL 161 CO -0.00 0.33 0.28 0.72 0.00 0.00 0.00 175.10 176.43 2jc1 s PHE 162 N 1.78 -0.24 0.88 5.22 -0.71 -0.66 -0.38 117.98 123.87 2jc1 s PHE 162 Ca 0.05 0.55 -0.12 0.00 -1.04 0.00 0.00 56.93 56.38 2jc1 s PHE 162 Cb -0.12 0.09 0.17 0.00 -1.21 0.00 0.00 43.02 41.94 2jc1 s PHE 162 CO -0.07 -0.22 1.22 -1.25 -1.34 0.00 0.00 175.22 173.55 2jc1 s PRO 163 N -0.37 1.07 0.68 1.99 0.04 -1.26 -0.74 135.00 136.41 2jc1 s PRO 163 Ca -0.05 -0.53 -0.16 0.00 0.04 0.00 0.00 61.00 60.30 2jc1 s PRO 163 Cb -0.03 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2jc1 s PRO 163 CO 0.01 -2.06 1.18 0.34 0.04 0.00 0.00 177.00 176.52 2jc1 s ASP 164 N -4.81 4.64 0.30 6.66 2.15 -1.26 -4.74 116.67 119.61 2jc1 s ASP 164 Ca 0.70 2.27 0.06 0.00 0.43 0.00 0.00 52.55 56.02 2jc1 s ASP 164 Cb -0.05 -2.58 0.82 0.00 -0.30 0.00 0.00 42.92 40.81 2jc1 s ASP 164 CO 0.50 -1.96 1.69 0.25 -0.17 0.00 0.00 175.17 175.48 2jc1 h LEU 165 N 0.05 0.36 -0.54 -1.34 5.85 -1.81 -1.37 115.31 116.49 2jc1 h LEU 165 Ca -0.48 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 2jc1 h LEU 165 Cb 1.28 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 2jc1 h LEU 165 CO 0.52 -0.04 0.12 1.23 -0.34 0.00 0.00 178.44 179.92 2jc1 h GLY 166 N 0.38 0.95 1.01 3.75 0.00 -1.95 -0.95 103.07 106.25 2jc1 h GLY 166 Ca 0.61 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jc1 h GLY 166 CO -0.56 0.57 0.45 -2.08 0.00 0.00 0.00 176.54 174.92 2jc1 h VAL 167 N 0.78 1.20 -0.86 4.60 2.07 -1.64 -2.77 116.25 119.63 2jc1 h VAL 167 Ca 0.17 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2jc1 h VAL 167 Cb 0.37 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2jc1 h VAL 167 CO 0.01 0.20 0.51 0.03 0.02 0.00 0.00 177.57 178.34 2jc1 h ARG 168 N 0.98 1.17 -0.77 1.57 3.08 -0.46 -0.30 114.38 119.65 2jc1 h ARG 168 Ca 0.26 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2jc1 h ARG 168 Cb -0.07 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.70 2jc1 h ARG 168 CO -0.05 0.82 0.38 0.28 -1.07 0.00 0.00 179.97 180.33 2jc1 h VAL 169 N 1.19 1.24 -0.52 2.04 2.07 -1.14 -2.78 116.25 118.35 2jc1 h VAL 169 Ca 0.31 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 2jc1 h VAL 169 Cb -0.04 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2jc1 h VAL 169 CO -0.06 0.29 0.07 0.00 0.02 0.00 0.00 177.57 177.89 2jc1 h GLU 171 N 0.79 0.35 -0.48 0.00 5.08 -0.90 -1.72 114.58 117.70 2jc1 h GLU 171 Ca 0.16 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2jc1 h GLU 171 Cb 0.37 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2jc1 h GLU 171 CO 0.01 0.23 0.27 0.87 -1.00 0.00 0.00 179.01 179.39 2jc1 h LYS 172 N 0.36 0.67 -0.26 2.33 1.57 -1.17 0.17 116.57 120.24 2jc1 h LYS 172 Ca 0.24 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2jc1 h LYS 172 Cb 0.25 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 2jc1 h LYS 172 CO -0.24 0.53 -0.06 0.52 -0.57 0.00 0.00 179.45 179.62 2jc1 h MET 173 N 0.64 0.01 0.01 3.15 2.86 -0.93 -1.44 114.93 119.23 2jc1 h MET 173 Ca 0.17 -0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.59 2jc1 h MET 173 Cb 0.05 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 2jc1 h MET 173 CO -0.03 0.00 -0.95 0.00 1.06 0.00 0.00 176.91 177.00 2jc1 h ALA 174 N 1.26 0.40 0.00 6.32 0.00 -1.10 0.20 119.26 126.34 2jc1 h ALA 174 Ca 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2jc1 h ALA 174 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jc1 h ALA 174 CO -0.26 0.87 0.00 1.28 0.00 0.00 0.00 179.25 181.14 2jc1 n LEU 175 N -3.69 0.03 -0.20 0.00 4.77 0.56 -4.76 117.00 113.72 2jc1 n LEU 175 Ca -0.06 -0.28 -0.06 0.00 -0.03 0.00 0.00 56.01 55.58 2jc1 n LEU 175 Cb 0.84 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.97 2jc1 n LEU 175 CO 0.50 0.01 1.11 0.22 -1.33 0.00 0.00 177.39 177.90 2jc1 h TYR 176 N 0.00 0.72 -0.26 -1.77 3.20 -1.32 0.28 116.97 117.82 2jc1 h TYR 176 Ca 0.00 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.72 2jc1 h TYR 176 Cb 0.02 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 2jc1 h TYR 176 CO 0.00 0.44 -0.51 0.22 -1.64 0.00 0.00 178.16 176.67 2jc1 h ASP 177 N 0.77 0.82 0.50 -2.11 3.58 -1.79 -1.13 116.42 117.06 2jc1 h ASP 177 Ca 0.22 -0.42 -0.02 0.00 0.42 0.00 0.00 57.03 57.23 2jc1 h ASP 177 Cb -0.06 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 2jc1 h ASP 177 CO -0.06 1.18 -0.36 0.58 -2.88 0.00 0.00 179.24 177.70 2jc1 h VAL 178 N 0.58 0.27 0.00 2.25 2.07 -1.68 -1.57 116.25 118.17 2jc1 h VAL 178 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2jc1 h VAL 178 Cb 1.09 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2jc1 h VAL 178 CO 0.11 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.33 2jc1 h VAL 179 N -0.84 0.00 0.08 2.57 -1.51 -0.33 0.59 116.25 116.81 2jc1 h VAL 179 Ca -0.05 -0.28 -0.28 0.00 -1.23 0.00 0.00 66.70 64.86 2jc1 h VAL 179 Cb 0.70 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 2jc1 h VAL 179 CO 0.02 0.00 -1.37 0.28 -1.23 0.00 0.00 177.57 175.27 2jc1 h SER 180 N 0.00 0.26 0.00 4.19 0.02 -1.04 -3.42 113.55 113.56 2jc1 h SER 180 Ca 0.00 -0.33 -0.20 0.00 -0.84 0.00 0.00 61.79 60.42 2jc1 h SER 180 Cb 0.30 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 2jc1 h SER 180 CO 0.00 1.27 -1.75 0.35 -1.14 0.00 0.00 176.83 175.56 2jc1 n THR 181 N -3.39 0.75 -0.09 -2.27 -2.24 -0.61 -4.67 114.28 101.76 2jc1 n THR 181 Ca -0.11 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 2jc1 n THR 181 Cb 1.02 -0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.57 -0.53 3.22 6.46 -1.12 -3.29 115.31 120.63 2jc1 h LEU 182 Ca -0.30 -0.42 0.05 0.00 -0.12 0.00 0.00 57.88 57.09 2jc1 h LEU 182 Cb 1.64 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 41.37 2jc1 h LEU 182 CO 0.01 0.87 0.27 -0.65 -0.62 0.00 0.00 178.44 178.31 2jc1 h PRO 183 N 0.28 0.50 -0.21 5.25 0.11 -1.80 -1.03 132.00 135.09 2jc1 h PRO 183 Ca 0.05 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 2jc1 h PRO 183 Cb 0.66 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2jc1 h PRO 183 CO 0.04 0.33 -0.14 0.37 -0.21 0.00 0.00 178.00 178.39 2jc1 h GLN 184 N 0.52 0.34 -0.25 1.05 -0.00 -1.88 -0.58 115.11 114.31 2jc1 h GLN 184 Ca 0.23 -0.09 -0.07 0.00 -0.00 0.00 0.00 58.65 58.72 2jc1 h GLN 184 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.58 2jc1 h GLN 184 CO -0.16 0.49 -0.11 0.28 0.00 0.00 0.00 178.83 179.32 2jc1 h VAL 185 N 0.32 1.30 -0.25 2.39 2.07 -1.49 -0.78 116.25 119.82 2jc1 h VAL 185 Ca 0.06 -1.19 -0.17 0.00 0.82 0.00 0.00 66.70 66.23 2jc1 h VAL 185 Cb 0.45 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2jc1 h VAL 185 CO 0.03 0.37 -0.52 0.58 0.02 0.00 0.00 177.57 178.05 2jc1 h VAL 186 N 0.25 1.30 0.00 2.57 2.07 -1.00 -3.37 116.25 118.07 2jc1 h VAL 186 Ca 0.06 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2jc1 h VAL 186 Cb 0.62 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2jc1 h VAL 186 CO 0.04 0.55 -0.50 0.23 0.02 0.00 0.00 177.57 177.91 2jc1 n MET 187 N -3.99 3.62 0.00 1.57 2.81 -0.24 -4.86 117.12 116.03 2jc1 n MET 187 Ca -0.03 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2jc1 n MET 187 Cb 0.60 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 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 1.26 3.27 0.33 3.03 0.00 -0.30 -2.17 105.19 110.60 2jc1 n GLY 188 Ca 0.02 -0.24 0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 5.36 0.00 0.81 1.61 4.64 -1.96 -2.10 113.55 121.91 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 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2jc1 n SER 190 N -3.05 0.58 -4.60 4.97 7.64 -0.92 -4.72 113.62 113.51 2jc1 n SER 190 Ca -0.03 0.62 -0.43 0.00 1.01 0.00 0.00 58.87 60.05 2jc1 n SER 190 Cb 0.09 -0.75 -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 -3.23 2.48 0.44 1.43 5.04 -0.79 -1.21 117.35 121.51 2jc1 s TYR 191 Ca 0.06 0.66 0.20 0.00 -2.44 0.00 0.00 57.07 55.55 2jc1 s TYR 191 Cb 0.10 -4.35 1.22 0.00 0.35 0.00 0.00 41.96 39.27 2jc1 s TYR 191 CO 0.41 -1.82 2.04 0.78 -1.34 0.00 0.00 175.55 175.61 2jc1 h GLY 192 N 12.08 0.00 0.76 8.97 0.00 -0.73 -3.24 103.07 120.91 2jc1 h GLY 192 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2jc1 h GLY 192 CO 1.11 0.00 -0.09 0.69 0.00 0.00 0.00 176.54 178.25 2jc1 n PHE 193 N -4.03 0.00 1.01 5.60 3.72 -1.26 -3.08 117.46 119.42 2jc1 n PHE 193 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 2jc1 n PHE 193 Cb 0.23 -0.14 0.62 0.00 -0.94 0.00 0.00 39.48 39.25 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 -0.84 0.01 -4.43 -1.08 10.64 -1.22 -3.36 117.38 117.10 2jc1 n GLN 194 Ca 0.16 -0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.99 2jc1 n GLN 194 Cb 0.27 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.03 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 -2.99 3.01 1.09 2.61 2.02 -1.18 -4.68 117.35 117.24 2jc1 s TYR 195 Ca 0.14 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.45 2jc1 s TYR 195 Cb 0.19 -1.93 0.24 0.00 -0.40 0.00 0.00 41.96 40.06 2jc1 s TYR 195 CO 0.53 -0.00 1.06 -1.54 -1.57 0.00 0.00 175.55 174.03 2jc1 s SER 196 N 0.24 1.54 0.24 2.29 1.04 -1.26 -4.66 113.70 113.13 2jc1 s SER 196 Ca -0.03 1.74 -0.05 0.00 0.48 0.00 0.00 55.95 58.08 2jc1 s SER 196 Cb -0.14 -2.40 0.32 0.00 0.10 0.00 0.00 66.02 63.91 2jc1 s SER 196 CO 0.03 -3.89 1.86 -0.65 0.98 0.00 0.00 173.24 171.57 2jc1 h PRO 197 N -2.41 0.98 -0.48 4.02 0.11 -1.91 0.17 132.00 132.48 2jc1 h PRO 197 Ca -0.56 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.57 2jc1 h PRO 197 Cb 1.31 -0.22 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 2jc1 h PRO 197 CO 0.47 0.65 0.08 0.78 -0.21 0.00 0.00 178.00 179.78 2jc1 h GLY 198 N 1.01 0.57 1.81 -0.55 0.00 -1.86 -1.17 103.07 102.89 2jc1 h GLY 198 Ca 0.37 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.56 2jc1 h GLY 198 CO -0.16 -0.07 -0.56 1.46 0.00 0.00 0.00 176.54 177.21 2jc1 h GLN 199 N 0.22 0.20 -0.15 4.80 4.20 -1.59 -2.38 115.11 120.40 2jc1 h GLN 199 Ca 0.24 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2jc1 h GLN 199 Cb 0.32 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2jc1 h GLN 199 CO -0.32 0.70 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.39 2jc1 h ARG 200 N 0.15 0.30 -0.78 1.46 2.43 -0.35 -1.27 114.38 116.33 2jc1 h ARG 200 Ca -0.00 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2jc1 h ARG 200 Cb 1.03 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 2jc1 h ARG 200 CO 0.08 0.61 0.48 -0.24 -1.51 0.00 0.00 179.97 179.40 2jc1 h VAL 201 N -0.03 1.21 -0.22 0.20 3.04 -1.18 -0.24 116.25 119.04 2jc1 h VAL 201 Ca 0.03 -0.45 0.03 0.00 -1.01 0.00 0.00 66.70 65.31 2jc1 h VAL 201 Cb 0.52 0.11 -0.03 0.00 -2.01 0.00 0.00 31.29 29.88 2jc1 h VAL 201 CO 0.02 0.22 0.03 -0.08 -1.01 0.00 0.00 177.57 176.75 2jc1 h GLU 202 N 1.06 0.10 -0.65 4.17 4.81 -1.36 -0.56 114.58 122.16 2jc1 h GLU 202 Ca 0.28 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 2jc1 h GLU 202 Cb -0.06 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2jc1 h GLU 202 CO -0.05 0.07 0.28 0.35 -0.73 0.00 0.00 179.01 178.92 2jc1 h PHE 203 N 0.11 0.97 -0.17 0.92 3.57 -0.81 0.33 116.94 121.86 2jc1 h PHE 203 Ca 0.10 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2jc1 h PHE 203 Cb 0.11 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2jc1 h PHE 203 CO -0.16 0.76 0.09 -0.07 -2.23 0.00 0.00 178.31 176.70 2jc1 h LEU 204 N 0.91 0.22 0.16 0.59 3.38 -0.78 -1.07 115.31 118.72 2jc1 h LEU 204 Ca 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2jc1 h LEU 204 Cb 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2jc1 h LEU 204 CO -0.02 0.25 -0.08 0.58 0.09 0.00 0.00 178.44 179.26 2jc1 h VAL 205 N 0.17 0.86 -0.12 1.22 2.07 -0.79 -0.95 116.25 118.72 2jc1 h VAL 205 Ca 0.06 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2jc1 h VAL 205 Cb 0.08 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2jc1 h VAL 205 CO -0.01 0.02 -0.04 0.78 0.02 0.00 0.00 177.57 178.35 2jc1 h ASN 206 N -0.26 0.16 -0.21 0.57 2.35 -0.94 -0.90 115.58 116.34 2jc1 h ASN 206 Ca -0.02 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 2jc1 h ASN 206 Cb 0.20 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2jc1 h ASN 206 CO 0.04 0.23 -0.41 0.74 -1.65 0.00 0.00 177.43 176.37 2jc1 h THR 207 N 0.17 1.32 -0.09 2.81 2.02 -0.87 -2.52 112.91 115.74 2jc1 h THR 207 Ca 0.04 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2jc1 h THR 207 Cb 0.18 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2jc1 h THR 207 CO 0.01 0.51 0.06 -0.25 0.37 0.00 0.00 175.52 176.21 2jc1 h TRP 208 N 0.34 0.11 0.00 3.16 2.91 -0.75 -2.43 115.95 119.30 2jc1 h TRP 208 Ca 0.01 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 2jc1 h TRP 208 Cb 1.01 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.62 2jc1 h TRP 208 CO 0.09 0.08 -0.06 0.87 -1.03 0.00 0.00 178.44 178.39 2jc1 h LYS 209 N 0.11 0.00 0.00 2.65 1.57 -1.21 -2.79 116.57 116.91 2jc1 h LYS 209 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2jc1 h LYS 209 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jc1 h LYS 209 CO -0.01 0.06 0.00 0.66 -0.57 0.00 0.00 179.45 179.60 2jc1 h SER 210 N 0.00 0.00 -3.32 0.86 4.64 -0.97 -3.44 113.55 111.33 2jc1 h SER 210 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2jc1 h SER 210 Cb 0.