#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkc s LYS 3 N 0.00 4.46 0.89 3.52 2.20 -1.26 -4.88 119.74 124.67 2jkc s LYS 3 Ca 0.00 2.05 -0.12 0.00 -0.36 0.00 0.00 55.97 57.54 2jkc s LYS 3 Cb 0.00 -3.13 0.13 0.00 -1.51 0.00 0.00 37.83 33.31 2jkc s LYS 3 CO 0.00 -0.06 1.10 -1.25 -0.36 0.00 0.00 175.35 174.77 2jkc s PRO 4 N -1.35 1.27 -0.14 4.03 0.04 -1.26 -1.22 135.00 136.37 2jkc s PRO 4 Ca 0.49 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.88 2jkc s PRO 4 Cb -0.36 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2jkc s PRO 4 CO 0.46 -2.18 1.56 0.42 0.04 0.00 0.00 177.00 177.30 2jkc s ILE 5 N -3.04 3.77 -0.20 0.56 -1.09 -1.26 -4.52 121.20 115.41 2jkc s ILE 5 Ca 0.63 0.91 -0.13 0.00 -2.23 0.00 0.00 60.65 59.83 2jkc s ILE 5 Cb -0.17 -3.66 -0.08 0.00 -1.58 0.00 0.00 42.46 36.97 2jkc s ILE 5 CO 0.56 -0.17 -0.30 1.17 -1.23 0.00 0.00 174.94 174.97 2jkc n LYS 6 N 7.22 0.48 -4.03 2.79 3.00 -1.26 -4.86 118.16 121.51 2jkc n LYS 6 Ca 0.17 0.21 -0.35 0.00 -0.00 0.00 0.00 58.31 58.34 2jkc n LYS 6 Cb 0.44 -1.32 -0.11 0.00 0.00 0.00 0.00 35.03 34.04 2jkc n LYS 6 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2jkc s ASN 7 N -6.71 5.30 -0.10 3.14 0.01 -1.26 -1.04 114.94 114.28 2jkc s ASN 7 Ca -0.30 -0.05 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 2jkc s ASN 7 Cb 0.09 -1.91 0.01 0.00 0.41 0.00 0.00 41.25 39.85 2jkc s ASN 7 CO 0.40 0.11 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.29 2jkc s ILE 8 N 0.73 1.63 -0.14 0.60 1.01 0.89 -0.32 121.20 125.61 2jkc s ILE 8 Ca 0.02 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2jkc s ILE 8 Cb -0.14 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.87 2jkc s ILE 8 CO 0.02 0.47 -0.16 -0.69 0.00 0.00 0.00 174.94 174.57 2jkc s VAL 9 N 0.68 2.65 -0.16 2.92 1.01 -0.68 -0.62 120.40 126.20 2jkc s VAL 9 Ca -0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2jkc s VAL 9 Cb -0.16 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2jkc s VAL 9 CO 0.03 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 175.00 2jkc s ILE 10 N 0.59 3.94 -0.25 2.22 1.01 0.13 -0.92 121.20 127.93 2jkc s ILE 10 Ca -0.09 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 2jkc s ILE 10 Cb -0.16 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2jkc s ILE 10 CO 0.03 0.48 0.12 -0.69 0.00 0.00 0.00 174.94 174.89 2jkc s VAL 11 N 0.44 4.90 0.00 2.92 1.01 -0.20 -0.64 120.40 128.83 2jkc s VAL 11 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2jkc s VAL 11 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2jkc s VAL 11 CO 0.03 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2jkc n GLY 12 N 4.64 3.85 0.71 4.51 0.00 0.17 0.29 105.19 119.35 2jkc n GLY 12 Ca -0.15 -1.15 0.04 0.00 0.00 0.00 0.00 46.02 44.76 2jkc n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkc n GLY 13 N 0.00 4.75 0.00 -0.02 0.00 -1.26 -4.04 105.19 104.62 2jkc n GLY 13 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2jkc n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkc n GLY 14 N -1.06 -1.30 0.32 -0.02 0.00 -1.26 -4.76 105.19 97.11 2jkc n GLY 14 Ca 0.23 -1.55 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 2jkc n GLY 14 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jkc h THR 15 N -0.27 1.24 0.13 2.61 2.02 -1.95 -2.90 112.91 113.78 2jkc h THR 15 Ca 0.00 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2jkc h THR 15 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2jkc h THR 15 CO 0.00 0.32 -0.06 0.00 0.37 0.00 0.00 175.52 176.15 2jkc h ALA 16 N 1.27 -0.17 -0.41 6.16 0.00 -1.91 -1.22 119.26 122.97 2jkc h ALA 16 Ca 0.21 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2jkc h ALA 16 Cb 0.28 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2jkc h ALA 16 CO -0.01 -0.50 -0.07 0.78 0.00 0.00 0.00 179.25 179.44 2jkc h GLY 17 N -0.36 0.33 2.00 0.00 0.00 -1.69 0.26 103.07 103.60 2jkc h GLY 17 Ca -0.02 0.11 -0.18 0.00 0.00 0.00 0.00 47.33 47.24 2jkc h GLY 17 CO 0.03 -0.14 -0.88 1.49 0.00 0.00 0.00 176.54 177.04 2jkc h TRP 18 N 0.03 0.00 -0.25 5.60 4.06 -1.54 -0.96 115.95 122.89 2jkc h TRP 18 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 