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 2jc1 h SER 210 CO 0.01 0.00 -0.15 -0.54 -0.87 0.00 0.00 176.83 175.27 2jc1 s LYS 211 N -3.26 3.82 -0.02 4.77 -0.14 -1.05 -5.01 119.74 118.84 2jc1 s LYS 211 Ca 0.06 0.27 -0.24 0.00 -1.36 0.00 0.00 55.97 54.70 2jc1 s LYS 211 Cb 0.10 -2.81 -0.20 0.00 -1.68 0.00 0.00 37.83 33.24 2jc1 s LYS 211 CO 0.49 0.42 1.18 0.87 -0.76 0.00 0.00 175.35 177.56 2jc1 h LYS 212 N 3.06 0.15 -2.86 1.68 1.57 -1.88 -3.39 116.57 114.90 2jc1 h LYS 212 Ca -0.48 -0.11 -0.61 0.00 -1.87 0.00 0.00 60.65 57.59 2jc1 h LYS 212 Cb 1.18 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 2jc1 h LYS 212 CO 0.68 0.72 -0.76 -0.80 -0.57 0.00 0.00 179.45 178.72 2jc1 s ASN 213 N -6.03 3.39 0.39 0.86 0.01 -1.26 -5.08 114.94 107.22 2jc1 s ASN 213 Ca -0.16 -3.01 -0.27 0.00 -0.71 0.00 0.00 52.86 48.72 2jc1 s ASN 213 Cb 0.02 -1.02 -0.09 0.00 0.41 0.00 0.00 41.25 40.57 2jc1 s ASN 213 CO 0.72 -0.20 1.32 -2.16 -1.51 0.00 0.00 177.10 175.27 2jc1 s PRO 214 N -0.12 4.04 0.01 -0.60 0.04 -1.26 0.17 135.00 137.28 2jc1 s PRO 214 Ca 0.23 2.21 0.03 0.00 0.04 0.00 0.00 61.00 63.51 2jc1 s PRO 214 Cb -0.13 -2.83 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 2jc1 s PRO 214 CO -0.08 -0.45 -0.09 1.41 0.04 0.00 0.00 177.00 177.82 2jc1 s MET 215 N -2.15 0.67 0.04 4.56 1.75 -0.14 -4.66 119.30 119.36 2jc1 s MET 215 Ca 0.55 -0.48 -0.01 0.00 -1.25 0.00 0.00 55.69 54.50 2jc1 s MET 215 Cb -0.39 -0.61 -0.03 0.00 2.84 0.00 0.00 34.83 36.63 2jc1 s MET 215 CO 0.51 0.16 -0.01 0.20 -0.65 0.00 0.00 175.02 175.23 2jc1 s GLY 216 N -0.69 0.36 -0.04 2.11 0.00 -0.29 -0.29 107.32 108.48 2jc1 s GLY 216 Ca -0.00 -0.93 -0.24 0.00 0.00 0.00 0.00 44.72 43.54 2jc1 s GLY 216 CO 0.00 -1.03 0.53 -0.11 0.00 0.00 0.00 173.10 172.49 2jc1 s PHE 217 N -3.00 -0.47 -0.04 1.90 -0.71 -0.22 0.00 117.98 115.44 2jc1 s PHE 217 Ca -0.02 0.81 -0.09 0.00 -1.04 0.00 0.00 56.93 56.59 2jc1 s PHE 217 Cb 0.01 0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 2jc1 s PHE 217 CO -0.07 -0.52 0.26 -1.54 -1.34 0.00 0.00 175.22 172.02 2jc1 s SER 218 N -1.20 6.55 -0.22 1.98 1.04 -1.26 -0.40 113.70 120.18 2jc1 s SER 218 Ca -0.12 0.64 -0.03 0.00 0.48 0.00 0.00 55.95 56.93 2jc1 s SER 218 Cb -0.02 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2jc1 s SER 218 CO 0.07 0.33 -0.07 -0.47 0.98 0.00 0.00 173.24 174.09 2jc1 s TYR 219 N -1.15 2.96 -0.42 5.02 5.04 -0.32 -4.53 117.35 123.96 2jc1 s TYR 219 Ca 0.22 -1.19 -0.16 0.00 -2.44 0.00 0.00 57.07 53.50 2jc1 s TYR 219 Cb -0.14 -2.07 0.02 0.00 0.35 0.00 0.00 41.96 40.12 2jc1 s TYR 219 CO 0.11 -0.63 0.38 0.34 -1.34 0.00 0.00 175.55 174.41 2jc1 s ASP 220 N 1.42 6.16 0.06 4.32 2.15 -1.26 -4.06 116.67 125.45 2jc1 s ASP 220 Ca 0.04 -0.80 -0.29 0.00 0.43 0.00 0.00 52.55 51.93 2jc1 s ASP 220 Cb -0.15 -2.20 -0.05 0.00 -0.30 0.00 0.00 42.92 40.23 2jc1 s ASP 220 CO -0.05 -0.53 0.94 -0.89 -0.17 0.00 0.00 175.17 174.47 2jc1 s THR 221 N 1.92 4.68 -0.19 1.71 2.01 -1.26 -1.19 115.64 123.32 2jc1 s THR 221 Ca 0.09 2.00 -0.29 0.00 0.31 0.00 0.00 61.69 63.80 2jc1 s THR 221 Cb -0.18 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 2jc1 s THR 221 CO 0.12 0.26 1.65 -0.60 -0.69 0.00 0.00 174.62 175.35 2jc1 s ARG 222 N 0.40 3.83 -1.14 4.92 3.52 -0.38 -3.80 118.95 126.30 2jc1 s ARG 222 Ca 0.48 1.76 -0.20 0.00 -0.13 0.00 0.00 55.73 57.64 2jc1 s ARG 222 Cb -0.22 -4.04 -0.01 0.00 -1.56 0.00 0.00 34.95 29.12 2jc1 s ARG 222 CO 0.28 -1.25 0.79 0.00 -0.81 0.00 0.00 175.30 174.31 2jc1 h PHE 224 N -1.86 -0.21 -0.92 0.00 3.04 -1.96 -1.38 116.94 113.64 2jc1 h PHE 224 Ca -0.66 0.06 0.14 0.00 3.98 0.00 0.00 57.97 61.49 2jc1 h PHE 224 Cb 1.36 0.20 -0.09 0.00 2.56 0.00 0.00 35.95 39.98 2jc1 h PHE 224 CO 0.34 -0.26 0.53 -0.44 -2.02 0.00 0.00 178.31 176.46 2jc1 h ASP 225 N 0.05 0.71 0.74 0.41 3.32 -1.91 -0.30 116.42 119.44 2jc1 h ASP 225 Ca 0.36 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 2jc1 h ASP 225 Cb 0.60 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 2jc1 h ASP 225 CO -0.68 0.33 -0.13 0.28 -1.72 0.00 0.00 179.24 177.32 2jc1 h SER 226 N 0.78 0.00 1.25 6.45 0.02 -1.55 -2.48 113.55 118.01 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 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2jc1 h SER 226 CO -0.33 0.13 -0.17 0.35 -1.14 0.00 0.00 176.83 175.67 2jc1 n THR 227 N -3.36 0.46 -2.36 -2.27 -2.24 -0.14 -4.72 114.28 99.65 2jc1 n THR 227 Ca -0.00 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 2jc1 n THR 227 Cb 0.32 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 2jc1 n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jc1 s VAL 228 N -3.10 4.11 0.48 2.28 1.01 -1.08 -4.81 120.40 119.29 2jc1 s VAL 228 Ca 0.10 1.41 0.05 0.00 0.00 0.00 0.00 61.98 63.54 2jc1 s VAL 228 Cb 0.13 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2jc1 s VAL 228 CO 0.62 -0.06 0.67 0.42 0.00 0.00 0.00 175.10 176.75 2jc1 s THR 229 N 2.95 2.82 0.22 3.92 -4.23 -1.26 -3.94 115.64 116.12 2jc1 s THR 229 Ca 0.58 -0.86 -0.08 0.00 -1.18 0.00 0.00 61.69 60.15 2jc1 s THR 229 Cb -0.25 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 70.78 2jc1 s THR 229 CO 0.20 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.02 2jc1 h GLU 230 N 0.38 0.73 -0.48 3.99 4.81 -1.88 -2.03 114.58 120.11 2jc1 h GLU 230 Ca -0.40 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 58.88 2jc1 h GLU 230 Cb 1.29 -0.17 -0.10 0.00 0.63 0.00 0.00 28.75 30.41 2jc1 h GLU 230 CO 0.48 0.49 -0.16 -0.97 -0.73 0.00 0.00 179.01 178.12 2jc1 h ASN 231 N 0.76 -0.56 -0.94 1.04 -1.24 -1.97 -0.71 115.58 111.95 2jc1 h ASN 231 Ca 0.32 0.16 0.01 0.00 0.71 0.00 0.00 56.30 57.49 2jc1 h ASN 231 Cb 0.18 0.34 -0.05 0.00 0.73 0.00 0.00 38.32 39.53 2jc1 h ASN 231 CO -0.18 -0.19 0.61 0.44 -1.29 0.00 0.00 177.43 176.82 2jc1 h ASP 232 N -0.04 1.09 0.03 1.15 3.32 -1.77 0.16 116.42 120.36 2jc1 h ASP 232 Ca 0.23 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 2jc1 h ASP 232 Cb 0.40 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2jc1 h ASP 232 CO -0.52 0.80 -0.53 0.40 -1.72 0.00 0.00 179.24 177.67 2jc1 h ILE 233 N 1.28 1.32 -0.24 0.35 2.04 -0.88 0.77 117.51 122.15 2jc1 h ILE 233 Ca 0.34 -1.77 -0.19 0.00 1.00 0.00 0.00 64.86 64.25 2jc1 h ILE 233 Cb -0.13 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2jc1 h ILE 233 CO -0.07 0.55 -0.58 0.03 0.00 0.00 0.00 178.15 178.08 2jc1 h ARG 234 N 0.42 0.81 -0.34 2.37 3.08 -0.89 -1.79 114.38 118.04 2jc1 h ARG 234 Ca 0.01 -0.55 0.02 0.00 0.07 0.00 0.00 59.98 59.53 2jc1 h ARG 234 Cb 1.06 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 2jc1 h ARG 234 CO 0.10 1.18 0.17 0.28 -1.07 0.00 0.00 179.97 180.63 2jc1 h VAL 235 N 0.56 0.99 -0.57 2.04 2.07 -0.48 -0.80 116.25 120.06 2jc1 h VAL 235 Ca -0.01 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.49 2jc1 h VAL 235 Cb 1.19 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 2jc1 h VAL 235 CO 0.13 0.07 0.17 -0.33 0.02 0.00 0.00 177.57 177.62 2jc1 h GLU 236 N 0.36 0.32 -0.93 1.57 5.08 -0.80 -1.89 114.58 118.29 2jc1 h GLU 236 Ca 0.14 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2jc1 h GLU 236 Cb 0.05 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2jc1 h GLU 236 CO -0.09 0.21 0.61 1.49 -1.00 0.00 0.00 179.01 180.23 2jc1 h GLU 237 N 0.33 1.23 -0.02 2.33 4.81 -0.59 -1.75 114.58 120.91 2jc1 h GLU 237 Ca 0.29 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 2jc1 h GLU 237 Cb 0.38 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2jc1 h GLU 237 CO -0.32 0.82 -0.25 0.66 -0.73 0.00 0.00 179.01 179.18 2jc1 h SER 238 N 1.26 0.03 -0.08 1.04 4.64 -0.39 0.12 113.55 120.17 2jc1 h SER 238 Ca 0.34 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 2jc1 h SER 238 Cb -0.14 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2jc1 h SER 238 CO -0.07 0.29 -0.02 0.40 -0.87 0.00 0.00 176.83 176.56 2jc1 h ILE 239 N 0.03 1.29 -0.66 0.95 2.04 -0.86 -2.59 117.51 117.71 2jc1 h ILE 239 Ca 0.00 -0.94 0.09 0.00 1.00 0.00 0.00 64.86 65.01 2jc1 h ILE 239 Cb 0.47 1.76 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 2jc1 h ILE 239 CO 0.03 0.26 0.30 1.88 0.00 0.00 0.00 178.15 180.63 2jc1 h TYR 240 N -0.18 0.53 0.00 1.37 0.05 -0.66 -2.06 116.97 116.03 2jc1 h TYR 240 Ca 0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2jc1 h TYR 240 Cb 0.43 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.03 2jc1 h TYR 240 CO 0.05 0.18 0.00 1.04 -1.05 0.00 0.00 178.16 178.38 2jc1 n GLN 241 N -4.91 0.20 0.23 4.88 1.13 0.35 -1.79 117.38 117.47 2jc1 n GLN 241 Ca 0.10 0.44 0.07 0.00 -1.94 0.00 0.00 57.00 55.68 2jc1 n GLN 241 Cb 0.27 -1.89 0.56 0.00 0.11 0.00 0.00 30.24 29.28 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 -1.87 6.46 0.15 0.00 -1.08 0.40 -4.97 116.67 115.76 2jc1 s ASP 244 Ca 0.74 0.41 0.07 0.00 -0.52 0.00 0.00 52.55 53.25 2jc1 s ASP 244 Cb -0.32 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.55 2jc1 s ASP 244 CO 0.49 -1.41 -0.16 -0.76 0.52 0.00 0.00 175.17 173.86 2jc1 s LEU 245 N 4.99 2.44 0.31 -1.34 1.43 -1.26 -1.38 118.68 123.87 2jc1 s LEU 245 Ca 0.50 -0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 2jc1 s LEU 245 Cb -0.09 -0.67 -0.10 0.00 0.03 0.00 0.00 46.19 45.36 2jc1 s LEU 245 CO 0.29 -0.11 1.36 0.00 0.23 0.00 0.00 176.35 178.12 2jc1 s ALA 246 N -2.26 3.54 0.31 4.21 0.00 -1.26 -4.87 121.76 121.43 2jc1 s ALA 246 Ca 0.14 1.30 0.07 0.00 0.00 0.00 0.00 51.96 53.47 2jc1 s ALA 246 Cb -0.04 -3.51 0.84 0.00 0.00 0.00 0.00 23.12 20.41 2jc1 s ALA 246 CO 0.05 -0.70 1.70 -1.35 0.00 0.00 0.00 175.76 175.46 2jc1 h PRO 247 N 3.91 0.44 -0.85 0.00 0.11 -2.00 0.70 132.00 134.31 2jc1 h PRO 247 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jc1 h PRO 247 Cb 1.22 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2jc1 h PRO 247 CO 0.69 0.29 0.53 0.93 -0.21 0.00 0.00 178.00 180.23 2jc1 h GLU 248 N 0.45 1.15 -0.55 1.05 5.08 -2.00 -2.05 114.58 117.71 2jc1 h GLU 248 Ca 0.62 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.84 2jc1 h GLU 248 Cb 1.22 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2jc1 h GLU 248 CO -0.53 0.79 0.16 0.00 -1.00 0.00 0.00 179.01 178.44 2jc1 h ALA 249 N 1.41 0.73 -0.58 3.43 0.00 -1.25 -1.00 119.26 122.00 2jc1 h ALA 249 Ca 0.31 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2jc1 h ALA 249 Cb -0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 2jc1 h ALA 249 CO -0.06 0.40 0.31 0.00 0.00 0.00 0.00 179.25 179.90 2jc1 h ARG 250 N 0.78 0.58 -0.22 0.00 3.08 -1.04 -0.29 114.38 117.27 2jc1 h ARG 250 Ca 0.18 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2jc1 h ARG 250 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2jc1 h ARG 250 CO -0.00 0.38 -0.12 0.37 -1.07 0.00 0.00 179.97 179.53 2jc1 h GLN 251 N 0.60 0.47 -0.89 0.04 5.75 -1.20 -1.79 115.11 118.09 2jc1 h GLN 251 Ca 0.25 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2jc1 h GLN 251 Cb 0.14 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 2jc1 h GLN 251 CO -0.16 0.76 0.55 0.00 -2.65 0.00 0.00 178.83 177.33 2jc1 h ALA 252 N 0.70 1.13 -0.55 3.38 0.00 -1.05 -1.00 119.26 121.88 2jc1 h ALA 252 Ca 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2jc1 h ALA 252 Cb 0.63 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2jc1 h ALA 252 CO 0.04 0.57 -0.10 0.82 0.00 0.00 0.00 179.25 180.58 2jc1 h ILE 253 N 1.21 1.27 -0.29 0.00 2.04 -0.96 0.31 117.51 121.08 2jc1 h ILE 253 Ca 0.32 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2jc1 h ILE 253 Cb -0.08 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2jc1 h ILE 253 CO -0.06 0.44 0.19 0.50 0.00 0.00 0.00 178.15 179.22 2jc1 h LYS 254 N 0.91 0.39 -0.07 2.37 3.64 -1.09 -0.96 116.57 121.76 2jc1 h LYS 254 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2jc1 h LYS 254 Cb 0.66 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2jc1 h LYS 254 CO 0.05 0.27 0.02 1.03 -2.27 0.00 0.00 179.45 178.56 2jc1 h SER 255 N 0.39 0.10 -0.91 4.20 0.87 -0.90 -1.66 113.55 115.64 2jc1 h SER 255 Ca 0.11 -0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.53 2jc1 h SER 255 Cb -0.03 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 2jc1 h SER 255 CO -0.02 0.27 0.58 -0.07 -0.53 0.00 0.00 176.83 177.06 2jc1 h LEU 256 N -0.06 0.94 0.28 2.23 3.38 -0.34 -0.14 115.31 121.59 2jc1 h LEU 256 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2jc1 h LEU 256 Cb 