2jkc h TRP 18 Cb 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 2jkc h TRP 18 CO -0.34 0.88 0.16 0.52 -3.56 0.00 0.00 178.44 176.10 2jkc h MET 19 N 0.00 0.32 -0.23 0.49 2.86 -1.00 -2.01 114.93 115.37 2jkc h MET 19 Ca -0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2jkc h MET 19 Cb 1.60 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.17 2jkc h MET 19 CO 0.11 0.21 0.12 0.00 1.06 0.00 0.00 176.91 178.42 2jkc h ALA 20 N 1.10 0.29 -0.03 6.32 0.00 -0.30 -0.36 119.26 126.27 2jkc h ALA 20 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jkc h ALA 20 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jkc h ALA 20 CO -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.04 2jkc h ALA 21 N 1.00 0.02 0.06 0.00 0.00 -1.21 -0.88 119.26 118.25 2jkc h ALA 21 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2jkc h ALA 21 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2jkc h ALA 21 CO -0.01 -0.50 -0.20 0.77 0.00 0.00 0.00 179.25 179.31 2jkc h SER 22 N -0.00 -0.58 -0.77 0.00 0.02 -1.29 -0.68 113.55 110.24 2jkc h SER 22 Ca 0.01 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2jkc h SER 22 Cb 0.02 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 2jkc h SER 22 CO -0.03 -0.28 0.45 0.22 -1.14 0.00 0.00 176.83 176.06 2jkc h TYR 23 N -0.36 1.03 -0.05 3.45 3.20 -0.93 -1.58 116.97 121.73 2jkc h TYR 23 Ca 0.04 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.69 2jkc h TYR 23 Cb 0.40 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2jkc h TYR 23 CO -0.22 0.70 -0.84 -0.07 -1.64 0.00 0.00 178.16 176.08 2jkc h LEU 24 N 1.06 0.59 -0.92 2.82 3.38 -1.14 0.36 115.31 121.46 2jkc h LEU 24 Ca 0.28 -0.43 0.15 0.00 0.09 0.00 0.00 57.88 57.97 2jkc h LEU 24 Cb -0.02 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.46 2jkc h LEU 24 CO -0.05 1.20 0.53 0.58 0.09 0.00 0.00 178.44 180.79 2jkc h VAL 25 N 0.30 0.78 0.03 1.22 2.07 -0.98 -1.29 116.25 118.38 2jkc h VAL 25 Ca -0.06 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 2jkc h VAL 25 Cb 1.46 -0.04 0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2jkc h VAL 25 CO 0.15 0.14 -0.69 -0.09 0.02 0.00 0.00 177.57 177.10 2jkc h ARG 26 N 0.75 0.41 -0.03 1.57 9.65 -1.11 -3.10 114.38 122.53 2jkc h ARG 26 Ca 0.50 -0.49 -0.19 0.00 -1.10 0.00 0.00 59.98 58.70 2jkc h ARG 26 Cb 0.66 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 2jkc h ARG 26 CO -0.34 1.15 -0.81 0.00 2.80 0.00 0.00 179.97 182.77 2jkc h ALA 27 N 0.27 0.55 -0.60 2.80 0.00 -0.75 -3.18 119.26 118.36 2jkc h ALA 27 Ca -0.10 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.02 2jkc h ALA 27 Cb 1.42 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 2jkc h ALA 27 CO 0.13 0.83 0.17 1.28 0.00 0.00 0.00 179.25 181.66 2jkc n LEU 28 N -3.76 5.38 -4.30 0.00 4.77 -0.50 -4.92 117.00 113.68 2jkc n LEU 28 Ca -0.04 -2.78 -0.37 0.00 -0.03 0.00 0.00 56.01 52.79 2jkc n LEU 28 Cb 0.76 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2jkc n LEU 28 CO 0.48 0.69 -0.08 0.00 -1.33 0.00 0.00 177.39 177.15 2jkc n GLN 29 N 0.11 -2.50 -0.72 3.23 1.13 -1.20 0.70 117.38 118.12 2jkc n GLN 29 Ca 0.32 0.31 -0.02 0.00 -1.94 0.00 0.00 57.00 55.66 2jkc n GLN 29 Cb 1.19 -4.93 -0.01 0.00 0.11 0.00 0.00 30.24 26.60 2jkc n GLN 29 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2jkc n GLN 30 N -4.31 -1.87 -0.65 -1.09 6.02 -1.17 -4.82 117.38 109.48 2jkc n GLN 30 Ca 0.06 0.37 -0.04 0.00 -0.01 0.00 0.00 57.00 57.37 2jkc n GLN 30 Cb 0.50 -4.14 -0.03 0.00 1.02 0.00 0.00 30.24 27.58 2jkc n GLN 30 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jkc n GLN 31 N 0.18 1.28 -3.65 -1.09 6.02 0.22 -4.76 117.38 115.58 2jkc n GLN 31 Ca -0.02 -0.34 -0.09 0.00 -0.01 0.00 0.00 57.00 56.53 2jkc n GLN 31 Cb 0.31 -1.27 -0.08 0.00 1.02 0.00 0.00 30.24 30.23 2jkc n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jkc s ALA 32 N 0.08 -1.71 -0.42 -1.58 0.00 -1.26 -4.85 121.76 112.00 2jkc s ALA 32 Ca 0.17 2.18 -0.25 0.00 0.00 0.00 0.00 51.96 54.06 2jkc s ALA 32 Cb 0.09 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.95 2jkc s ALA 32 CO -0.00 -0.35 0.90 -0.80 0.00 