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2jc1 h LEU 256 CO -0.00 0.61 -0.13 0.74 0.09 0.00 0.00 178.44 179.75 2jc1 h THR 257 N 1.08 0.73 -0.51 0.22 2.02 -0.92 -0.09 112.91 115.44 2jc1 h THR 257 Ca 0.39 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.43 2jc1 h THR 257 Cb 0.12 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2jc1 h THR 257 CO -0.16 0.00 -0.15 -0.33 0.37 0.00 0.00 175.52 175.26 2jc1 h GLU 258 N -0.39 0.99 0.00 6.66 4.39 -1.01 -0.77 114.58 124.45 2jc1 h GLU 258 Ca -0.04 -0.38 -0.10 0.00 0.34 0.00 0.00 59.36 59.18 2jc1 h GLU 258 Cb 0.30 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2jc1 h GLU 258 CO 0.06 1.06 -1.58 0.54 -1.16 0.00 0.00 179.01 177.93 2jc1 n ARG 259 N -4.13 0.64 0.05 2.33 1.74 -0.09 -4.61 116.66 112.58 2jc1 n ARG 259 Ca 0.01 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2jc1 n ARG 259 Cb 0.42 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.64 0.20 -0.16 0.55 7.94 -0.20 -0.14 117.00 122.54 2jc1 n LEU 260 Ca -0.08 0.16 -0.10 0.00 -1.11 0.00 0.00 56.01 54.88 2jc1 n LEU 260 Cb 0.72 0.04 0.02 0.00 0.53 0.00 0.00 43.42 44.73 2jc1 n LEU 260 CO 0.43 -0.51 0.71 1.88 -1.11 0.00 0.00 177.39 178.78 2jc1 h TYR 261 N 0.00 1.12 -0.00 1.96 0.05 -0.99 -2.92 116.97 116.19 2jc1 h TYR 261 Ca 0.00 -0.25 -0.10 0.00 0.05 0.00 0.00 58.73 58.43 2jc1 h TYR 261 Cb 0.24 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 2jc1 h TYR 261 CO 0.00 1.07 -0.46 -0.84 -1.05 0.00 0.00 178.16 176.87 2jc1 h ILE 262 N 0.87 1.33 0.00 -2.88 3.07 -1.39 -3.42 117.51 115.09 2jc1 h ILE 262 Ca 0.12 -1.59 0.00 0.00 1.55 0.00 0.00 64.86 64.94 2jc1 h ILE 262 Cb 0.74 1.85 0.00 0.00 -0.27 0.00 0.00 36.82 39.14 2jc1 h ILE 262 CO 0.06 0.45 0.00 0.61 -1.05 0.00 0.00 178.15 178.22 2jc1 n GLY 263 N -0.20 -2.52 0.00 0.16 0.00 -1.10 -3.87 105.19 97.66 2jc1 n GLY 263 Ca -0.02 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.75 1.50 3.78 -0.02 0.00 -0.36 -4.07 105.19 105.26 2jc1 n GLY 264 Ca 0.00 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.96 3.53 -0.20 1.61 0.04 -1.26 -1.07 135.00 135.69 2jc1 s PRO 265 Ca 0.00 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 2jc1 s PRO 265 Cb 0.00 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 2jc1 s PRO 265 CO 0.00 -0.70 -0.10 -0.51 0.04 0.00 0.00 177.00 175.74 2jc1 s LEU 266 N -3.57 2.67 -0.10 -3.56 1.43 0.03 -2.72 118.68 112.86 2jc1 s LEU 266 Ca 0.70 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2jc1 s LEU 266 Cb -0.23 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2jc1 s LEU 266 CO 0.27 0.01 -0.16 -0.89 0.23 0.00 0.00 176.35 175.81 2jc1 s THR 267 N 1.25 2.83 1.00 5.49 2.01 0.32 0.08 115.64 128.61 2jc1 s THR 267 Ca 0.03 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 2jc1 s THR 267 Cb -0.14 -2.15 0.21 0.00 0.01 0.00 0.00 72.50 70.43 2jc1 s THR 267 CO -0.04 0.55 1.26 0.54 -0.69 0.00 0.00 174.62 176.24 2jc1 s ASN 268 N 0.05 2.80 0.62 3.53 2.20 0.13 -1.33 114.94 122.95 2jc1 s ASN 268 Ca -0.06 0.41 0.39 0.00 -0.94 0.00 0.00 52.86 52.65 2jc1 s ASN 268 Cb -0.15 -0.55 2.05 0.00 -2.00 0.00 0.00 41.25 40.61 2jc1 s ASN 268 CO 0.05 -2.94 2.25 0.77 -2.94 0.00 0.00 177.10 174.29 2jc1 h SER 269 N -1.78 0.00 -0.29 3.54 4.64 -1.77 -1.82 113.55 116.08 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 0.40 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.67 2jc1 n LYS 270 N -3.24 1.97 -0.71 4.77 5.02 -1.26 -4.93 118.16 119.77 2jc1 n LYS 270 Ca -0.02 -1.47 0.00 0.00 -2.02 0.00 0.00 58.31 54.79 2jc1 n LYS 270 Cb 0.14 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.23 0.68 3.84 0.72 0.00 -0.68 -5.06 105.19 105.91 2jc1 n GLY 271 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.29 4.04 -0.24 1.61 -0.21 -1.26 -4.80 119.66 118.51 2jc1 s GLN 272 Ca 0.00 0.57 -0.29 0.00 0.02 0.00 0.00 55.36 55.66 2jc1 s GLN 272 Cb 0.00 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 31.04 2jc1 s GLN 272 CO 0.00 0.49 1.19 1.21 -2.12 0.00 0.00 175.29 176.06 2jc1 s ASN 273 N -1.62 6.91 0.10 5.90 3.04 -1.26 -0.69 114.94 127.30 2jc1 s ASN 273 Ca 0.37 1.39 0.22 0.00 0.04 0.00 0.00 52.86 54.88 2jc1 s ASN 273 Cb -0.16 -2.54 -0.12 0.00 -1.54 0.00 0.00 41.25 36.89 2jc1 s ASN 273 CO 0.19 -0.85 0.83 0.00 -3.04 0.00 0.00 177.10 174.24 2jc1 n GLY 275 N 1.24 0.21 2.84 0.00 0.00 -1.18 -1.21 105.19 107.08 2jc1 n GLY 275 Ca -0.01 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.83 0.07 -0.14 1.61 6.14 -0.02 -0.79 117.35 120.38 2jc1 s TYR 276 Ca 0.00 0.04 -0.06 0.00 0.64 0.00 0.00 57.07 57.69 2jc1 s TYR 276 Cb 0.00 -0.14 -0.04 0.00 0.42 0.00 0.00 41.96 42.21 2jc1 s TYR 276 CO 0.00 -0.04 0.06 0.50 0.64 0.00 0.00 175.55 176.71 2jc1 s ARG 277 N 0.44 3.60 -0.21 4.97 3.52 -0.24 -1.29 118.95 129.75 2jc1 s ARG 277 Ca -0.04 -0.31 0.15 0.00 -0.13 0.00 0.00 55.73 55.40 2jc1 s ARG 277 Cb -0.06 -3.10 0.46 0.00 -1.56 0.00 0.00 34.95 30.69 2jc1 s ARG 277 CO -0.01 0.50 1.18 0.54 -0.81 0.00 0.00 175.30 176.69 2jc1 n ARG 278 N 2.83 1.96 -2.82 5.12 1.74 0.13 -1.22 116.66 124.40 2jc1 n ARG 278 Ca -0.18 -3.38 -0.08 0.00 -0.77 0.00 0.00 57.85 53.45 2jc1 n ARG 278 Cb 0.53 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.44 4.13 0.07 0.00 6.06 -0.96 -4.59 118.95 121.22 2jc1 s ARG 280 Ca 0.15 2.58 -0.30 0.00 -2.50 0.00 0.00 55.73 55.66 2jc1 s ARG 280 Cb -0.00 -3.07 -0.05 0.00 0.06 0.00 0.00 34.95 31.88 2jc1 s ARG 280 CO 0.11 -0.72 1.03 0.00 -2.50 0.00 0.00 175.30 173.23 2jc1 s ALA 281 N 0.98 3.26 -0.46 6.12 0.00 -1.26 -4.77 121.76 125.63 2jc1 s ALA 281 Ca 0.72 0.65 0.25 0.00 0.00 0.00 0.00 51.96 53.58 2jc1 s ALA 281 Cb -0.49 -3.34 0.58 0.00 0.00 0.00 0.00 23.12 19.87 2jc1 s ALA 281 CO 0.35 -0.20 1.69 0.66 0.00 0.00 0.00 175.76 178.25 2jc1 h SER 282 N 6.18 0.00 -1.61 0.00 4.64 -1.91 -3.36 113.55 117.49 2jc1 h SER 282 Ca -0.42 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.27 2jc1 h SER 282 Cb 1.21 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.92 2jc1 h SER 282 CO 0.75 0.00 -0.36 0.61 -0.87 0.00 0.00 176.83 176.96 2jc1 n GLY 283 N 1.00 5.92 3.43 -0.77 0.00 0.49 -4.34 105.19 110.92 2jc1 n GLY 283 Ca 0.04 -2.71 -0.21 0.00 0.00 0.00 0.00 46.02 43.14 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 -5.43 1.65 0.38 1.61 -7.23 -1.11 -4.38 120.40 105.88 2jc1 s VAL 284 Ca 0.49 -2.12 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 2jc1 s VAL 284 Cb 0.41 -2.47 0.27 0.00 0.56 0.00 0.00 36.38 35.15 2jc1 s VAL 284 CO -0.23 -0.29 2.02 0.25 -0.31 0.00 0.00 175.10 176.54 2jc1 h LEU 285 N 2.26 0.62 -0.81 1.32 5.85 -1.79 -2.37 115.31 120.39 2jc1 h LEU 285 Ca -0.40 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2jc1 h LEU 285 Cb 1.23 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2jc1 h LEU 285 CO 0.67 0.44 0.00 0.35 -0.34 0.00 0.00 178.44 179.56 2jc1 n THR 286 N -4.46 0.06 0.12 1.05 -2.24 -1.26 -4.39 114.28 103.17 2jc1 n THR 286 Ca 0.06 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2jc1 n THR 286 Cb 0.09 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 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 1.83 0.46 0.03 4.28 2.02 -1.70 0.53 112.91 120.36 2jc1 h THR 287 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jc1 h THR 287 Cb 0.39 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2jc1 h THR 287 CO 0.00 0.00 -0.02 -1.28 0.37 0.00 0.00 175.52 174.59 2jc1 h SER 288 N -0.46 -0.04 -0.25 4.18 0.87 -1.77 -0.36 113.55 115.73 2jc1 h SER 288 Ca 0.02 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2jc1 h SER 288 Cb 0.47 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2jc1 h SER 288 CO -0.12 0.28 0.10 0.00 -0.53 0.00 0.00 176.83 176.56 2jc1 h GLY 290 N 0.26 0.44 0.96 0.00 0.00 0.02 -1.17 103.07 103.57 2jc1 h GLY 290 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2jc1 h GLY 290 CO -0.01 0.04 0.18 3.43 0.00 0.00 0.00 176.54 180.19 2jc1 h ASN 291 N 0.28 0.65 0.09 0.19 2.35 -0.97 -1.63 115.58 116.55 2jc1 h ASN 291 Ca 0.15 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2jc1 h ASN 291 Cb 0.11 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2jc1 h ASN 291 CO -0.15 0.65 -0.05 0.74 -1.65 0.00 0.00 177.43 176.98 2jc1 h THR 292 N 0.62 0.95 -0.51 2.81 2.02 -0.99 0.18 112.91 117.99 2jc1 h THR 292 Ca 0.16 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2jc1 h THR 292 Cb 0.20 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2jc1 h THR 292 CO -0.01 0.04 0.26 -0.07 0.37 0.00 0.00 175.52 176.11 2jc1 h LEU 293 N -0.20 0.37 -0.18 2.58 3.38 -1.21 -0.85 115.31 119.21 2jc1 h LEU 293 Ca -0.01 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2jc1 h LEU 293 Cb 0.16 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jc1 h LEU 293 CO 0.02 0.26 -0.30 0.74 0.09 0.00 0.00 178.44 179.25 2jc1 h THR 294 N 0.50 1.34 -0.40 0.22 2.02 -1.15 0.10 112.91 115.55 2jc1 h THR 294 Ca 0.23 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.90 2jc1 h THR 294 Cb 0.13 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2jc1 h THR 294 CO -0.16 0.46 0.23 0.00 0.37 0.00 0.00 175.52 176.42 2jc1 h TYR 296 N 0.47 0.91 0.09 0.00 5.03 -1.05 -0.08 116.97 122.34 2jc1 h TYR 296 Ca 0.16 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 2jc1 h TYR 296 Cb 0.02 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.02 2jc1 h TYR 296 CO -0.08 0.71 -0.04 1.25 -1.32 0.00 0.00 178.16 178.69 2jc1 h LEU 297 N 0.85 -0.10 -0.39 2.82 5.85 -0.68 -0.22 115.31 123.44 2jc1 h LEU 297 Ca 0.21 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 2jc1 h LEU 297 Cb 0.17 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2jc1 h LEU 297 CO -0.02 -0.05 -0.12 0.11 -0.34 0.00 0.00 178.44 178.02 2jc1 h LYS 298 N -0.14 0.76 -0.36 1.25 1.57 -1.06 -2.27 116.57 116.33 2jc1 h LYS 298 Ca -0.01 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 2jc1 h LYS 298 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2jc1 h LYS 298 CO 0.02 0.91 -0.08 0.00 -0.57 0.00 0.00 179.45 179.73 2jc1 h ALA 299 N 0.83 0.49 -0.59 3.86 0.00 -1.03 0.44 119.26 123.25 2jc1 h ALA 299 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jc1 h ALA 299 Cb 0.65 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2jc1 h ALA 299 CO 0.04 0.34 0.32 0.77 0.00 0.00 0.00 179.25 180.72 2jc1 h SER 300 N 0.48 0.74 -0.56 0.00 0.02 -0.96 -0.01 113.55 113.25 2jc1 h SER 300 Ca 0.09 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2jc1 h SER 300 Cb 0.59 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2jc1 h SER 300 CO 0.03 0.62 0.12 0.00 -1.14 0.00 0.00 176.83 176.46 2jc1 h ALA 301 N 1.15 0.74 -0.68 3.77 0.00 -1.35 -3.05 119.26 119.83 2jc1 h ALA 301 Ca 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jc1 h ALA 301 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2jc1 h ALA 301 CO -0.03 0.46 0.30 0.00 0.00 0.00 0.00 179.25 179.98 2jc1 h ALA 302 N 1.01 1.24 -0.43 0.00 0.00 -0.50 -1.69 119.26 118.90 2jc1 h ALA 302 Ca 0.17 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jc1 h ALA 302 Cb 0.37 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2jc1 h ALA 302 CO 0.01 0.57 0.19 0.00 0.00 0.00 0.00 179.25 180.02 2jc1 h ARG 304 N 0.39 0.89 -0.41 0.00 3.08 -1.37 -0.67 114.38 116.28 2jc1 h ARG 304 Ca 0.19 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.16 2jc1 h ARG 304 Cb 0.13 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 2jc1 h ARG 304 CO -0.15 0.66 0.23 0.00 -1.07 0.00 0.00 179.97 179.64 2jc1 h ALA 305 N 1.18 0.52 0.00 0.04 0.00 -0.99 -2.08 119.26 117.93 2jc1 h ALA 305 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jc1 h ALA 305 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jc1 h ALA 305 CO -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2jc1 n ALA 306 N -2.26 2.27 -2.69 0.00 0.00 0.07 -4.89 120.51 113.01 2jc1 n ALA 306 Ca 0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 2jc1 n ALA 306 Cb 0.07 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 -3.22 -2.02 0.00 5.02 -0.37 -4.87 118.16 111.39 2jc1 n LYS 307 Ca 0.11 0.94 -0.41 0.00 -2.02 0.00 0.00 58.31 56.93 2jc1 n LYS 307 Cb 0.21 -5.67 -0.02 0.00 -0.02 0.00 0.00 35.03 29.54 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 -6.19 4.39 -0.16 -0.35 1.02 -0.53 -5.00 118.68 111.86 2jc1 s LEU 308 Ca 0.15 2.69 -0.09 0.00 0.02 0.00 0.00 54.13 56.90 2jc1 s LEU 308 Cb -0.07 -3.63 -0.05 0.00 0.02 0.00 0.00 46.19 42.47 2jc1 s LEU 308 CO 0.18 -0.68 0.15 -1.10 0.02 0.00 0.00 176.35 174.93 2jc1 s GLN 309 N -0.75 3.89 -1.27 1.70 -1.52 -1.26 -4.52 119.66 115.93 2jc1 s GLN 309 Ca 0.57 -0.14 -0.01 0.00 -1.95 0.00 0.00 55.36 53.82 2jc1 s GLN 309 Cb -0.42 -3.32 -0.00 0.00 -0.22 0.00 0.00 33.01 29.04 2jc1 s GLN 309 CO 0.46 0.49 0.75 -3.47 -0.25 0.00 0.00 175.29 173.28 2jc1 n ASP 310 N 2.87 -1.78 -4.73 5.90 2.03 -1.26 -1.11 116.55 118.48 2jc1 n ASP 310 Ca -0.17 -0.80 -0.41 0.00 0.52 0.00 