0.00 0.00 175.76 175.50 2jkc s ASN 33 N 1.30 6.55 -0.17 0.00 0.01 -0.21 -5.00 114.94 117.42 2jkc s ASN 33 Ca -0.08 0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 52.32 2jkc s ASN 33 Cb -0.05 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.15 2jkc s ASN 33 CO -0.14 -0.95 -0.10 -0.63 -1.51 0.00 0.00 177.10 173.78 2jkc s ILE 34 N 3.56 3.14 -0.11 0.60 1.01 -1.26 -0.08 121.20 128.06 2jkc s ILE 34 Ca 0.36 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2jkc s ILE 34 Cb -0.11 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.00 2jkc s ILE 34 CO 0.23 0.48 -0.18 -0.89 0.00 0.00 0.00 174.94 174.58 2jkc s THR 35 N 0.87 1.71 -0.16 2.92 2.01 0.20 -1.16 115.64 122.04 2jkc s THR 35 Ca -0.03 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 2jkc s THR 35 Cb -0.15 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 2jkc s THR 35 CO 0.00 0.48 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.15 2jkc s LEU 36 N 0.76 3.18 -0.12 4.42 0.20 0.12 0.17 118.68 127.42 2jkc s LEU 36 Ca -0.11 -0.16 -0.02 0.00 0.69 0.00 0.00 54.13 54.54 2jkc s LEU 36 Cb -0.16 -1.77 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 2jkc s LEU 36 CO 0.01 0.16 -0.06 -0.51 -0.29 0.00 0.00 176.35 175.66 2jkc s ILE 37 N 0.42 3.73 -0.01 6.68 2.07 0.18 -0.47 121.20 133.80 2jkc s ILE 37 Ca -0.04 -0.44 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 2jkc s ILE 37 Cb -0.14 -2.59 0.01 0.00 0.13 0.00 0.00 42.46 39.87 2jkc s ILE 37 CO 0.03 0.54 0.01 -1.83 -1.91 0.00 0.00 174.94 171.78 2jkc s GLU 38 N -0.07 -0.01 -0.05 3.50 -1.05 -0.04 -0.66 118.70 120.32 2jkc s GLU 38 Ca 0.01 0.08 -0.22 0.00 -0.15 0.00 0.00 54.97 54.69 2jkc s GLU 38 Cb -0.13 -0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.41 2jkc s GLU 38 CO 0.03 -0.07 0.63 0.45 0.95 0.00 0.00 175.26 177.25 2jkc s SER 39 N 0.44 6.94 0.38 0.83 0.15 -1.15 -2.20 113.70 119.10 2jkc s SER 39 Ca -0.04 1.13 0.20 0.00 0.70 0.00 0.00 55.95 57.94 2jkc s SER 39 Cb -0.05 -2.38 0.60 0.00 -1.71 0.00 0.00 66.02 62.48 2jkc s SER 39 CO -0.01 -0.02 1.69 0.00 1.20 0.00 0.00 173.24 176.10 2jkc h ALA 40 N 6.34 0.92 0.00 5.45 0.00 -1.93 -3.10 119.26 126.94 2jkc h ALA 40 Ca -0.42 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2jkc h ALA 40 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jkc h ALA 40 CO 0.73 0.40 -0.41 0.00 0.00 0.00 0.00 179.25 179.98 2jkc n ALA 41 N -2.23 2.85 -3.43 0.00 0.00 -1.26 -4.72 120.51 111.71 2jkc n ALA 41 Ca 0.01 -0.21 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 2jkc n ALA 41 Cb 0.54 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 2jkc n ALA 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jkc s ILE 42 N -3.10 3.41 0.67 0.00 1.01 -1.17 -5.11 121.20 116.91 2jkc s ILE 42 Ca 0.09 -1.27 -0.13 0.00 0.00 0.00 0.00 60.65 59.34 2jkc s ILE 42 Cb 0.15 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.67 2jkc s ILE 42 CO 0.67 -0.16 1.08 -2.84 0.00 0.00 0.00 174.94 173.69 2jkc s PRO 43 N 1.33 2.87 0.92 2.79 0.02 -1.26 -4.71 135.00 136.96 2jkc s PRO 43 Ca -0.03 1.16 -0.11 0.00 0.02 0.00 0.00 61.00 62.04 2jkc s PRO 43 Cb -0.20 -1.97 0.15 0.00 0.02 0.00 0.00 34.50 32.49 2jkc s PRO 43 CO 0.01 -1.16 1.11 1.03 -0.33 0.00 0.00 177.00 177.65 2jkc s ARG 44 N -4.54 1.01 0.45 5.54 0.52 -1.26 -4.93 118.95 115.73 2jkc s ARG 44 Ca 0.62 1.25 0.11 0.00 -0.52 0.00 0.00 55.73 57.19 2jkc s ARG 44 Cb -0.17 -1.75 1.01 0.00 0.52 0.00 0.00 34.95 34.57 2jkc s ARG 44 CO 0.47 -2.54 2.07 0.97 0.02 0.00 0.00 175.30 176.29 2jkc h ILE 45 N -1.79 1.08 0.00 1.52 6.09 -2.00 -3.46 117.51 118.94 2jkc h ILE 45 Ca -0.47 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 2jkc h ILE 45 Cb 1.27 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.40 2jkc h ILE 45 CO 0.47 0.09 0.00 0.61 -3.07 0.00 0.00 178.15 176.25 2jkc n GLY 46 N -1.39 0.43 3.50 8.18 0.00 -1.26 -5.05 105.19 109.60 2jkc n GLY 46 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2jkc n GLY 46 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jkc s VAL 47 N -2.16 0.58 0.00 1.61 -7.23 -1.26 -4.83 120.40 107.11 2jkc s VAL 47 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2jkc s VAL 47 Cb 0.00 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.57 2jkc s VAL 47 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2jkc n GLY 48 N -0.88 0.43 0.00 2.32 0.00 -1.26 -4.89 105.19 100.90 2jkc n GLY 48 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2jkc n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jkc n GLU 49 N 0.00 -0.25 -4.74 1.61 1.02 -1.26 -4.42 120.64 112.60 2jkc n GLU 49 Ca 0.00 -0.19 -0.25 0.00 -0.02 0.00 0.00 57.16 56.71 2jkc n GLU 49 Cb 0.00 -0.66 -0.15 0.00 -0.02 0.00 0.00 31.44 30.62 2jkc n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jkc s ALA 50 N -0.01 1.57 0.26 0.62 0.00 -1.26 -1.02 121.76 121.92 2jkc s ALA 50 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.13 2jkc s ALA 50 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2jkc s ALA 50 CO 0.00 0.37 0.23 0.25 0.00 0.00 0.00 175.76 176.60 2jkc n THR 51 N 2.27 0.00 -4.27 0.00 -2.24 -0.70 -4.86 114.28 104.47 2jkc n THR 51 Ca -0.16 -1.94 -0.16 0.00 -2.27 0.00 0.00 64.05 59.52 2jkc n THR 51 Cb 0.54 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 2jkc n THR 51 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2jkc s ILE 52 N -3.08 1.37 0.60 2.28 -4.36 -1.26 -4.32 121.20 112.43 2jkc s ILE 52 Ca 0.32 -2.01 0.31 0.00 -0.26 0.00 0.00 60.65 59.01 2jkc s ILE 52 Cb 0.02 -1.82 0.37 0.00 1.25 0.00 0.00 42.46 42.27 2jkc s ILE 52 CO 0.22 -0.62 2.23 -0.65 0.24 0.00 0.00 174.94 176.37 2jkc h PRO 53 N 2.91 0.00 0.00 0.37 0.11 -1.96 -0.36 132.00 133.07 2jkc h PRO 53 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2jkc h PRO 53 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2jkc h PRO 53 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 2jkc n SER 54 N -3.73 0.21 -0.14 -2.05 3.41 -1.26 -2.67 113.62 107.40 2jkc n SER 54 Ca -0.02 0.56 -0.03 0.00 -0.26 0.00 0.00 58.87 59.12 2jkc n SER 54 Cb 0.14 -0.60 0.04 0.00 -0.26 0.00 0.00 64.21 63.53 2jkc n SER 54 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jkc h LEU 55 N 0.00 -0.10 -0.20 1.04 5.85 -1.48 -0.20 115.31 120.22 2jkc h LEU 55 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2jkc h LEU 55 Cb 0.23 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2jkc h LEU 55 CO 0.00 -0.02 0.04 -0.61 -0.34 0.00 0.00 178.44 177.51 2jkc h GLN 56 N 0.16 0.32 0.04 1.25 5.75 -1.74 -2.39 115.11 118.50 2jkc h GLN 56 Ca 0.22 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 2jkc h GLN 56 Cb 0.31 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.82 2jkc h GLN 56 CO -0.33 0.47 -0.02 0.87 -2.65 0.00 0.00 178.83 177.16 2jkc h LYS 57 N 0.13 -0.06 0.05 1.69 1.79 -1.59 0.64 116.57 119.22 2jkc h LYS 57 Ca 0.06 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.26 2jkc h LYS 57 Cb 0.30 0.01 0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2jkc h LYS 57 CO 0.00 0.54 -1.11 0.28 -1.08 0.00 0.00 179.45 178.08 2jkc h VAL 58 N -0.72 1.31 0.00 0.50 2.07 -1.18 -3.37 116.25 114.86 2jkc h VAL 58 Ca -0.01 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2jkc h VAL 58 Cb 0.62 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2jkc h VAL 58 CO 0.01 0.73 -0.20 0.33 0.02 0.00 0.00 177.57 178.46 2jkc n PHE 59 N -3.80 0.07 -0.13 1.57 7.35 -0.94 -4.29 117.46 117.30 2jkc n PHE 59 Ca -0.11 0.03 -0.13 0.00 -0.76 0.00 0.00 57.45 56.48 2jkc n PHE 59 Cb 0.92 -0.20 -0.02 0.00 0.35 0.00 0.00 39.48 40.53 2jkc n PHE 59 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2jkc h PHE 60 N -0.24 1.10 -0.81 -5.13 0.04 -1.43 -2.62 116.94 107.86 2jkc h PHE 60 Ca 0.00 -0.31 0.04 0.00 2.80 0.00 0.00 57.97 60.50 2jkc h PHE 60 Cb 0.20 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 2jkc h PHE 60 CO -0.08 1.13 0.51 -0.44 -0.60 0.00 0.00 178.31 178.83 2jkc h ASP 61 N 0.76 0.84 -0.69 2.17 3.32 -1.02 -0.25 116.42 121.54 2jkc h ASP 61 Ca 0.08 -0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.24 2jkc h ASP 61 Cb 0.90 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.19 2jkc h ASP 61 CO 0.08 0.57 0.30 0.15 -1.72 0.00 0.00 179.24 178.63 2jkc h PHE 62 N 0.99 0.53 0.00 4.55 3.57 -1.65 0.84 116.94 125.77 2jkc h PHE 62 Ca 0.33 