0.00 54.79 53.92 2jc1 n ASP 310 Cb 0.53 -4.22 -0.03 0.00 -0.72 0.00 0.00 41.12 36.68 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 0.26 2.05 0.24 0.00 2.01 0.84 -4.99 115.64 116.05 2jc1 s THR 312 Ca 0.58 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 2jc1 s THR 312 Cb -0.36 -1.84 -0.08 0.00 0.01 0.00 0.00 72.50 70.22 2jc1 s THR 312 CO 0.37 0.54 0.68 -0.04 -0.69 0.00 0.00 174.62 175.48 2jc1 s MET 313 N 1.20 4.08 -0.11 4.92 -1.94 -1.26 -1.15 119.30 125.04 2jc1 s MET 313 Ca 0.03 0.69 -0.01 0.00 -1.71 0.00 0.00 55.69 54.68 2jc1 s MET 313 Cb -0.13 -2.72 0.03 0.00 2.01 0.00 0.00 34.83 34.02 2jc1 s MET 313 CO -0.11 0.32 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.04 2jc1 s LEU 314 N -2.38 0.89 -0.08 -0.03 2.96 0.23 -4.22 118.68 116.06 2jc1 s LEU 314 Ca 0.46 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2jc1 s LEU 314 Cb -0.14 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 45.97 2jc1 s LEU 314 CO 0.19 -0.19 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.20 2jc1 s VAL 315 N 1.87 1.31 -0.33 1.68 1.01 -0.35 -1.62 120.40 123.98 2jc1 s VAL 315 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2jc1 s VAL 315 Cb -0.13 -1.19 0.11 0.00 0.00 0.00 0.00 36.38 35.17 2jc1 s VAL 315 CO -0.07 0.40 0.14 0.20 0.00 0.00 0.00 175.10 175.77 2jc1 s ASN 316 N 0.68 3.80 1.62 3.32 -0.87 -0.14 -0.02 114.94 123.33 2jc1 s ASN 316 Ca -0.14 -1.80 0.00 0.00 -1.57 0.00 0.00 52.86 49.35 2jc1 s ASN 316 Cb -0.16 -0.78 0.00 0.00 -0.02 0.00 0.00 41.25 40.30 2jc1 s ASN 316 CO 0.04 -0.39 0.00 0.61 -2.57 0.00 0.00 177.10 174.79 2jc1 n GLY 317 N 4.62 3.68 0.09 0.66 0.00 -1.26 -0.67 105.19 112.31 2jc1 n GLY 317 Ca 0.00 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 5.84 0.32 -4.63 1.61 5.75 -1.26 -3.84 116.55 120.34 2jc1 n ASP 318 Ca 0.00 -0.79 -0.42 0.00 -0.01 0.00 0.00 54.79 53.58 2jc1 n ASP 318 Cb 0.00 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 2jc1 n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jc1 s ASP 319 N -2.24 6.78 -0.08 -1.12 -1.08 0.16 -4.65 116.67 114.45 2jc1 s ASP 319 Ca 0.38 0.91 0.01 0.00 -0.52 0.00 0.00 52.55 53.33 2jc1 s ASP 319 Cb 0.21 -2.44 0.02 0.00 -1.46 0.00 0.00 42.92 39.25 2jc1 s ASP 319 CO 0.41 -0.58 -0.08 -0.22 0.52 0.00 0.00 175.17 175.22 2jc1 s LEU 320 N 2.96 1.32 -0.01 -1.34 2.96 -1.26 -0.96 118.68 122.35 2jc1 s LEU 320 Ca 0.35 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.08 2jc1 s LEU 320 Cb -0.15 -0.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 2jc1 s LEU 320 CO 0.10 -0.06 -0.18 0.54 -1.32 0.00 0.00 176.35 175.43 2jc1 s VAL 321 N 1.17 1.43 -0.07 1.68 0.11 -0.64 -1.17 120.40 122.91 2jc1 s VAL 321 Ca -0.06 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.22 2jc1 s VAL 321 Cb -0.14 -1.20 -0.00 0.00 -1.53 0.00 0.00 36.38 33.51 2jc1 s VAL 321 CO -0.02 0.37 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.23 2jc1 s VAL 322 N -0.47 1.73 -0.14 2.04 1.01 0.46 -0.60 120.40 124.43 2jc1 s VAL 322 Ca 0.07 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2jc1 s VAL 322 Cb -0.07 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 2jc1 s VAL 322 CO -0.00 0.49 -0.17 -0.63 0.00 0.00 0.00 175.10 174.78 2jc1 s ILE 323 N 0.23 2.57 0.21 2.22 1.01 -0.30 -1.05 121.20 126.09 2jc1 s ILE 323 Ca -0.12 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2jc1 s ILE 323 Cb -0.15 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 2jc1 s ILE 323 CO 0.05 0.53 0.22 0.00 0.00 0.00 0.00 174.94 175.74 2jc1 s GLU 325 N -2.72 4.56 0.41 0.00 0.41 -0.27 -0.97 118.70 120.12 2jc1 s GLU 325 Ca 0.22 1.21 -0.26 0.00 -0.41 0.00 0.00 54.97 55.74 2jc1 s GLU 325 Cb 0.01 -3.38 -0.08 0.00 -1.78 0.00 0.00 34.13 28.89 2jc1 s GLU 325 CO 0.16 0.22 1.26 0.45 -0.49 0.00 0.00 175.26 176.86 2jc1 s SER 326 N 0.11 6.34 -0.00 -0.19 0.15 0.13 -4.50 113.70 115.73 2jc1 s SER 326 Ca 0.42 2.56 0.13 0.00 0.70 0.00 0.00 55.95 59.77 2jc1 s SER 326 Cb -0.21 -2.63 0.37 0.00 -1.71 0.00 0.00 66.02 61.84 2jc1 s SER 326 CO 0.25 -0.82 1.31 0.00 1.20 0.00 0.00 173.24 175.19 2jc1 n ALA 327 N 0.08 2.23 0.00 5.45 0.00 -1.26 -4.93 120.51 122.07 2jc1 n ALA 327 Ca 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2jc1 n ALA 327 Cb 0.44 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 0.72 2.86 0.27 0.00 0.00 -1.26 -4.66 105.19 103.12 2jc1 n GLY 328 Ca 0.14 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 2jc1 n GLY 328 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jc1 h VAL 329 N 0.00 0.48 -0.83 1.61 2.07 -1.99 0.28 116.25 117.88 2jc1 h VAL 329 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2jc1 h VAL 329 Cb 0.00 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2jc1 h VAL 329 CO 0.00 0.00 0.50 1.56 0.02 0.00 0.00 177.57 179.65 2jc1 h GLN 330 N -0.47 1.12 -0.47 1.57 1.08 -2.01 -2.41 115.11 113.53 2jc1 h GLN 330 Ca 0.02 -0.10 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 2jc1 h GLN 330 Cb 0.46 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2jc1 h GLN 330 CO -0.10 0.78 -0.11 1.49 -0.95 0.00 0.00 178.83 179.94 2jc1 h GLU 331 N 1.14 0.90 -0.87 1.46 4.57 -1.68 -2.68 114.58 117.42 2jc1 h GLU 331 Ca 0.30 -0.34 0.11 0.00 -1.18 0.00 0.00 59.36 58.24 2jc1 h GLU 331 Cb -0.05 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.41 2jc1 h GLU 331 CO -0.06 0.99 0.50 -0.44 -1.18 0.00 0.00 179.01 178.83 2jc1 h ASP 332 N 0.74 0.72 -0.18 1.04 3.32 -0.10 0.27 116.42 122.22 2jc1 h ASP 332 Ca 0.12 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2jc1 h ASP 332 Cb 0.66 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2jc1 h ASP 332 CO 0.05 0.39 -0.06 0.00 -1.72 0.00 0.00 179.24 177.90 2jc1 h ALA 333 N 1.49 1.31 -0.33 3.45 0.00 -1.12 -1.39 119.26 122.66 2jc1 h ALA 333 Ca 0.43 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2jc1 h ALA 333 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jc1 h ALA 333 CO -0.26 0.47 -0.22 0.00 0.00 0.00 0.00 179.25 179.23 2jc1 h ALA 334 N 1.46 0.47 -1.00 0.00 0.00 -1.06 -2.89 119.26 116.23 2jc1 h ALA 334 Ca 0.10 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2jc1 h ALA 334 Cb 0.41 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2jc1 h ALA 334 CO 0.02 0.43 0.66 0.77 0.00 0.00 0.00 179.25 181.13 2jc1 h SER 335 N 0.49 1.10 0.36 0.00 0.02 -0.62 -2.68 113.55 112.21 2jc1 h SER 335 Ca 0.06 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 2jc1 h SER 335 Cb 0.78 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2jc1 h SER 335 CO 0.06 0.75 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.95 2jc1 h LEU 336 N 1.27 0.16 -0.94 5.07 3.38 -1.22 0.22 115.31 123.25 2jc1 h LEU 336 Ca 0.40 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 2jc1 h LEU 336 Cb -0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2jc1 h LEU 336 CO -0.12 0.62 0.41 0.03 0.09 0.00 0.00 178.44 179.46 2jc1 h ARG 337 N 0.12 1.16 -0.13 1.13 3.08 -1.27 0.44 114.38 118.91 2jc1 h ARG 337 Ca 0.01 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 2jc1 h ARG 337 Cb 0.89 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 2jc1 h ARG 337 CO 0.07 0.88 -0.11 0.28 -1.07 0.00 0.00 179.97 180.03 2jc1 h VAL 338 N 1.16 1.34 -0.57 2.04 2.07 -1.16 -0.64 116.25 120.50 2jc1 h VAL 338 Ca 0.28 -1.23 0.11 0.00 0.82 0.00 0.00 66.70 66.69 2jc1 h VAL 338 Cb 0.09 1.86 -0.11 0.00 -1.52 0.00 0.00 31.29 31.61 2jc1 h VAL 338 CO -0.04 0.36 -0.14 0.15 0.02 0.00 0.00 177.57 177.91 2jc1 h PHE 339 N -0.07 -0.31 -0.42 1.57 3.57 -0.85 -0.38 116.94 120.05 2jc1 h PHE 339 Ca 0.02 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 2jc1 h PHE 339 Cb 0.61 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2jc1 h PHE 339 CO 0.08 -0.25 -0.07 1.15 -2.23 0.00 0.00 178.31 177.00 2jc1 h THR 340 N -0.00 1.24 -0.72 4.41 2.02 -0.83 -0.93 112.91 118.11 2jc1 h THR 340 Ca 0.27 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 2jc1 h THR 340 Cb 0.42 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2jc1 h THR 340 CO -0.58 0.36 0.29 -0.33 0.37 0.00 0.00 175.52 175.62 2jc1 h GLU 341 N 0.65 1.06 -0.15 6.66 5.08 -0.34 -1.18 114.58 126.37 2jc1 h GLU 341 Ca 0.12 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2jc1 h GLU 341 Cb 0.51 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jc1 h GLU 341 CO 0.03 0.87 -0.19 0.00 -1.00 0.00 0.00 179.01 178.72 2jc1 h ALA 342 N 1.27 0.22 -0.96 3.43 0.00 -0.68 -1.76 119.26 120.78 2jc1 h ALA 342 Ca 0.24 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 54.93 2jc1 h ALA 342 Cb 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 2jc1 h ALA 342 CO -0.02 0.15 0.58 0.52 0.00 0.00 0.00 179.25 180.48 2jc1 h MET 343 N 0.01 0.87 -0.35 0.00 2.86 -1.11 -0.92 114.93 116.28 2jc1 h MET 343 Ca 0.02 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2jc1 h MET 343 Cb 0.74 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2jc1 h MET 343 CO 0.04 0.58 0.01 1.15 1.06 0.00 0.00 176.91 179.75 2jc1 h THR 344 N 0.90 1.25 -0.27 2.22 2.02 -1.02 0.93 112.91 118.94 2jc1 h THR 344 Ca 0.49 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2jc1 h THR 344 Cb 0.53 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2jc1 h THR 344 CO -0.29 0.32 0.08 0.03 0.37 0.00 0.00 175.52 176.03 2jc1 h ARG 345 N 0.43 0.38 0.00 6.66 3.08 -0.73 -0.51 114.38 123.69 2jc1 h ARG 345 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2jc1 h ARG 345 Cb 0.44 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2jc1 h ARG 345 CO 0.02 0.34 0.00 0.66 -1.07 0.00 0.00 179.97 179.91 2jc1 n TYR 346 N -4.40 0.00 -2.22 3.04 4.01 -0.41 -0.51 117.16 116.66 2jc1 n TYR 346 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2jc1 n TYR 346 Cb 0.15 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.01 -3.13 -2.85 7.72 2.88 -0.20 -4.89 113.62 112.15 2jc1 n SER 347 Ca 0.21 -0.24 -0.11 0.00 -1.33 0.00 0.00 58.87 57.39 2jc1 n SER 347 Cb 0.10 -2.13 0.03 0.00 -0.75 0.00 0.00 64.21 61.47 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 -2.09 -0.41 -1.42 -1.46 0.00 0.26 -4.64 120.51 110.74 2jc1 n ALA 348 Ca -0.05 -1.88 -0.32 0.00 0.00 0.00 0.00 53.44 51.19 2jc1 n ALA 348 Cb 0.55 -1.18 0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 0.07 2.59 0.45 0.00 0.02 -1.26 -3.97 135.00 132.90 2jc1 s PRO 349 Ca 0.31 1.31 -0.13 0.00 0.02 0.00 0.00 61.00 62.51 2jc1 s PRO 349 Cb 0.24 -1.93 -0.07 0.00 0.02 0.00 0.00 34.50 32.76 2jc1 s PRO 349 CO -0.17 -1.40 0.86 -1.25 -0.33 0.00 0.00 177.00 174.71 2jc1 s PRO 350 N -4.38 3.86 0.00 5.54 0.04 -1.26 -1.25 135.00 137.54 2jc1 s PRO 350 Ca 0.65 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2jc1 s PRO 350 Cb -0.19 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2jc1 s PRO 350 CO 0.47 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.79 2jc1 n GLY 351 N -1.38 1.71 3.71 0.56 0.00 -0.33 -4.33 105.19 105.13 2jc1 n GLY 351 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2jc1 n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jc1 s ASP 352 N -1.00 7.21 0.32 1.61 1.01 -1.26 -4.97 116.67 119.59 2jc1 s ASP 352 Ca 0.00 1.86 -0.29 0.00 0.71 0.00 0.00 52.55 54.82 2jc1 s ASP 352 Cb 0.00 -2.58 -0.12 0.00 1.01 0.00 0.00 42.92 41.23 2jc1 s ASP 352 CO 0.00 -0.37 1.43 -2.65 0.21 0.00 0.00 175.17 173.79 2jc1 n PRO 353 N 3.90 2.37 -1.84 8.23 -0.02 -1.26 -4.52 135.00 141.84 2jc1 n PRO 353 Ca 0.08 0.84 -0.38 0.00 -2.02 0.00 0.00 63.50 62.01 2jc1 n PRO 353 Cb 0.48 -2.51 0.04 0.00 -0.02 0.00 0.00 33.50 31.49 2jc1 n PRO 353 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jc1 s PRO 354 N -1.32 3.04 -0.04 0.52 0.04 -1.26 -5.03 135.00 130.94 2jc1 s PRO 354 Ca 0.59 2.11 0.03 0.00 0.04 0.00 0.00 61.00 63.77 2jc1 s PRO 354 Cb -0.55 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 31.86 2jc1 s PRO 354 CO 0.57 -1.23 -0.13 1.14 0.04 0.00 0.00 177.00 177.39 2jc1 s GLN 355 N -3.05 1.45 0.35 4.56 -2.07 -1.26 -5.00 119.66 114.65 2jc1 s GLN 355 Ca 0.74 -0.44 -0.28 0.00 -1.82 0.00 0.00 55.36 53.56 2jc1 s GLN 355 Cb -0.38 -1.27 -0.09 0.00 -1.09 0.00 0.00 33.01 30.18 2jc1 s GLN 355 CO 0.43 0.14 1.24 -2.14 -1.32 0.00 0.00 175.29 173.64 2jc1 s PRO 356 N 0.26 4.26 -0.01 9.60 0.02 -1.26 -4.56 135.00 143.32 2jc1 s PRO 356 Ca -0.06 2.05 0.03 0.00 0.02 0.00 0.00 61.00 63.04 2jc1 s PRO 356 Cb -0.12 -2.94 -0.01 0.00 0.02 0.00 0.00 34.50 31.46 2jc1 s PRO 356 CO 0.02 -0.21 -0.10 -1.21 -0.33 0.00 0.00 177.00 175.17 2jc1 s GLU 357 N -1.94 0.83 0.00 5.54 0.41 0.10 -4.96 118.70 118.68 2jc1 s GLU 357 Ca 0.52 -0.37 0.06 0.00 -0.41 0.00 0.00 54.97 54.77 2jc1 s GLU 357 Cb -0.36 -0.80 0.08 0.00 -1.78 0.00 0.00 34.13 31.26 2jc1 s GLU 357 CO 0.47 0.22 0.80 0.66 -0.49 0.00 0.00 175.26 176.92 2jc1 n TYR 358 N 2.83 0.06 -4.06 1.61 4.01 -1.26 -1.14 117.16 119.21 2jc1 n TYR 358 Ca -0.14 -0.12 -0.32 0.00 -0.16 0.00 0.00 57.90 57.17 2jc1 n TYR 358 Cb 0.56 