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.86 2jkc h PHE 62 Cb 0.04 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2jkc h PHE 62 CO -0.03 0.14 0.00 1.28 -2.23 0.00 0.00 178.31 177.47 2jkc n LEU 63 N -4.94 0.25 -0.21 0.59 4.77 -0.78 -4.92 117.00 111.76 2jkc n LEU 63 Ca 0.11 0.54 -0.00 0.00 -0.03 0.00 0.00 56.01 56.63 2jkc n LEU 63 Cb 0.32 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2jkc n LEU 63 CO 0.22 -0.16 -0.00 0.61 -1.33 0.00 0.00 177.39 176.72 2jkc n GLY 64 N 0.93 0.56 3.12 -0.72 0.00 0.29 -5.04 105.19 104.33 2jkc n GLY 64 Ca 0.05 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2jkc n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkc s ILE 65 N -2.36 2.61 0.67 -0.61 1.01 -0.45 -5.01 121.20 117.05 2jkc s ILE 65 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 60.65 58.98 2jkc s ILE 65 Cb -0.00 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 2jkc s ILE 65 CO 0.00 -0.12 1.05 -2.16 0.00 0.00 0.00 174.94 173.72 2jkc s PRO 66 N 1.17 3.18 0.28 2.79 0.04 -1.26 -4.15 135.00 137.05 2jkc s PRO 66 Ca -0.06 0.81 0.01 0.00 0.04 0.00 0.00 61.00 61.81 2jkc s PRO 66 Cb -0.20 -2.03 0.68 0.00 0.04 0.00 0.00 34.50 33.00 2jkc s PRO 66 CO -0.03 -0.89 1.65 0.93 0.04 0.00 0.00 177.00 178.70 2jkc h GLU 67 N -0.56 0.22 0.00 4.56 5.08 -1.98 0.11 114.58 122.02 2jkc h GLU 67 Ca -0.44 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2jkc h GLU 67 Cb 1.21 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2jkc h GLU 67 CO 0.60 0.15 -0.04 0.07 -1.00 0.00 0.00 179.01 178.79 2jkc h ARG 68 N 0.23 0.00 0.00 2.33 0.11 -2.00 0.62 114.38 115.67 2jkc h ARG 68 Ca 0.54 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.50 2jkc h ARG 68 Cb 1.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 2jkc h ARG 68 CO -0.63 0.04 -0.72 1.49 0.10 0.00 0.00 179.97 180.25 2jkc h GLU 69 N 0.00 0.00 0.02 0.08 4.81 -1.34 -3.42 114.58 114.73 2jkc h GLU 69 Ca -0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 2jkc h GLU 69 Cb 0.28 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.67 2jkc h GLU 69 CO 0.00 0.80 -0.86 0.11 -0.73 0.00 0.00 179.01 178.33 2jkc h TRP 70 N -1.00 0.83 -0.49 0.92 5.08 -1.33 -3.39 115.95 116.57 2jkc h TRP 70 Ca -0.18 -0.47 0.09 0.00 1.08 0.00 0.00 58.89 59.41 2jkc h TRP 70 Cb 1.02 -0.09 -0.10 0.00 -3.00 0.00 0.00 29.16 26.99 2jkc h TRP 70 CO 0.10 1.30 -0.32 0.52 -1.28 0.00 0.00 178.44 178.76 2jkc h MET 71 N 0.13 -0.19 0.00 0.12 2.86 -1.12 -1.21 114.93 115.52 2jkc h MET 71 Ca -0.11 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2jkc h MET 71 Cb 1.55 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.25 2jkc h MET 71 CO 0.17 -0.13 -0.00 -1.35 1.06 0.00 0.00 176.91 176.66 2jkc h PRO 72 N -0.20 0.00 -0.00 -0.22 0.11 -1.79 -1.51 132.00 128.39 2jkc h PRO 72 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2jkc h PRO 72 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 2jkc h PRO 72 CO -0.60 0.00 -0.36 1.04 -0.21 0.00 0.00 178.00 177.87 2jkc n GLN 73 N -3.57 0.25 -0.08 1.05 6.02 -0.46 -4.07 117.38 116.52 2jkc n GLN 73 Ca -0.03 -0.13 0.04 0.00 -0.01 0.00 0.00 57.00 56.87 2jkc n GLN 73 Cb 0.08 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.90 2jkc n GLN 73 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2jkc n VAL 74 N -1.26 1.19 -3.88 5.09 0.24 -0.91 -4.82 118.33 113.98 2jkc n VAL 74 Ca 0.08 -1.35 -0.28 0.00 -2.04 0.00 0.00 64.34 60.75 2jkc n VAL 74 Cb 0.33 0.23 0.02 0.00 -1.47 0.00 0.00 33.84 32.96 2jkc n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jkc n ASN 75 N -0.80 -3.58 -4.70 -1.34 5.15 -1.17 -1.58 115.26 107.24 2jkc n ASN 75 Ca 0.07 -0.81 -0.43 0.00 -0.60 0.00 0.00 54.58 52.80 2jkc n ASN 75 Cb 0.48 -3.84 -0.02 0.00 -0.53 0.00 0.00 39.78 35.88 2jkc n ASN 75 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jkc n GLY 76 N -1.67 0.80 3.37 8.20 0.00 -0.62 -4.50 105.19 110.78 2jkc n GLY 76 Ca -0.06 0.41 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 2jkc n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkc s ALA 77 N -0.52 2.18 -0.05 4.61 0.00 0.18 -4.81 121.76 123.34 2jkc s ALA 77 Ca 0.62 -1.70 