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.43 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 -0.63 3.49 0.34 7.72 -1.08 -1.26 -4.99 116.67 120.26 2jc1 s ASP 359 Ca 0.09 -0.89 0.07 0.00 -0.52 0.00 0.00 52.55 51.29 2jc1 s ASP 359 Cb 0.05 -1.39 0.76 0.00 -1.46 0.00 0.00 42.92 40.89 2jc1 s ASP 359 CO 0.08 -0.10 1.88 0.25 0.52 0.00 0.00 175.17 177.80 2jc1 h LEU 360 N 7.92 0.71 -1.21 -1.34 5.85 -1.97 -0.54 115.31 124.73 2jc1 h LEU 360 Ca -0.33 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2jc1 h LEU 360 Cb 1.10 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2jc1 h LEU 360 CO 0.53 0.38 0.00 -0.33 -0.34 0.00 0.00 178.44 178.68 2jc1 h GLU 361 N 0.76 0.00 -0.01 1.25 5.08 -1.96 -1.84 114.58 117.86 2jc1 h GLU 361 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2jc1 h GLU 361 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2jc1 h GLU 361 CO -0.20 0.00 -0.46 1.28 -1.00 0.00 0.00 179.01 178.63 2jc1 n LEU 362 N -2.36 1.18 -4.72 1.33 4.77 -0.21 -4.56 117.00 112.44 2jc1 n LEU 362 Ca 0.00 -0.37 -0.40 0.00 -0.03 0.00 0.00 56.01 55.21 2jc1 n LEU 362 Cb 0.14 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 2jc1 n LEU 362 CO 0.16 0.24 0.48 -0.63 -1.33 0.00 0.00 177.39 176.30 2jc1 s ILE 363 N -2.65 4.94 -0.28 -0.08 1.01 -0.69 -5.04 121.20 118.40 2jc1 s ILE 363 Ca 0.18 1.63 -0.09 0.00 0.00 0.00 0.00 60.65 62.37 2jc1 s ILE 363 Cb 0.18 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 2jc1 s ILE 363 CO 0.61 0.25 0.12 -0.89 0.00 0.00 0.00 174.94 175.04 2jc1 s THR 364 N 0.66 4.52 0.00 2.92 2.01 -1.26 -4.36 115.64 120.14 2jc1 s THR 364 Ca 0.41 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.16 2jc1 s THR 364 Cb -0.19 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 2jc1 s THR 364 CO 0.21 0.20 -0.04 -0.94 -0.69 0.00 0.00 174.62 173.36 2jc1 s SER 365 N 1.62 0.50 -1.52 3.53 1.04 0.08 -4.72 113.70 114.23 2jc1 s SER 365 Ca 0.05 -0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 2jc1 s SER 365 Cb -0.16 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 65.93 2jc1 s SER 365 CO 0.05 0.01 0.12 0.00 0.98 0.00 0.00 173.24 174.41 2jc1 n SER 367 N -2.91 -4.45 -4.14 0.00 7.64 -1.26 -4.93 113.62 103.58 2jc1 n SER 367 Ca -0.31 0.27 -0.12 0.00 1.01 0.00 0.00 58.87 59.72 2jc1 n SER 367 Cb 0.69 -3.91 -0.11 0.00 -1.01 0.00 0.00 64.21 59.88 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 -2.22 1.10 0.04 6.43 0.01 -0.59 -4.68 113.70 113.80 2jc1 s SER 368 Ca 0.00 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 56.45 2jc1 s SER 368 Cb 0.00 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 2jc1 s SER 368 CO 0.00 -0.36 -0.12 0.54 0.41 0.00 0.00 173.24 173.71 2jc1 s ASN 369 N -2.54 1.40 0.31 2.44 4.22 -0.12 -0.75 114.94 119.91 2jc1 s ASN 369 Ca 0.05 -0.47 -0.29 0.00 -2.14 0.00 0.00 52.86 50.00 2jc1 s ASN 369 Cb -0.00 -0.06 -0.11 0.00 1.28 0.00 0.00 41.25 42.35 2jc1 s ASN 369 CO -0.03 -0.03 1.53 -0.69 -2.04 0.00 0.00 177.10 175.84 2jc1 s VAL 370 N -0.96 2.18 0.35 3.54 1.01 -1.26 -1.22 120.40 124.04 2jc1 s VAL 370 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2jc1 s VAL 370 Cb -0.08 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jc1 s VAL 370 CO 0.01 0.03 0.44 -0.55 0.00 0.00 0.00 175.10 175.04 2jc1 s SER 371 N 0.24 1.15 -0.01 3.32 0.15 -0.13 -4.37 113.70 114.04 2jc1 s SER 371 Ca 0.59 -1.57 0.02 0.00 0.70 0.00 0.00 55.95 55.69 2jc1 s SER 371 Cb -0.46 0.65 -0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2jc1 s SER 371 CO 0.52 -1.27 -0.07 0.54 1.20 0.00 0.00 173.24 174.16 2jc1 s VAL 372 N -3.05 0.55 0.01 4.45 0.11 -1.26 -1.38 120.40 119.83 2jc1 s VAL 372 Ca 0.33 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2jc1 s VAL 372 Cb -0.00 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2jc1 s VAL 372 CO 0.23 0.17 0.01 0.00 -3.33 0.00 0.00 175.10 172.17 2jc1 n ALA 373 N 3.04 0.02 -2.60 1.54 0.00 -0.25 -3.46 120.51 118.80 2jc1 n ALA 373 Ca -0.15 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 2jc1 n ALA 373 Cb 0.57 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.70 1.19 0.33 0.00 3.76 -0.17 -0.19 115.29 118.51 2jc1 s HIS 374 Ca 0.01 -0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 54.64 2jc1 s HIS 374 Cb 0.00 -0.76 0.08 0.00 1.11 0.00 0.00 32.58 33.00 2jc1 s HIS 374 CO 0.01 -0.02 0.45 -0.40 -0.85 0.00 0.00 174.74 173.93 2jc1 n ASP 375 N 2.77 0.07 -0.31 1.40 5.68 -0.09 -1.54 116.55 124.53 2jc1 n ASP 375 Ca -0.14 -1.18 0.13 0.00 -0.50 0.00 0.00 54.79 53.09 2jc1 n ASP 375 Cb 0.55 -0.34 0.36 0.00 -1.14 0.00 0.00 41.12 40.55 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 -1.82 1.80 0.00 2.12 0.00 -1.91 0.03 119.26 119.47 2jc1 h ALA 376 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jc1 h ALA 376 Cb 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jc1 h ALA 376 CO 0.11 -0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.70 2jc1 n SER 377 N -4.62 0.56 0.00 0.00 7.64 -1.26 -4.90 113.62 111.05 2jc1 n SER 377 Ca 0.20 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.65 2jc1 n SER 377 Cb 0.52 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.03 0.73 3.77 0.23 0.00 -0.00 -5.05 105.19 105.90 2jc1 n GLY 378 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.40 4.36 0.27 1.61 2.20 -1.26 -4.68 119.74 121.83 2jc1 s LYS 379 Ca 0.00 2.09 -0.30 0.00 -0.36 0.00 0.00 55.97 57.40 2jc1 s LYS 379 Cb 0.00 -3.03 -0.10 0.00 -1.51 0.00 0.00 37.83 33.19 2jc1 s LYS 379 CO 0.00 -0.14 1.42 1.03 -0.36 0.00 0.00 175.35 177.30 2jc1 s ARG 380 N -1.81 4.27 -0.11 4.03 0.52 -1.26 -0.91 118.95 123.69 2jc1 s ARG 380 Ca 0.49 2.30 0.01 0.00 -0.52 0.00 0.00 55.73 58.01 2jc1 s ARG 380 Cb -0.37 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.02 2jc1 s ARG 380 CO 0.49 -0.39 -0.10 0.08 0.02 0.00 0.00 175.30 175.39 2jc1 s VAL 381 N -0.24 1.18 0.32 3.52 1.01 0.74 -4.87 120.40 122.06 2jc1 s VAL 381 Ca 0.57 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 2jc1 s VAL 381 Cb -0.42 -1.14 -0.10 0.00 0.00 0.00 0.00 36.38 34.73 2jc1 s VAL 381 CO 0.46 0.39 0.85 -0.31 0.00 0.00 0.00 175.10 176.48 2jc1 s TYR 382 N 1.36 3.53 0.15 5.22 2.02 -1.26 -1.08 117.35 127.29 2jc1 s TYR 382 Ca -0.01 1.53 -0.19 0.00 -0.37 0.00 0.00 57.07 58.04 2jc1 s TYR 382 Cb -0.14 -2.75 0.05 0.00 -0.40 0.00 0.00 41.96 38.72 2jc1 s TYR 382 CO -0.05 0.15 0.49 1.52 -1.57 0.00 0.00 175.55 176.08 2jc1 s TYR 383 N -1.79 -0.31 -0.14 2.71 1.13 -0.48 -4.96 117.35 113.50 2jc1 s TYR 383 Ca 0.52 0.03 -0.08 0.00 -1.41 0.00 0.00 57.07 56.13 2jc1 s TYR 383 Cb -0.14 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 2jc1 s TYR 383 CO 0.19 -0.78 0.13 -0.51 -2.51 0.00 0.00 175.55 172.07 2jc1 s LEU 384 N -2.79 4.31 0.00 -3.49 1.43 -1.26 -0.96 118.68 115.91 2jc1 s LEU 384 Ca 0.03 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 2jc1 s LEU 384 Cb 0.00 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 2jc1 s LEU 384 CO -0.11 0.34 0.19 1.07 0.23 0.00 0.00 176.35 178.07 2jc1 n THR 385 N 2.46 0.00 -3.68 5.49 5.66 -0.35 -4.79 114.28 119.06 2jc1 n THR 385 Ca -0.19 -1.82 -0.09 0.00 -3.05 0.00 0.00 64.05 58.90 2jc1 n THR 385 Cb 0.54 0.86 -0.02 0.00 -1.55 0.00 0.00 70.33 70.15 2jc1 n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jc1 s ARG 386 N -3.05 1.51 0.02 1.09 1.70 -1.26 -0.94 118.95 118.02 2jc1 s ARG 386 Ca 0.27 -0.79 -0.33 0.00 -0.47 0.00 0.00 55.73 54.41 2jc1 s ARG 386 Cb 0.01 0.58 -0.12 0.00 -0.57 0.00 0.00 34.95 34.85 2jc1 s ARG 386 CO 0.19 -0.67 1.81 -3.47 -1.08 0.00 0.00 175.30 172.08 2jc1 n ASP 387 N -0.40 3.53 -0.23 -2.89 -0.08 -1.26 -4.86 116.55 110.36 2jc1 n ASP 387 Ca -0.10 1.00 0.05 0.00 -1.51 0.00 0.00 54.79 54.23 2jc1 n ASP 387 Cb 0.62 -1.43 0.22 0.00 2.34 0.00 0.00 41.12 42.87 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 5.76 1.29 0.15 -0.67 -0.04 -1.26 -4.39 135.00 135.83 2jc1 n PRO 388 Ca 0.20 -0.44 -0.14 0.00 -0.04 0.00 0.00 63.50 63.08 2jc1 n PRO 388 Cb 0.32 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.78 0.28 -0.23 0.52 2.02 -1.96 -1.10 112.91 113.23 2jc1 h THR 389 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2jc1 h THR 389 Cb 0.18 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2jc1 h THR 389 CO 0.00 0.00 -0.10 0.74 0.37 0.00 0.00 175.52 176.53 2jc1 h THR 390 N -0.62 1.30 -0.95 3.16 2.02 -1.96 -0.48 112.91 115.38 2jc1 h THR 390 Ca 0.01 -1.16 0.21 0.00 0.77 0.00 0.00 66.41 66.23 2jc1 h THR 390 Cb 0.62 1.59 -0.08 0.00 -1.74 0.00 0.00 68.15 68.53 2jc1 h THR 390 CO -0.16 0.36 0.61 -0.65 0.37 0.00 0.00 175.52 176.05 2jc1 h PRO 391 N 0.18 0.50 0.25 6.66 0.11 -1.82 -0.66 132.00 137.22 2jc1 h PRO 391 Ca 0.05 -0.03 -0.34 0.00 0.11 0.00 0.00 66.00 65.79 2jc1 h PRO 391 Cb 0.60 -0.11 0.04 0.00 0.11 0.00 0.00 31.00 31.63 2jc1 h PRO 391 CO 0.03 0.33 -1.47 -0.07 -0.21 0.00 0.00 178.00 176.61 2jc1 h LEU 392 N 0.51 0.86 -0.58 2.35 3.38 -0.96 -1.41 115.31 119.47 2jc1 h LEU 392 Ca 0.51 -0.91 0.11 0.00 0.09 0.00 0.00 57.88 57.68 2jc1 h LEU 392 Cb 1.13 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 2jc1 h LEU 392 CO -0.24 1.71 0.09 0.00 0.09 0.00 0.00 178.44 180.09 2jc1 h ALA 393 N 0.16 0.64 -0.31 1.53 0.00 -0.89 -0.99 119.26 119.41 2jc1 h ALA 393 Ca -0.26 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2jc1 h ALA 393 Cb 2.16 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 20.16 2jc1 h ALA 393 CO 0.28 -0.33 -0.49 0.00 0.00 0.00 0.00 179.25 178.70 2jc1 h ARG 394 N 0.21 0.85 -0.85 0.00 3.08 -1.13 -2.80 114.38 113.75 2jc1 h ARG 394 Ca 0.30 -0.51 0.01 0.00 0.07 0.00 0.00 59.98 59.85 2jc1 h ARG 394 Cb 0.45 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2jc1 h ARG 394 CO -0.41 1.14 0.56 0.00 -1.07 0.00 0.00 179.97 180.19 2jc1 h ALA 395 N 0.76 1.41 -0.73 0.04 0.00 -1.01 -1.41 119.26 118.31 2jc1 h ALA 395 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jc1 h ALA 395 Cb 1.09 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2jc1 h ALA 395 CO 0.11 0.55 0.30 0.00 0.00 0.00 0.00 179.25 180.21 2jc1 h ALA 396 N 1.48 1.14 0.05 0.00 0.00 -1.00 -0.08 119.26 120.85 2jc1 h ALA 396 Ca 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jc1 h ALA 396 Cb -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.38 2jc1 h ALA 396 CO -0.07 0.62 -0.02 2.35 0.00 0.00 0.00 179.25 182.12 2jc1 h TRP 397 N 1.06 -0.06 0.00 0.00 2.91 -1.19 -3.05 115.95 115.62 2jc1 h TRP 397 Ca 0.25 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.25 2jc1 h TRP 397 Cb 0.19 0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.86 2jc1 h TRP 397 CO 0.02 0.05 -0.06 0.93 -1.03 0.00 0.00 178.44 178.34 2jc1 h GLU 398 N -0.16 0.00 -0.24 2.65 5.08 -1.06 -0.99 114.58 119.86 2jc1 h GLU 398 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jc1 h GLU 398 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2jc1 h GLU 398 CO 0.01 0.06 -0.10 1.15 -1.00 0.00 0.00 179.01 179.13 2jc1 h THR 399 N 0.00 1.20 0.00 1.13 2.02 -0.90 -3.30 112.91 113.07 2jc1 h THR 399 Ca -0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2jc1 h THR 399 Cb 0.46 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2jc1 h THR 399 CO 0.01 0.28 -1.14 0.00 0.37 0.00 0.00 175.52 175.04 2jc1 n ALA 400 N -2.48 3.32 -3.68 6.16 0.00 -0.68 -4.90 120.51 118.25 2jc1 n ALA 400 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 53.44 52.87 2jc1 n ALA 400 Cb 0.28 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.69 0.46 0.10 0.00 1.81 -0.46 -4.86 118.95 113.31 2jc1 s ARG 401 Ca 0.01 0.02 -0.31 0.00 -1.72 0.00 0.00 55.73 53.72 2jc1 s ARG 401 Cb 0.10 -0.58 -0.08 0.00 -0.45 0.00 0.00 34.95 33.95 2jc1 s ARG 401 CO 0.62 -0.11 1.38 -1.01 -0.68 0.00 0.00 175.30 175.50 2jc1 s HIS 402 N 0.95 3.22 0.15 -0.53 3.76 -1.26 -4.28 115.29 117.30 2jc1 s HIS 402 Ca -0.11 0.96 0.08 0.00 -0.15 0.00 0.00 55.06 55.84 2jc1 s HIS 402 Cb -0.14 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.84 2jc1 s HIS 402 CO -0.01 -2.34 -0.18 0.95 -0.85 0.00 0.00 174.74 172.31 2jc1 s THR 403 N 1.20 1.71 0.48 1.30 -4.23 -1.26 -5.04 115.64 109.80 2jc1 s THR 403 Ca 0.64 -1.83 0.22 0.00 -1.18 0.00 0.00 61.69 59.55 2jc1 s THR 403 Cb -0.36 -1.75 0.27 0.00 1.34 0.00 0.00 72.50 72.00 2jc1 s THR 403 CO 0.30 -0.30 2.10 -0.65 -0.54 0.00 0.00 174.62 175.53 2jc1 h PRO 404 N 3.40 0.00 -4.63 3.99 0.11 -1.95 -3.40 132.00 129.52 2jc1 h PRO 404 Ca -0.42 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.14 2jc1 h PRO 404 Cb 1.20 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.97 2jc1 h PRO 404 CO 0.49 0.10 -0.82 0.08 -0.21 0.00 0.00 178.00 177.64 2jc1 s VAL 405 N -4.54 1.31 -0.82 3.15 1.01 -1.26 -4.67 120.40 114.57 2jc1 s VAL 405 Ca -0.04 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 2jc1 s VAL 405 Cb 0.15 -1.20 0.17 0.00 0.00 0.00 0.00 36.38 35.50 2jc1 s VAL 405 CO 0.62 0.40 0.88 0.20 0.00 0.00 0.00 175.10 177.20 2jc1 s ASN 406 N 0.86 6.60 0.44 3.32 0.01 -0.72 -4.88 114.94 120.56 2jc1 s ASN 406 Ca -0.10 -2.23 0.17 0.00 -0.71 0.00 0.00 52.86 49.99 2jc1 s ASN 406 Cb -0.15 -2.29 1.00 0.00 0.41 0.00 0.00 41.25 40.21 2jc1 s ASN 406 CO 0.01 -0.85 1.95 0.77 -1.51 0.00 0.00 177.10 177.47 2jc1 h SER 407 N 8.42 0.00 -0.87 -1.22 4.64 -1.93 -2.56 113.55 120.03 2jc1 h SER 407 Ca 0.05 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.42 2jc1 h SER 407 Cb 1.