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 2jkc s ALA 77 Cb -0.58 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2jkc s ALA 77 CO 0.55 -0.50 0.12 -0.06 0.00 0.00 0.00 175.76 175.87 2jkc s PHE 78 N -3.47 3.44 -0.14 0.00 0.08 -1.26 -0.67 117.98 115.96 2jkc s PHE 78 Ca 0.34 0.35 -0.00 0.00 0.12 0.00 0.00 56.93 57.73 2jkc s PHE 78 Cb 0.04 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 2jkc s PHE 78 CO 0.19 0.63 -0.10 0.21 -0.10 0.00 0.00 175.22 176.04 2jkc s LYS 79 N -1.48 1.85 -0.01 0.44 2.20 -0.50 -3.73 119.74 118.51 2jkc s LYS 79 Ca 0.21 -0.42 0.18 0.00 -0.36 0.00 0.00 55.97 55.57 2jkc s LYS 79 Cb -0.12 -1.86 -0.22 0.00 -1.51 0.00 0.00 37.83 34.12 2jkc s LYS 79 CO 0.11 -0.28 0.66 0.00 -0.36 0.00 0.00 175.35 175.49 2jkc n ALA 80 N 4.86 3.89 -3.79 3.13 0.00 0.84 0.47 120.51 129.91 2jkc n ALA 80 Ca -0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.80 2jkc n ALA 80 Cb 0.50 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2jkc n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jkc s ALA 81 N -2.85 -1.94 -0.16 0.00 0.00 -1.26 -3.14 121.76 112.41 2jkc s ALA 81 Ca 0.03 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 2jkc s ALA 81 Cb 0.13 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 2jkc s ALA 81 CO 0.74 -1.07 -0.04 0.42 0.00 0.00 0.00 175.76 175.81 2jkc s ILE 82 N -2.51 3.81 -0.27 0.00 1.01 -0.31 -2.50 121.20 120.44 2jkc s ILE 82 Ca 0.18 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 2jkc s ILE 82 Cb 0.00 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 2jkc s ILE 82 CO 0.01 0.48 0.21 -0.75 0.00 0.00 0.00 174.94 174.89 2jkc s LYS 83 N 0.49 3.99 -0.25 2.79 2.20 0.48 0.39 119.74 129.84 2jkc s LYS 83 Ca -0.04 -0.25 -0.16 0.00 -0.36 0.00 0.00 55.97 55.17 2jkc s LYS 83 Cb -0.14 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 2jkc s LYS 83 CO 0.03 -0.14 0.40 -0.06 -0.36 0.00 0.00 175.35 175.23 2jkc s PHE 84 N 1.63 3.29 -0.12 4.03 0.08 0.31 -0.08 117.98 127.11 2jkc s PHE 84 Ca 0.08 0.51 0.01 0.00 0.12 0.00 0.00 56.93 57.65 2jkc s PHE 84 Cb -0.15 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.71 2jkc s PHE 84 CO 0.09 -0.17 -0.17 0.08 -0.10 0.00 0.00 175.22 174.96 2jkc s VAL 85 N 1.88 2.71 -1.39 -0.44 1.01 -0.05 -2.00 120.40 122.12 2jkc s VAL 85 Ca 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2jkc s VAL 85 Cb -0.15 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2jkc s VAL 85 CO 0.09 0.53 0.00 0.59 0.00 0.00 0.00 175.10 176.32 2jkc n ASN 86 N 3.57 -4.65 0.02 3.32 3.02 -0.52 -0.96 115.26 119.06 2jkc n ASN 86 Ca -0.18 0.10 -0.06 0.00 -0.03 0.00 0.00 54.58 54.41 2jkc n ASN 86 Cb 0.53 -3.70 -0.12 0.00 -0.61 0.00 0.00 39.78 35.88 2jkc n ASN 86 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2jkc h TRP 87 N 0.00 0.00 0.09 3.10 4.06 -1.83 -3.42 115.95 117.96 2jkc h TRP 87 Ca -0.35 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.47 2jkc h TRP 87 Cb 1.18 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.36 2jkc h TRP 87 CO 0.41 0.91 -0.59 -0.09 -3.56 0.00 0.00 178.44 175.52 2jkc h ARG 88 N 0.00 0.23 -4.97 0.49 2.43 -1.89 -3.41 114.38 107.26 2jkc h ARG 88 Ca -0.17 -0.38 -0.37 0.00 -0.81 0.00 0.00 59.98 58.26 2jkc h ARG 88 Cb 1.84 0.14 -0.14 0.00 -0.42 0.00 0.00 29.97 31.38 2jkc h ARG 88 CO 0.09 1.16 -0.62 0.15 -1.51 0.00 0.00 179.97 179.24 2jkc s LYS 89 N -2.47 1.42 -0.00 0.20 1.02 -1.26 -2.61 119.74 116.03 2jkc s LYS 89 Ca -0.15 -1.76 -0.33 0.00 0.02 0.00 0.00 55.97 53.75 2jkc s LYS 89 Cb 0.00 -0.42 -0.11 0.00 -0.52 0.00 0.00 37.83 36.78 2jkc s LYS 89 CO 0.79 -0.24 1.85 0.43 -0.92 0.00 0.00 175.35 177.27 2jkc n SER 90 N -0.48 3.62 -4.77 2.83 7.64 -1.26 -4.76 113.62 116.45 2jkc n SER 90 Ca -0.02 0.98 -0.41 0.00 1.01 0.00 0.00 58.87 60.43 2jkc n SER 90 Cb 0.66 -1.43 0.01 0.00 -1.01 0.00 0.00 64.21 62.43 2jkc n SER 90 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2jkc n PRO 91 N 6.25 2.45 -3.60 1.43 -0.02 -1.26 -5.01 135.00 135.24 2jkc n PRO 91 Ca 0.21 0.87 -0.20 0.00 -2.02 0.00 0.00 63.50 62.36 2jkc n PRO 91 Cb 0.33 -2.64 -0.15 0.00 -0.02 0.00 0.00 33.50 31.02 2jkc n PRO 91 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jkc s ASP 92 N -0.30 1.35 0.00 2.55 -1.08 -1.26 -5.02 116.67 112.90 2jkc s ASP 92 Ca 0.57 -0.08 0.07 0.00 -0.52 0.00 0.00 52.55 52.59 2jkc s ASP 92 Cb -0.47 0.16 0.35 0.00 -1.46 0.00 0.00 42.92 41.51 2jkc s ASP 92 CO 0.61 -0.30 0.98 -0.81 0.52 0.00 0.00 175.17 176.17 2jkc n PRO 93 N 5.31 0.14 0.00 4.34 -0.04 -1.26 -1.08 135.00 142.41 2jkc n PRO 93 Ca -0.05 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 2jkc n PRO 93 Cb 0.50 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.80 2jkc n PRO 93 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jkc n SER 94 N -1.18 1.31 -4.33 3.54 3.41 -1.26 -4.93 113.62 110.19 2jkc n SER 94 Ca 0.04 -1.12 -0.29 0.00 -0.26 0.00 0.00 58.87 57.24 2jkc n SER 94 Cb 0.04 0.15 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 2jkc n SER 94 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jkc s ARG 95 N -2.39 1.62 -0.52 4.33 1.81 -0.24 -5.10 118.95 118.47 2jkc s ARG 95 Ca 0.26 -1.12 -0.15 0.00 -1.72 0.00 0.00 55.73 53.00 2jkc s ARG 95 Cb 0.19 -1.85 0.12 0.00 -0.45 0.00 0.00 34.95 32.97 2jkc s ARG 95 CO 0.49 0.47 0.46 0.34 -0.68 0.00 0.00 175.30 176.38 2jkc s ASP 96 N -1.40 6.11 -0.64 0.23 2.15 -1.26 -4.79 116.67 117.07 2jkc s ASP 96 Ca 0.11 -1.75 -0.11 0.00 0.43 0.00 0.00 52.55 51.23 2jkc s ASP 96 Cb -0.10 -2.18 0.17 0.00 -0.30 0.00 0.00 42.92 40.51 2jkc s ASP 96 CO 0.03 -0.81 0.54 -0.62 -0.17 0.00 0.00 175.17 174.14 2jkc s ASP 97 N 3.35 6.06 -0.01 -0.34 2.15 -1.26 -5.05 116.67 121.57 2jkc s ASP 97 Ca 0.03 -2.37 -0.06 0.00 0.43 0.00 0.00 52.55 50.59 2jkc s ASP 97 Cb -0.29 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2jkc s ASP 97 CO 0.03 -0.61 0.12 -1.38 -0.17 0.00 0.00 175.17 173.16 2jkc s HIS 98 N 0.67 0.03 0.04 -5.34 -3.43 -1.26 -1.44 115.29 104.56 2jkc s HIS 98 Ca 0.12 -0.09 -0.11 0.00 -0.80 0.00 0.00 55.06 54.19 2jkc s HIS 98 Cb -0.20 -0.05 0.01 0.00 -1.43 0.00 0.00 32.58 30.91 2jkc s HIS 98 CO -0.04 -0.23 0.23 -0.59 -2.00 0.00 0.00 174.74 172.11 2jkc s PHE 99 N -1.11 0.00 -0.11 0.38 -0.12 -0.85 -4.99 117.98 111.19 2jkc s PHE 99 Ca -0.12 -0.19 -0.05 0.00 -0.05 0.00 0.00 56.93 56.52 2jkc s PHE 99 Cb -0.07 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 2jkc s PHE 99 CO 0.01 -0.44 0.09 0.71 -0.05 0.00 0.00 175.22 175.54 2jkc s TYR 100 N -2.49 3.45 -0.37 3.49 2.02 -1.26 -0.53 117.35 121.65 2jkc s TYR 100 Ca -0.06 0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.96 2jkc s TYR 100 Cb -0.01 -1.89 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2jkc s TYR 100 CO -0.03 0.65 0.20 -1.58 -1.57 0.00 0.00 175.55 173.21 2jkc s HIS 101 N -0.99 3.26 0.06 2.71 5.65 0.16 -4.81 115.29 121.34 2jkc s HIS 101 Ca 0.15 -1.12 0.01 0.00 0.25 0.00 0.00 55.06 54.34 2jkc s HIS 101 Cb -0.12 -2.47 -0.04 0.00 -1.18 0.00 0.00 32.58 28.77 2jkc s HIS 101 CO 0.04 -0.69 0.17 -0.51 -0.65 0.00 0.00 174.74 173.09 2jkc s LEU 102 N 1.51 4.18 0.70 8.88 1.02 -1.26 -1.16 118.68 132.55 2jkc s LEU 102 Ca 0.01 0.18 -0.11 0.00 0.02 0.00 0.00 54.13 54.23 2jkc s LEU 102 Cb -0.20 -2.79 0.02 0.00 0.02 0.00 0.00 46.19 43.24 2jkc s LEU 102 CO 0.05 0.17 1.07 -0.36 0.02 0.00 0.00 176.35 177.31 2jkc s PHE 103 N -1.46 2.97 0.00 0.29 0.08 -1.19 -4.91 117.98 113.76 2jkc s PHE 103 Ca 0.33 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.84 2jkc s PHE 103 Cb -0.13 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2jkc s PHE 103 CO 0.26 -1.36 0.00 0.41 -0.10 0.00 0.00 175.22 174.42 2jkc n GLY 104 N -1.70 -1.01 3.42 4.36 0.00 -1.26 -4.77 105.19 104.22 2jkc n GLY 104 Ca 0.08 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2jkc n GLY 104 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jkc s ASN 105 N -2.43 3.54 0.07 1.61 0.01 -1.26 -4.95 114.94 111.52 2jkc s ASN 105 Ca 0.00 -0.56 -0.30 0.00 -0.71 0.00 0.00 52.86 51.28 2jkc s ASN 105 Cb 0.00 -0.43 -0.05 0.00 0.41 0.00 0.00 41.25 41.18 2jkc s ASN 105 CO 0.00 0.23 1.04 -0.69 -1.51 0.00 0.00 177.10 176.17 2jkc s VAL 106 N -0.96 4.46 0.77 1.60 1.01 -1.26 -4.94 120.40 121.08 2jkc s VAL 106 Ca 0.14 1.87 -0.14 0.00 0.00 0.00 0.00 61.98 63.85 2jkc s VAL 106 Cb -0.10 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.14 