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.08 2jc1 h SER 407 CO 0.94 0.24 0.55 4.11 -0.87 0.00 0.00 176.83 181.80 2jc1 h TRP 408 N 0.00 1.01 -0.18 4.77 5.08 -1.90 0.32 115.95 125.06 2jc1 h TRP 408 Ca -0.00 0.03 -0.10 0.00 1.08 0.00 0.00 58.89 59.90 2jc1 h TRP 408 Cb 0.45 -0.33 -0.00 0.00 -3.00 0.00 0.00 29.16 26.28 2jc1 h TRP 408 CO 0.00 0.54 -0.27 1.25 -1.28 0.00 0.00 178.44 178.68 2jc1 h LEU 409 N 1.02 0.54 -0.61 0.11 5.85 -1.86 -0.04 115.31 120.32 2jc1 h LEU 409 Ca 0.37 -0.52 0.06 0.00 0.84 0.00 0.00 57.88 58.62 2jc1 h LEU 409 Cb 0.12 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2jc1 h LEU 409 CO -0.15 0.96 0.32 1.23 -0.34 0.00 0.00 178.44 180.45 2jc1 h GLY 410 N 0.14 0.88 1.01 3.75 0.00 -1.26 -1.46 103.07 106.13 2jc1 h GLY 410 Ca 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2jc1 h GLY 410 CO 0.06 0.12 0.38 3.43 0.00 0.00 0.00 176.54 180.53 2jc1 h ASN 411 N 0.59 0.89 -0.56 0.19 2.35 -0.26 -0.50 115.58 118.28 2jc1 h ASN 411 Ca 0.28 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2jc1 h ASN 411 Cb 0.20 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2jc1 h ASN 411 CO -0.19 0.74 0.34 0.40 -1.65 0.00 0.00 177.43 177.07 2jc1 h ILE 412 N 0.98 1.17 -0.12 2.81 2.04 -0.74 0.12 117.51 123.76 2jc1 h ILE 412 Ca 0.25 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2jc1 h ILE 412 Cb 0.05 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2jc1 h ILE 412 CO -0.04 0.17 0.03 0.40 0.00 0.00 0.00 178.15 178.72 2jc1 h ILE 413 N 0.76 1.19 0.00 -0.67 2.04 -1.04 -0.87 117.51 118.92 2jc1 h ILE 413 Ca 0.20 -0.59 -0.15 0.00 1.00 0.00 0.00 64.86 65.33 2jc1 h ILE 413 Cb -0.01 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2jc1 h ILE 413 CO -0.04 0.17 -0.95 0.24 0.00 0.00 0.00 178.15 177.58 2jc1 h MET 414 N 0.00 0.00 -0.19 2.37 2.86 -1.04 -3.32 114.93 115.61 2jc1 h MET 414 Ca 0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2jc1 h MET 414 Cb 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 2jc1 h MET 414 CO -0.00 0.47 -0.17 0.66 1.06 0.00 0.00 176.91 178.94 2jc1 n TYR 415 N -3.10 0.62 -0.34 -0.22 4.01 0.41 -4.83 117.16 113.70 2jc1 n TYR 415 Ca -0.03 -1.38 0.17 0.00 -0.16 0.00 0.00 57.90 56.50 2jc1 n TYR 415 Cb 0.81 -0.35 0.39 0.00 -0.31 0.00 0.00 39.34 39.87 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 0.97 1.82 0.00 -0.72 0.00 -1.26 -0.72 119.26 119.35 2jc1 h ALA 416 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jc1 h ALA 416 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2jc1 h ALA 416 CO 0.21 -0.27 0.00 -2.30 0.00 0.00 0.00 179.25 176.88 2jc1 n PRO 417 N -4.84 0.10 -2.66 0.00 -0.02 -1.26 -4.43 135.00 121.89 2jc1 n PRO 417 Ca 0.26 0.14 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 2jc1 n PRO 417 Cb 0.73 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.67 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 -2.85 4.55 0.16 3.45 -4.23 -0.28 -4.93 115.64 111.51 2jc1 s THR 418 Ca 0.13 1.17 -0.15 0.00 -1.18 0.00 0.00 61.69 61.66 2jc1 s THR 418 Cb 0.13 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.33 2jc1 s THR 418 CO 0.33 -0.51 1.80 0.25 -0.54 0.00 0.00 174.62 175.95 2jc1 h LEU 419 N 1.38 0.41 -0.36 4.79 5.85 -1.89 -2.05 115.31 123.44 2jc1 h LEU 419 Ca -0.48 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.07 2jc1 h LEU 419 Cb 1.18 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2jc1 h LEU 419 CO 0.62 0.30 -0.55 4.11 -0.34 0.00 0.00 178.44 182.57 2jc1 h TRP 420 N 0.52 0.98 -0.44 1.25 5.08 -1.93 -1.91 115.95 119.50 2jc1 h TRP 420 Ca 0.18 -0.35 -0.11 0.00 1.08 0.00 0.00 58.89 59.68 2jc1 h TRP 420 Cb 0.02 -0.18 -0.01 0.00 -3.00 0.00 0.00 29.16 25.99 2jc1 h TRP 420 CO -0.07 1.15 -0.17 0.00 -1.28 0.00 0.00 178.44 178.07 2jc1 h ALA 421 N 0.77 0.62 0.02 0.11 0.00 -1.78 -1.73 119.26 117.27 2jc1 h ALA 421 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jc1 h ALA 421 Cb 1.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jc1 h ALA 421 CO 0.12 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.92 2jc1 h ARG 422 N 0.73 -0.02 0.20 0.00 3.08 -1.39 -0.95 114.38 116.03 2jc1 h ARG 422 Ca 0.10 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.85 2jc1 h ARG 422 Cb 0.73 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.81 2jc1 h ARG 422 CO 0.06 0.34 -1.39 0.52 -1.07 0.00 0.00 179.97 178.43 2jc1 h MET 423 N -0.39 0.42 0.00 0.04 2.86 -1.43 -3.35 114.93 113.09 2jc1 h MET 423 Ca -0.00 -0.71 -0.08 0.00 -2.06 0.00 0.00 59.70 56.85 2jc1 h MET 423 Cb 0.37 0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2jc1 h MET 423 CO 0.00 1.34 -1.22 -0.89 1.06 0.00 0.00 176.91 177.20 2jc1 n ILE 424 N -3.63 1.48 -0.03 -1.22 5.41 -0.67 -4.19 119.36 116.52 2jc1 n ILE 424 Ca -0.13 0.06 -0.12 0.00 1.00 0.00 0.00 62.75 63.56 2jc1 n ILE 424 Cb 1.07 -2.23 -0.06 0.00 -0.71 0.00 0.00 39.64 37.70 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 -0.95 0.17 -0.25 1.39 3.38 -1.35 0.11 115.31 117.81 2jc1 h LEU 425 Ca -0.12 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2jc1 h LEU 425 Cb 1.06 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2jc1 h LEU 425 CO -0.07 0.36 0.07 0.24 0.09 0.00 0.00 178.44 179.13 2jc1 h MET 426 N -0.02 0.18 -0.12 1.13 2.86 -1.30 -1.65 114.93 116.01 2jc1 h MET 426 Ca 0.04 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2jc1 h MET 426 Cb 0.25 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2jc1 h MET 426 CO 0.00 0.12 0.04 1.15 1.06 0.00 0.00 176.91 179.28 2jc1 h THR 427 N 0.18 1.17 0.56 2.22 2.02 -1.65 -1.71 112.91 115.70 2jc1 h THR 427 Ca 0.11 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 2jc1 h THR 427 Cb 0.09 1.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2jc1 h THR 427 CO -0.13 0.15 -0.27 -0.74 0.37 0.00 0.00 175.52 174.90 2jc1 h HIS 428 N 0.03 -0.70 -0.12 3.16 6.17 -0.90 -2.49 115.15 120.30 2jc1 h HIS 428 Ca 0.04 -0.02 -0.19 0.00 0.71 0.00 0.00 60.37 60.92 2jc1 h HIS 428 Cb 0.20 0.23 -0.00 0.00 2.52 0.00 0.00 27.41 30.36 2jc1 h HIS 428 CO -0.01 -0.41 -0.71 0.74 0.71 0.00 0.00 177.93 178.26 2jc1 h PHE 429 N -0.83 0.70 -0.70 5.26 0.04 -1.33 -2.23 116.94 117.85 2jc1 h PHE 429 Ca -0.08 -0.30 -0.00 0.00 2.80 0.00 0.00 57.97 60.39 2jc1 h PHE 429 Cb 0.61 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 2jc1 h PHE 429 CO -0.02 1.07 0.43 0.74 -0.60 0.00 0.00 178.31 179.92 2jc1 h PHE 430 N 0.37 0.91 -0.08 -0.55 -1.00 -1.40 -0.40 116.94 114.79 2jc1 h PHE 430 Ca -0.03 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.77 2jc1 h PHE 430 Cb 1.29 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.53 2jc1 h PHE 430 CO 0.05 0.61 -0.04 1.03 -1.61 0.00 0.00 178.31 178.35 2jc1 h SER 431 N 0.96 -0.12 -0.27 2.17 0.87 -1.02 -0.98 113.55 115.15 2jc1 h SER 431 Ca 0.25 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2jc1 h SER 431 Cb -0.05 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2jc1 h SER 431 CO -0.05 -0.05 0.18 0.40 -0.53 0.00 0.00 176.83 176.78 2jc1 h ILE 432 N -0.03 1.08 -0.59 2.23 2.04 -1.08 -1.75 117.51 119.40 2jc1 h ILE 432 Ca 0.05 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2jc1 h ILE 432 Cb 0.10 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2jc1 h ILE 432 CO -0.10 0.08 0.35 -0.07 0.00 0.00 0.00 178.15 178.40 2jc1 h LEU 433 N 0.36 0.72 -0.29 1.44 3.38 -0.95 -1.81 115.31 118.16 2jc1 h LEU 433 Ca 0.10 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2jc1 h LEU 433 Cb -0.03 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2jc1 h LEU 433 CO -0.02 0.58 0.03 -0.07 0.09 0.00 0.00 178.44 179.05 2jc1 h LEU 434 N 0.80 -0.05 -1.78 1.67 3.38 -1.08 0.10 115.31 118.36 2jc1 h LEU 434 Ca 0.21 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.29 2jc1 h LEU 434 Cb 0.00 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2jc1 h LEU 434 CO -0.04 0.01 0.25 0.00 0.09 0.00 0.00 178.44 178.75 2jc1 h ALA 435 N 1.23 2.00 -0.02 1.53 0.00 -0.79 -2.07 119.26 121.14 2jc1 h ALA 435 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jc1 h ALA 435 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jc1 h ALA 435 CO -0.20 -0.07 -0.18 1.04 0.00 0.00 0.00 179.25 179.84 2jc1 n GLN 436 N -4.48 1.83 -3.98 0.00 1.13 -0.73 -4.97 117.38 106.19 2jc1 n GLN 436 Ca 0.04 -1.48 -0.28 0.00 -1.94 0.00 0.00 57.00 53.35 2jc1 n GLN 436 Cb 0.24 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.11 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 0.71 -3.66 -0.54 -1.09 1.02 0.16 -4.91 120.64 112.34 2jc1 n GLU 437 Ca 0.13 0.44 0.06 0.00 -0.02 0.00 0.00 57.16 57.77 2jc1 n GLU 437 Cb 0.53 -4.80 0.20 0.00 -0.02 0.00 0.00 31.44 27.34 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 -4.42 1.54 0.06 3.49 6.02 -0.07 -4.74 117.38 119.26 2jc1 n GLN 438 Ca -0.20 -3.20 0.09 0.00 -0.01 0.00 0.00 57.00 53.67 2jc1 n GLN 438 Cb 0.63 -1.59 0.53 0.00 1.02 0.00 0.00 30.24 30.83 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 0.87 0.26 -0.48 1.08 3.38 -1.91 -2.45 115.31 116.05 2jc1 h LEU 439 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jc1 h LEU 439 Cb 1.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2jc1 h LEU 439 CO 0.00 0.18 -0.31 -1.84 0.09 0.00 0.00 178.44 176.56 2jc1 n GLU 440 N -4.48 0.78 -2.34 1.13 0.00 -1.26 -2.67 120.64 111.79 2jc1 n GLU 440 Ca 0.03 -0.48 -0.43 0.00 0.00 0.00 0.00 57.16 56.28 2jc1 n GLU 440 Cb 0.19 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.12 2jc1 n GLU 440 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2jc1 s LYS 441 N -2.56 4.22 0.28 3.44 2.20 -0.93 -4.83 119.74 121.57 2jc1 s LYS 441 Ca 0.22 1.77 -0.29 0.00 -0.36 0.00 0.00 55.97 57.30 2jc1 s LYS 441 Cb 0.19 -3.81 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 2jc1 s LYS 441 CO 0.55 -0.74 1.37 0.00 -0.36 0.00 0.00 175.35 176.17 2jc1 s ALA 442 N 3.61 3.56 0.04 3.13 0.00 -1.26 -4.37 121.76 126.47 2jc1 s ALA 442 Ca 0.58 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.89 2jc1 s ALA 442 Cb -0.24 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 2jc1 s ALA 442 CO 0.18 -0.68 -0.19 -0.51 0.00 0.00 0.00 175.76 174.56 2jc1 s LEU 443 N -1.02 2.15 0.05 0.00 1.43 0.47 -4.83 118.68 116.93 2jc1 s LEU 443 Ca 0.54 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 2jc1 s LEU 443 Cb -0.40 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2jc1 s LEU 443 CO 0.47 0.14 0.93 -1.81 0.23 0.00 0.00 176.35 176.32 2jc1 s ASP 444 N -1.08 7.38 0.18 2.29 1.01 -1.26 -1.07 116.67 124.12 2jc1 s ASP 444 Ca 0.06 1.67 -0.03 0.00 0.71 0.00 0.00 52.55 54.95 2jc1 s ASP 444 Cb -0.08 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2jc1 s ASP 444 CO 0.01 -0.14 0.16 0.00 0.21 0.00 0.00 175.17 175.41 2jc1 s GLN 446 N -4.09 2.57 -0.08 0.00 -0.21 -1.26 -0.64 119.66 115.95 2jc1 s GLN 446 Ca 0.30 -0.75 -0.00 0.00 0.02 0.00 0.00 55.36 54.93 2jc1 s GLN 446 Cb 0.06 -2.35 0.02 0.00 1.00 0.00 0.00 33.01 31.75 2jc1 s GLN 446 CO 0.07 0.54 -0.04 0.42 -2.12 0.00 0.00 175.29 174.15 2jc1 s ILE 447 N -0.52 0.70 -1.61 1.08 1.01 -0.28 -4.71 121.20 116.88 2jc1 s ILE 447 Ca 0.07 -0.11 -0.15 0.00 0.00 0.00 0.00 60.65 60.45 2jc1 s ILE 447 Cb -0.12 -0.77 0.12 0.00 0.01 0.00 0.00 42.46 41.70 2jc1 s ILE 447 CO 0.01 0.30 0.87 -1.22 0.00 0.00 0.00 174.94 174.91 2jc1 n TYR 448 N 4.81 -2.02 0.00 3.97 4.01 -1.26 -1.48 117.16 125.20 2jc1 n TYR 448 Ca -0.13 0.85 0.00 0.00 -0.16 0.00 0.00 57.90 58.46 2jc1 n TYR 448 Cb 0.50 -3.50 0.00 0.00 -0.31 0.00 0.00 39.34 36.04 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 -1.56 2.31 3.82 2.72 0.00 -1.26 -2.96 105.19 108.25 2jc1 n GLY 449 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.37 3.40 -0.12 4.61 0.00 -0.55 -4.46 121.76 122.28 2jc1 s ALA 450 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 2jc1 s ALA 450 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 2jc1 s ALA 450 CO 0.00 0.33 0.52 0.00 0.00 0.00 0.00 175.76 176.61 2jc1 s TYR 452 N 0.80 1.47 -0.36 0.00 1.51 0.19 -0.37 117.35 120.58 2jc1 s TYR 452 Ca 0.28 -0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 55.95 2jc1 s TYR 452 Cb -0.16 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 2jc1 s TYR 452 CO 0.11 -0.03 0.20 0.45 -1.11 0.00 0.00 175.55 175.18 2jc1 s SER 453 N -0.37 5.72 -0.05 2.29 0.15 -1.26 -0.61 113.70 119.57 2jc1 s SER 453 Ca 0.06 -0.88 0.02 0.00 0.70 0.00 0.00 55.95 55.85 2jc1 s SER 453 Cb -0.06 -2.03 0.01 0.00 -1.71 0.00 0.00 66.02 62.23 2jc1 s SER 453 CO -0.01 -0.35 -0.10 -0.63 1.20 0.00 0.00 173.24 173.35 2jc1 s ILE 454 N 1.57 0.97 -0.01 6.45 1.01 -0.23 -4.80 121.20 126.15 2jc1 s ILE 454 Ca 0.03 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 2jc1 s ILE 454 Cb -0.19 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 2jc1 s ILE 454 CO 0.07 0.31 0.91 -1.61 0.00 0.00 0.00 174.94 174.62 2jc1 s GLU 455 N 0.54 4.53 0.43 2.79 2.02 -1.26 -0.39 118.70 127.36 2jc1 s GLU 455 Ca -0.11 1.29 0.24 0.00 0.02 0.00 0.00 54.97 56.42 2jc1 s GLU 455 Cb -0.14 -3.45 1.26 0.00 0.10 0.00 0.00 34.13 31.90 2jc1 s GLU 455 CO 0.02 -0.01 1.73 -1.35 0.02 0.00 0.00 175.26 175.67 2jc1 h PRO 456 N 6.75 0.25 0.00 0.39 0.11 -1.75 0.57 132.00 138.32 2jc1 h PRO 456 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2jc1 h PRO 456 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jc1 h PRO 456 CO 0.75 0.16 0.00 -0.07 -0.21 0.00 0.00 178.00 178.63 2jc1 h LEU 457 N 0.25 0.00 -0.63 2.35 3.38 -1.88 -2.10 115.31 116.69 2jc1 h LEU 457 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.63 2jc1 h LEU 457 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 2jc1 h LEU 457 CO -0.29 0.00 -0.04 0.47 0.09 0.00 0.00 178.44 178.68 2jc1 n ASP 458 N -3.02 1.02 -0.26 -0.43 8.00 0.19 -4.51 116.55 117.53 2jc1 n ASP 458 Ca -0.02 -1.23 -0.02 0.00 0.71 0.00 0.00 54.79 54.23 2jc1 n ASP 458 Cb 0.12 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.54 0.71 -0.20 0.64 3.38 -1.50 -3.02 115.31 116.85 2jc1 h LEU 459 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2jc1 h LEU 459 Cb 0.38 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2jc1 h LEU 459 CO 0.00 0.47 -0.09 -0.65 0.09 0.00 0.00 178.44 178.26 2jc1 h PRO 460 N 0.85 -0.07 -0.49 1.13 0.11 -1.84 -0.64 132.00 131.05 2jc1 h PRO 460 Ca 0.31 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.40 2jc1 h PRO 460 Cb 0.10 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 2jc1 h PRO 460 CO -0.15 -0.04 0.17 1.96 -0.21 0.00 0.00 178.00 179.73 2jc1 h GLN 461 N -0.07 0.71 -0.31 1.05 7.50 -1.92 -0.34 115.11 121.74 2jc1 h GLN 461 Ca 0.11 -0.11 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 2jc1 h GLN 461 Cb 0.23 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 2jc1 h GLN 461 CO -0.25 0.60 0.16 0.82 -1.50 0.00 0.00 178.83 178.67 2jc1 h ILE 462 N 0.70 1.14 -0.22 2.54 2.04 -1.27 -1.88 117.51 120.55 2jc1 h ILE 462 Ca 0.17 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2jc1 h ILE 462 Cb 0.18 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2jc1 h ILE 462 CO -0.01 0.15 -0.01 0.40 0.00 0.00 0.00 178.15 178.67 2jc1 h ILE 463 N 0.37 1.26 -0.41 -0.67 2.04 -0.86 -1.89 117.51 117.35 2jc1 h ILE 463 Ca 0.11 -0.92 0.08 0.00 1.00 0.00 0.00 64.86 65.13 2jc1 h ILE 463 Cb 0.09 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 2jc1 h ILE 463 CO -0.02 0.28 -0.11 -0.08 0.00 0.00 0.00 178.15 178.23 2jc1 h GLU 464 N 0.16 -0.01 -0.48 2.37 4.81 -1.02 -1.13 114.58 119.29 2jc1 h GLU 464 Ca 0.06 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2jc1 h GLU 464 Cb 0.43 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2jc1 h GLU 464 CO 0.01 -0.00 0.28 0.00 -0.73 0.00 0.00 179.01 178.57 2jc1 h ARG 465 N -0.01 0.54 0.00 1.92 2.47 -1.18 0.11 114.38 118.24 2jc1 h ARG 465 Ca 0.20 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 2jc1 h ARG 465 Cb 0.31 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2jc1 h ARG 465 CO -0.43 0.36 -0.53 -0.07 0.56 0.00 0.00 179.97 179.86 2jc1 h LEU 466 N 0.56 0.00 0.00 3.04 3.38 -0.97 -3.39 115.31 117.92 2jc1 h LEU 466 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jc1 h LEU 466 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jc1 h LEU 466 CO -0.09 0.04 -0.21 1.41 0.09 0.00 0.00 178.44 179.68 2jc1 n HIS 467 N -2.47 0.00 0.00 1.13 8.25 -0.46 -2.61 115.22 119.06 2jc1 n HIS 467 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2jc1 n HIS 467 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 0.69 -0.74 0.29 -1.41 0.00 0.39 -4.49 105.19 99.93 2jc1 n GLY 468 Ca 0.00 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 -1.85 0.99 6.46 -1.88 -2.62 115.31 116.40 2jc1 h LEU 469 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2jc1 h LEU 469 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2jc1 h LEU 469 CO 0.00 0.00 -0.06 0.77 -0.62 0.00 0.00 178.44 178.53 2jc1 h SER 470 N 0.00 0.00 -0.81 1.25 4.64 -1.94 -2.68 113.55 114.00 2jc1 h SER 470 Ca 0.03 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.58 2jc1 h SER 470 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 2jc1 h SER 470 CO -0.00 0.06 0.58 0.00 -0.87 0.00 0.00 176.83 176.60 2jc1 h ALA 471 N 1.94 2.65 -0.00 5.18 0.00 -1.69 0.91 119.26 128.25 2jc1 h ALA 471 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jc1 h ALA 471 Cb 0.39 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jc1 h ALA 471 CO 0.01 -0.89 -0.08 1.19 0.00 0.00 0.00 179.25 179.48 2jc1 n PHE 472 N -4.34 0.00 -0.05 0.00 3.72 -1.01 -4.06 117.46 111.72 2jc1 n PHE 472 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 2jc1 n PHE 472 Cb 0.83 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2jc1 n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jc1 n SER 473 N -1.25 0.67 -4.77 4.37 7.64 0.25 -4.30 113.62 116.23 2jc1 n SER 473 Ca 0.12 -0.85 -0.40 0.00 1.01 0.00 0.00 58.87 58.75 2jc1 n SER 473 Cb 0.28 0.26 0.01 0.00 -1.01 0.00 0.00 64.21 63.76 2jc1 n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jc1 s LEU 474 N -0.52 4.13 0.00 -3.43 1.43 -0.81 -4.10 118.68 115.38 2jc1 s LEU 474 Ca 0.00 2.88 -0.12 0.00 -1.03 0.00 0.00 54.13 55.85 2jc1 s LEU 474 Cb 0.00 -3.93 0.05 0.00 0.03 0.00 0.00 46.19 42.34 2jc1 s LEU 474 CO 0.00 -1.13 0.73 0.00 0.23 0.00 0.00 176.35 176.18 2jc1 n HIS 475 N -0.15 -2.20 -3.58 0.29 1.44 -0.59 -4.95 115.22 105.48 2jc1 n HIS 475 Ca 0.05 -1.89 -0.27 0.00 -2.01 0.00 0.00 57.72 53.59 2jc1 n HIS 475 Cb 0.42 0.85 0.05 0.00 0.12 0.00 0.00 29.99 31.43 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 -1.54 -5.67 -4.77 4.39 7.64 -1.26 -1.00 113.62 111.41 2jc1 n SER 476 Ca -0.07 -0.93 -0.30 0.00 1.01 0.00 0.00 58.87 58.58 2jc1 n SER 476 Cb 0.58 -3.75 0.11 0.00 -1.01 0.00 0.00 64.21 60.14 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 -3.42 2.60 0.44 1.43 2.02 -1.26 -4.05 117.35 115.11 2jc1 s TYR 477 Ca 0.45 1.21 -0.22 0.00 -0.37 0.00 0.00 57.07 58.14 2jc1 s TYR 477 Cb -0.14 -3.14 -0.10 0.00 -0.40 0.00 0.00 41.96 38.19 2jc1 s TYR 477 CO 0.84 -2.04 1.00 -1.54 -1.57 0.00 0.00 175.55 172.23 2jc1 s SER 478 N -3.67 6.70 0.29 2.29 1.04 -1.23 -4.87 113.70 114.25 2jc1 s SER 478 Ca 0.62 1.86 0.03 0.00 0.48 0.00 0.00 55.95 58.94 2jc1 s SER 478 Cb -0.16 -2.56 0.63 0.00 0.10 0.00 0.00 66.02 64.03 2jc1 s SER 478 CO 0.55 -0.53 1.82 -0.65 0.98 0.00 0.00 173.24 175.42 2jc1 h PRO 479 N 1.98 0.89 -0.49 4.02 0.11 -1.96 0.26 132.00 136.81 2jc1 h PRO 479 Ca -0.49 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.58 2jc1 h PRO 479 Cb 1.20 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2jc1 h PRO 479 CO 0.61 0.59 0.31 0.78 -0.21 0.00 0.00 178.00 180.07 2jc1 h GLY 480 N 0.91 0.69 0.82 -0.55 0.00 -1.99 -0.43 103.07 102.53 2jc1 h GLY 480 Ca 0.52 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 2jc1 h GLY 480 CO -0.29 0.22 -0.28 -2.09 0.00 0.00 0.00 176.54 174.10 2jc1 h GLU 481 N 0.62 0.48 -0.40 4.80 4.57 -1.66 -1.60 114.58 121.39 2jc1 h GLU 481 Ca 0.19 -0.30 0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2jc1 h GLU 481 Cb -0.02 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 2jc1 h GLU 481 CO -0.07 0.89 0.19 0.82 -1.18 0.00 0.00 179.01 179.66 2jc1 h ILE 482 N 0.12 0.95 -0.66 2.32 2.04 -0.97 -1.77 117.51 119.55 2jc1 h ILE 482 Ca 0.01 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2jc1 h ILE 482 Cb 0.86 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2jc1 h ILE 482 CO 0.06 0.07 0.26 0.78 0.00 0.00 0.00 178.15 179.32 2jc1 h ASN 483 N 0.38 0.88 -0.46 1.72 2.35 -1.02 -0.48 115.58 118.96 2jc1 h ASN 483 Ca 0.18 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2jc1 h ASN 483 Cb 0.10 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2jc1 h ASN 483 CO -0.14 0.79 0.20 -0.09 -1.65 0.00 0.00 177.43 176.54 2jc1 h ARG 484 N 0.95 0.68 0.02 0.81 2.43 -0.79 -1.12 114.38 117.35 2jc1 h ARG 484 Ca 0.22 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2jc1 h ARG 484 Cb 0.19 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2jc1 h ARG 484 CO -0.02 0.60 -0.01 0.28 -1.51 0.00 0.00 179.97 179.31 2jc1 h VAL 485 N 0.60 1.18 -0.99 0.20 2.07 -1.10 -1.60 116.25 116.61 2jc1 h VAL 485 Ca 0.15 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.09 2jc1 h VAL 485 Cb 0.17 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 2jc1 h VAL 485 CO -0.02 0.16 0.64 0.00 0.02 0.00 0.00 177.57 178.38 2jc1 h ALA 486 N 0.67 1.38 -0.24 1.67 0.00 -1.02 -1.72 119.26 120.00 2jc1 h ALA 486 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2jc1 h ALA 486 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jc1 h ALA 486 CO 0.00 0.51 -0.07 0.77 0.00 0.00 0.00 179.25 180.46 2jc1 h SER 487 N 1.21 0.48 -0.50 0.00 0.02 -1.07 -2.54 113.55 111.15 2jc1 h SER 487 Ca 0.40 -0.38 0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2jc1 h SER 487 Cb 0.06 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.40 2jc1 h SER 487 CO -0.14 0.75 0.07 0.00 -1.14 0.00 0.00 176.83 176.37 2jc1 h LEU 489 N 0.20 0.47 -0.91 0.00 3.38 -1.24 -0.93 115.31 116.28 2jc1 h LEU 489 Ca 0.25 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2jc1 h LEU 489 Cb 0.35 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2jc1 h LEU 489 CO -0.35 0.34 0.40 0.03 0.09 0.00 0.00 178.44 178.95 2jc1 h ARG 490 N 0.56 1.19 -0.60 1.13 3.08 -1.26 0.12 114.38 118.60 2jc1 h ARG 490 Ca 0.16 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2jc1 h ARG 490 Cb -0.06 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.75 2jc1 h ARG 490 CO -0.04 0.91 0.05 -0.22 -1.07 0.00 0.00 179.97 179.60 2jc1 h LYS 491 N 1.18 1.00 0.00 0.04 3.64 -0.83 -3.14 116.57 118.46 2jc1 h LYS 491 Ca 0.29 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jc1 h LYS 491 Cb 0.11 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2jc1 h LYS 491 CO -0.04 0.95 -0.71 1.28 -2.27 0.00 0.00 179.45 178.66 2jc1 n LEU 492 N -4.20 0.62 -1.66 5.20 4.32 -0.39 -4.90 117.00 115.98 2jc1 n LEU 492 Ca 0.04 0.07 -0.09 0.00 -0.02 0.00 0.00 56.01 56.01 2jc1 n LEU 492 Cb 0.31 -0.17 0.03 0.00 -1.62 0.00 0.00 43.42 41.96 2jc1 n LEU 492 CO 0.43 0.04 0.09 0.61 -1.22 0.00 0.00 177.39 177.33 2jc1 n GLY 493 N 1.40 0.38 3.79 -0.72 0.00 -0.46 -1.49 105.19 108.09 2jc1 n GLY 493 Ca 0.04 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.12 5.01 0.48 1.61 1.01 0.28 -0.75 120.40 124.91 2jc1 s VAL 494 Ca 0.20 0.97 -0.22 0.00 0.00 0.00 0.00 61.98 62.94 2jc1 s VAL 494 Cb -0.09 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 2jc1 s VAL 494 CO 0.27 0.49 0.79 -2.65 0.00 0.00 0.00 175.10 174.00 2jc1 n PRO 495 N 2.40 0.91 -1.90 2.72 -0.02 -1.26 -4.53 135.00 133.31 2jc1 n PRO 495 Ca -0.11 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 2jc1 n PRO 495 Cb 0.52 -1.86 0.04 0.00 -0.02 0.00 0.00 33.50 32.18 2jc1 n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jc1 s PRO 496 N -2.04 2.86 0.49 0.52 0.04 -1.26 -4.86 135.00 130.75 2jc1 s PRO 496 Ca 0.66 1.69 0.35 0.00 0.04 0.00 0.00 61.00 63.75 2jc1 s PRO 496 Cb -0.52 -1.93 1.49 0.00 0.04 0.00 0.00 34.50 33.58 2jc1 s PRO 496 CO 0.55 -1.27 1.69 -0.07 0.04 0.00 0.00 177.00 177.94 2jc1 h LEU 497 N 0.57 0.14 -1.35 -3.56 3.38 -1.99 0.38 115.31 112.87 2jc1 h LEU 497 Ca -0.49 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2jc1 h LEU 497 Cb 1.28 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2jc1 h LEU 497 CO 0.54 -0.04 0.10 0.08 0.09 0.00 0.00 178.44 179.21 2jc1 h ARG 498 N 0.09 0.54 -0.64 1.13 0.11 -2.00 -1.67 114.38 111.93 2jc1 h ARG 498 Ca 0.74 -0.08 -0.08 0.00 0.10 0.00 0.00 59.98 60.66 2jc1 h ARG 498 Cb 2.62 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 33.58 2jc1 h ARG 498 CO -0.18 0.49 0.08 0.28 0.10 0.00 0.00 179.97 180.74 2jc1 h VAL 499 N 0.53 1.26 -0.54 0.08 2.07 -0.58 -2.79 116.25 116.27 2jc1 h VAL 499 Ca 0.13 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 2jc1 h VAL 499 Cb 0.19 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2jc1 h VAL 499 CO -0.01 0.39 -0.00 -0.50 0.02 0.00 0.00 177.57 177.47 2jc1 h TRP 500 N 0.99 1.05 -0.59 1.57 4.06 -1.38 -0.82 115.95 120.84 2jc1 h TRP 500 Ca 0.19 -0.18 0.05 0.00 2.06 0.00 0.00 58.89 61.00 2jc1 h TRP 500 Cb 0.45 -0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 28.29 2jc1 h TRP 500 CO 0.03 0.96 0.33 -0.09 -3.56 0.00 0.00 178.44 176.11 2jc1 h ARG 501 N 0.84 0.61 -0.24 0.49 2.43 -1.29 0.17 114.38 117.39 2jc1 h ARG 501 Ca 0.15 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2jc1 h ARG 501 Cb 0.54 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2jc1 h ARG 501 CO 0.03 0.40 0.13 1.25 -1.51 0.00 0.00 179.97 180.27 2jc1 h HIS 502 N 0.62 0.33 -0.61 2.20 2.76 -1.16 -2.64 115.15 116.65 2jc1 h HIS 502 Ca 0.26 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 2jc1 h HIS 502 Cb 0.12 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 2jc1 h HIS 502 CO -0.08 0.29 0.26 0.00 -1.30 0.00 0.00 177.93 177.10 2jc1 h ARG 503 N 0.28 0.87 -0.01 5.26 3.08 -0.64 -3.11 114.38 120.10 2jc1 h ARG 503 Ca 0.08 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 2jc1 h ARG 503 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2jc1 h ARG 503 CO -0.01 0.69 -0.63 0.00 -1.07 0.00 0.00 179.97 178.96 2jc1 h ALA 504 N 1.43 0.95 -0.37 0.04 0.00 -0.33 -2.21 119.26 118.76 2jc1 h ALA 504 Ca 0.21 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 54.60 2jc1 h ALA 504 Cb 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2jc1 h ALA 504 CO -0.02 0.77 0.11 0.00 0.00 0.00 0.00 179.25 180.12 2jc1 h ARG 505 N 0.03 0.25 -0.12 0.00 3.08 -1.42 0.43 114.38 116.63 2jc1 h ARG 505 Ca -0.01 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2jc1 h ARG 505 Cb 1.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 2jc1 h ARG 505 CO 0.08 0.17 -0.02 1.03 -1.07 0.00 0.00 179.97 180.16 2jc1 h SER 506 N 0.26 -0.08 -0.25 7.04 0.87 -1.54 -0.66 113.55 119.18 2jc1 h SER 506 Ca 0.17 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 2jc1 h SER 506 Cb 0.17 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2jc1 h SER 506 CO -0.19 -0.02 0.12 0.58 -0.53 0.00 0.00 176.83 176.78 2jc1 h VAL 507 N 0.02 0.99 -0.21 2.23 2.07 -0.94 -0.03 116.25 120.37 2jc1 h VAL 507 Ca 0.06 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2jc1 h VAL 507 Cb 0.08 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2jc1 h VAL 507 CO -0.11 0.05 -0.07 -0.09 0.02 0.00 0.00 177.57 177.37 2jc1 h ARG 508 N 0.26 -0.03 -0.18 1.57 2.43 -0.06 -1.34 114.38 117.04 2jc1 h ARG 508 Ca 0.10 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2jc1 h ARG 508 Cb 0.03 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2jc1 h ARG 508 CO -0.07 -0.02 -0.01 0.00 -1.51 0.00 0.00 179.97 178.35 2jc1 h ALA 509 N 1.17 0.14 -0.63 2.80 0.00 -0.46 -1.20 119.26 121.08 2jc1 h ALA 509 Ca 0.11 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2jc1 h ALA 509 Cb 0.19 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2jc1 h ALA 509 CO -0.24 -0.45 0.33 0.00 0.00 0.00 0.00 179.25 178.89 2jc1 h ARG 510 N 0.04 0.59 -0.49 0.00 3.08 -0.82 -2.80 114.38 113.98 2jc1 h ARG 510 Ca 0.08 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2jc1 h ARG 510 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2jc1 h ARG 510 CO -0.15 0.39 0.08 -0.07 -1.07 0.00 0.00 179.97 179.15 2jc1 h LEU 511 N 0.61 0.78 -1.62 3.04 3.38 -0.83 -3.10 115.31 117.57 2jc1 h LEU 511 Ca 0.29 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2jc1 h LEU 511 Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2jc1 h LEU 511 CO -0.20 0.84 0.34 -0.07 0.09 0.00 0.00 178.44 179.44 2jc1 h LEU 512 N 0.68 0.41 -0.74 1.67 3.38 -0.98 -2.23 115.31 117.51 2jc1 h LEU 512 Ca 0.15 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2jc1 h LEU 512 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2jc1 h LEU 512 CO 0.01 0.28 -0.35 0.28 0.09 0.00 0.00 178.44 178.75 2jc1 h SER 513 N 0.48 0.00 1.02 -0.43 0.02 -1.44 -3.06 113.55 110.14 2jc1 h SER 513 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2jc1 h SER 513 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2jc1 h SER 513 CO -0.06 0.35 -0.01 0.00 -1.14 0.00 0.00 176.83 175.97 2jc1 n GLN 514 N -3.40 0.02 -0.08 3.45 6.02 -0.88 -5.01 117.38 117.51 2jc1 n GLN 514 Ca 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 2jc1 n GLN 514 Cb 0.54 -1.52 -0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 1.49 -1.97 7.00 1.08 0.00 -1.16 -4.84 105.19 106.79 2jc1 n GLY 515 Ca 0.07 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.46 1.80 0.35 -0.02 0.00 -1.26 -1.04 105.19 104.56 2jc1 n GLY 516 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 0.82 -0.40 1.61 3.08 -1.93 -1.60 114.38 115.96 2jc1 h ARG 517 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2jc1 h ARG 517 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2jc1 h ARG 517 CO 0.00 0.54 0.19 0.00 -1.07 0.00 0.00 179.97 179.63 2jc1 h ALA 518 N 1.59 0.52 -0.82 0.04 0.00 -1.72 -1.14 119.26 117.73 2jc1 h ALA 518 Ca 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2jc1 h ALA 518 Cb 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2jc1 h ALA 518 CO -0.09 0.09 0.38 0.00 0.00 0.00 0.00 179.25 179.63 2jc1 h ALA 519 N 1.04 1.06 -0.78 0.00 0.00 -0.23 -1.52 119.26 118.82 2jc1 h ALA 519 Ca 0.14 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2jc1 h ALA 519 Cb 0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 2jc1 h ALA 519 CO -0.02 0.63 0.44 1.15 0.00 0.00 0.00 179.25 181.46 2jc1 h THR 520 N 1.17 0.92 -0.43 0.00 2.02 -0.91 0.22 112.91 115.90 2jc1 h THR 520 Ca 0.28 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2jc1 h THR 520 Cb 0.14 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 2jc1 h THR 520 CO -0.03 0.14 0.27 0.00 0.37 0.00 0.00 175.52 176.27 2jc1 h GLY 522 N 0.58 0.45 0.95 0.00 0.00 -0.46 -1.01 103.07 103.58 2jc1 h GLY 522 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2jc1 h GLY 522 CO -0.03 0.17 0.16 1.70 0.00 0.00 0.00 176.54 178.54 2jc1 h LYS 523 N 0.42 0.46 0.00 4.80 3.64 -0.43 -2.83 116.57 122.62 2jc1 h LYS 523 Ca 0.11 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.22 2jc1 h LYS 523 Cb -0.02 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2jc1 h LYS 523 CO -0.02 0.42 -1.29 0.66 -2.27 0.00 0.00 179.45 176.94 2jc1 n TYR 524 N -4.77 0.77 0.05 1.91 4.02 -0.58 -3.17 117.16 115.40 2jc1 n TYR 524 Ca -0.01 0.34 0.01 0.00 -0.01 0.00 0.00 57.90 58.22 2jc1 n TYR 524 Cb 0.10 -0.98 0.34 0.00 -0.02 0.00 0.00 39.34 38.78 2jc1 n TYR 524 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2jc1 h LEU 525 N -1.00 0.38 -3.13 7.72 3.38 -1.36 -3.21 115.31 118.08 2jc1 h LEU 525 Ca -0.31 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2jc1 h LEU 525 Cb 1.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2jc1 h LEU 525 CO -0.19 0.49 0.00 0.49 0.09 0.00 0.00 178.44 179.32 2jc1 n PHE 526 N -4.28 0.66 0.25 1.13 3.72 -1.07 -4.63 117.46 113.25 2jc1 n PHE 526 Ca 0.01 -0.80 0.08 0.00 -0.05 0.00 0.00 57.45 56.68 2jc1 n PHE 526 Cb 0.26 -0.22 0.62 0.00 -0.94 0.00 0.00 39.48 39.20 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 1.47 0.00 0.21 4.37 -0.00 -1.55 -1.46 115.58 118.62 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 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.51 2jc1 h ASN 527 CO 0.13 0.04 0.00 4.11 -0.00 0.00 0.00 177.43 181.72 2jc1 h TRP 528 N 0.00 0.00 -0.00 0.67 5.08 -1.82 -2.81 115.95 117.07 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 0.07 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.23 2jc1 h TRP 528 CO 0.00 0.00 -0.38 0.00 -1.28 0.00 0.00 178.44 176.78 2jc1 n ALA 529 N -1.91 3.28 -2.77 0.11 0.00 -0.55 -4.91 120.51 113.75 2jc1 n ALA 529 Ca -0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 2jc1 n ALA 529 Cb 0.10 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 2jc1 n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jc1 s VAL 530 N -2.89 5.25 0.04 0.00 -7.23 -1.06 -4.75 120.40 109.75 2jc1 s VAL 530 Ca 0.15 -0.19 -0.26 0.00 -1.81 0.00 0.00 61.98 59.87 2jc1 s VAL 530 Cb 0.18 -3.65 -0.17 0.00 0.56 0.00 0.00 36.38 33.30 2jc1 s VAL 530 CO 0.64 0.02 1.45 0.11 -0.31 0.00 0.00 175.10 177.01 2jc1 h LYS 531 N 2.72 -0.27 -5.84 4.82 1.57 -1.91 -3.51 116.57 114.17 2jc1 h LYS 531 Ca -0.46 0.02 -0.64 0.00 -1.87 0.00 0.00 60.65 57.69 2jc1 h LYS 531 Cb 1.17 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 2jc1 h LYS 531 CO 0.73 -0.02 -0.51 0.99 -0.57 0.00 0.00 179.45 180.07 2jc1 s THR 532 N -5.25 5.30 -0.30 -0.16 2.01 -1.26 -5.20 115.64 110.78 2jc1 s THR 532 Ca -0.15 -0.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.48 2jc1 s THR 532 Cb 0.03 -3.46 0.19 0.00 0.01 0.00 0.00 72.50 69.28 2jc1 s THR 532 CO 0.62 0.35 1.24 -0.76 -0.69 0.00 0.00 174.62 175.37 2jc1 s LEU 536 N -1.85 -0.14 0.41 4.42 1.43 -1.26 -5.17 118.68 116.52 2jc1 s LEU 536 Ca 0.26 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 2jc1 s LEU 536 Cb -0.12 1.15 0.00 0.00 0.03 0.00 0.00 46.19 47.25 2jc1 s LEU 536 CO 0.17 -0.03 0.57 0.42 0.23 0.00 0.00 176.35 177.71 2jc1 s THR 537 N 2.23 3.56 0.84 5.49 -4.23 -1.26 -5.08 115.64 117.19 2jc1 s THR 537 Ca -0.01 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.47 2jc1 s THR 537 Cb -0.02 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 2jc1 s THR 537 CO -0.15 -0.12 0.27 -2.65 -0.54 0.00 0.00 174.62 171.44 2jc1 n PRO 538 N -1.86 0.01 0.00 3.99 -0.02 -1.26 -5.15 135.00 130.71 2jc1 n PRO 538 Ca 0.04 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2jc1 n PRO 538 Cb 0.58 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2jc1 n PRO 538 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2jc1 n ILE 539 N -2.84 0.00 0.00 4.25 5.41 -1.26 -5.25 119.36 119.68 2jc1 n ILE 539 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2jc1 n ILE 539 Cb 0.52 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 2jc1 n ILE 539 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 2jc1 n TRP 550 N -0.38 0.00 -3.44 1.39 7.02 -1.26 -5.11 117.44 115.66 2jc1 n TRP 550 Ca 0.00 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.22 2jc1 n TRP 550 Cb 0.00 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.80 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 1.02 -0.06 -5.99 3.72 -1.26 -4.83 117.46 110.06 2jc1 n PHE 551 Ca 0.00 -3.76 -0.12 0.00 -0.05 0.00 0.00 57.45 53.52 2jc1 n PHE 551 Cb 0.00 -0.26 -0.04 0.00 -0.94 0.00 0.00 39.48 38.23 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 1.84 0.66 -4.03 -4.37 0.31 -1.21 -4.34 118.33 107.18 2jc1 n VAL 552 Ca 0.25 -0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.30 2jc1 n VAL 552 Cb 0.45 -1.51 -0.06 0.00 -0.91 0.00 0.00 33.84 31.82 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 -2.22 0.08 -0.02 3.52 0.00 -1.25 -3.99 121.76 117.88 2jc1 s ALA 553 Ca -0.17 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2jc1 s ALA 553 Cb 0.06 1.11 -0.04 0.00 0.00 0.00 0.00 23.12 24.26 2jc1 s ALA 553 CO 0.22 -0.82 0.03 0.20 0.00 0.00 0.00 175.76 175.40 2jc1 s GLY 554 N -3.07 1.93 -0.02 0.00 0.00 -1.26 -4.93 107.32 99.96 2jc1 s GLY 554 Ca 0.26 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 44.12 2jc1 s GLY 554 CO 0.11 -0.74 1.03 -1.72 0.00 0.00 0.00 173.10 171.78 2jc1 n TYR 555 N 1.46 0.00 -1.68 1.90 4.01 -1.15 -4.45 117.16 117.24 2jc1 n TYR 555 Ca -0.15 -0.20 -0.45 0.00 -0.16 0.00 0.00 57.90 56.95 2jc1 n TYR 555 Cb 0.53 -0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 39.45 2jc1 n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jc1 n SER 556 N -0.27 3.49 0.00 7.72 2.88 -1.23 0.10 113.62 126.31 2jc1 n SER 556 Ca 0.03 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 2jc1 n SER 556 Cb 0.69 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 2jc1 n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jc1 n GLY 557 N 3.77 2.12 0.61 0.46 0.00 -1.26 -4.08 105.19 106.82 2jc1 n GLY 557 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 0.35 3.33 -0.02 0.00 0.28 -2.73 105.19 104.40 2jc1 n GLY 558 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 0.46 -2.32 -4.43 1.61 2.03 -1.26 -4.53 116.55 108.12 2jc1 n ASP 559 Ca 0.17 -0.60 -0.33 0.00 0.52 0.00 0.00 54.79 54.55 2jc1 n ASP 559 Cb 0.39 -4.96 -0.14 0.00 -0.72 0.00 0.00 41.12 35.70 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 -3.35 3.09 -0.14 5.18 -1.09 -1.26 -4.34 121.20 119.29 2jc1 s ILE 560 Ca 0.03 -0.68 -0.03 0.00 -2.23 0.00 0.00 60.65 57.74 2jc1 s ILE 560 Cb -0.00 -2.25 -0.03 0.00 -1.58 0.00 0.00 42.46 38.60 2jc1 s ILE 560 CO 0.70 0.56 -0.06 -0.47 -1.23 0.00 0.00 174.94 174.45 2jc1 s TYR 561 N -0.25 2.98 -0.47 3.97 5.04 0.65 -1.00 117.35 128.27 2jc1 s TYR 561 Ca 0.01 -0.33 -0.11 0.00 -2.44 0.00 0.00 57.07 54.20 2jc1 s TYR 561 Cb -0.13 -1.92 0.11 0.00 0.35 0.00 0.00 41.96 40.37 2jc1 s TYR 561 CO 0.03 -0.04 0.36 -1.58 -1.34 0.00 0.00 175.55 172.99 2jc1 s HIS 562 N 0.27 3.35 -2.00 4.97 5.65 0.51 -4.71 115.29 123.32 2jc1 s HIS 562 Ca -0.04 -1.56 0.10 0.00 0.25 0.00 0.00 55.06 53.81 2jc1 s HIS 562 Cb -0.14 -3.40 0.60 0.00 -1.18 0.00 0.00 32.58 28.46 2jc1 s HIS 562 CO 0.03 -0.94 1.05 -1.13 -0.65 0.00 0.00 174.74 173.10