2jkc s VAL 106 CO 0.05 0.20 1.22 -2.84 0.00 0.00 0.00 175.10 173.74 2jkc s PRO 107 N 0.58 1.85 0.10 2.72 0.02 -1.26 -4.81 135.00 134.19 2jkc s PRO 107 Ca 0.52 1.82 0.03 0.00 0.02 0.00 0.00 61.00 63.39 2jkc s PRO 107 Cb -0.25 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 2jkc s PRO 107 CO 0.30 -2.07 0.14 -0.80 -0.33 0.00 0.00 177.00 174.23 2jkc s ASN 108 N -2.00 5.76 -0.25 2.53 0.01 -1.26 -1.92 114.94 117.81 2jkc s ASN 108 Ca 0.75 0.03 -0.01 0.00 -0.71 0.00 0.00 52.86 52.92 2jkc s ASN 108 Cb -0.30 -1.61 0.07 0.00 0.41 0.00 0.00 41.25 39.82 2jkc s ASN 108 CO 0.48 0.13 0.04 0.00 -1.51 0.00 0.00 177.10 176.24 2jkc n ASP 110 N 4.88 -2.39 0.00 0.00 8.00 -1.26 -2.57 116.55 123.21 2jkc n ASP 110 Ca -0.07 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.72 2jkc n ASP 110 Cb 0.45 -4.53 0.00 0.00 -0.02 0.00 0.00 41.12 37.02 2jkc n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jkc n GLY 111 N -1.47 0.57 3.16 0.44 0.00 -1.26 -5.03 105.19 101.59 2jkc n GLY 111 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 2jkc n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkc s VAL 112 N -2.41 1.62 0.52 1.61 1.01 -1.06 -5.11 120.40 116.58 2jkc s VAL 112 Ca 0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 2jkc s VAL 112 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 2jkc s VAL 112 CO 0.00 0.46 1.27 -2.84 0.00 0.00 0.00 175.10 173.99 2jkc s PRO 113 N 0.09 3.34 0.54 2.72 0.02 -1.26 0.08 135.00 140.52 2jkc s PRO 113 Ca -0.07 2.02 0.23 0.00 0.02 0.00 0.00 61.00 63.20 2jkc s PRO 113 Cb -0.13 -2.27 1.40 0.00 0.02 0.00 0.00 34.50 33.52 2jkc s PRO 113 CO 0.03 -0.97 2.06 -0.07 -0.33 0.00 0.00 177.00 177.73 2jkc h LEU 114 N 1.59 0.00 -1.81 -5.54 3.38 -1.70 -0.89 115.31 110.35 2jkc h LEU 114 Ca -0.50 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.71 2jkc h LEU 114 Cb 1.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2jkc h LEU 114 CO 0.58 0.00 0.63 0.71 0.09 0.00 0.00 178.44 180.45 2jkc h THR 115 N 0.00 0.59 0.08 0.22 1.35 -1.91 0.18 112.91 113.42 2jkc h THR 115 Ca 0.14 -0.05 -0.29 0.00 -0.55 0.00 0.00 66.41 65.66 2jkc h THR 115 Cb 0.59 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 2jkc h THR 115 CO -0.00 0.03 -1.51 0.45 -0.25 0.00 0.00 175.52 174.23 2jkc h HIS 116 N 0.15 0.31 -0.13 4.73 3.86 -1.52 -2.01 115.15 120.54 2jkc h HIS 116 Ca 0.45 -0.23 -0.14 0.00 -1.16 0.00 0.00 60.37 59.30 2jkc h HIS 116 Cb 1.53 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.97 2jkc h HIS 116 CO -0.00 1.28 -0.51 1.88 0.86 0.00 0.00 177.93 181.44 2jkc h TYR 117 N 0.05 0.43 -0.44 2.45 0.05 -1.44 -2.76 116.97 115.31 2jkc h TYR 117 Ca -0.23 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.38 2jkc h TYR 117 Cb 1.98 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 39.62 2jkc h TYR 117 CO 0.04 0.79 0.17 2.35 -1.05 0.00 0.00 178.16 180.46 2jkc h TRP 118 N 0.28 0.68 -0.61 4.88 7.01 -0.63 -2.87 115.95 124.70 2jkc h TRP 118 Ca 0.01 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 2jkc h TRP 118 Cb 0.99 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 2jkc h TRP 118 CO 0.03 0.59 0.30 1.25 -2.79 0.00 0.00 178.44 177.81 2jkc h LEU 119 N 0.57 0.79 -1.15 0.65 5.85 -1.29 -0.58 115.31 120.15 2jkc h LEU 119 Ca 0.15 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2jkc h LEU 119 Cb 0.21 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2jkc h LEU 119 CO -0.01 0.70 0.59 -0.09 -0.34 0.00 0.00 178.44 179.28 2jkc h ARG 120 N 0.83 1.00 -0.43 1.25 2.43 -1.49 -0.59 114.38 117.38 2jkc h ARG 120 Ca 0.21 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2jkc h ARG 120 Cb 0.11 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2jkc h ARG 120 CO -0.03 0.66 -0.07 0.87 -1.51 0.00 0.00 179.97 179.90 2jkc h LYS 121 N 1.04 0.81 -0.90 0.20 1.57 -1.13 -3.09 116.57 115.06 2jkc h LYS 121 Ca 0.38 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2jkc h LYS 121 Cb 0.18 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 2jkc h LYS 121 CO -0.14 0.91 0.60 -0.09 -0.57 0.00 0.00 179.45 180.16 2jkc h ARG 122 N 0.64 1.17 -0.73 3.15 9.65 -0.53 -1.53 114.38 126.20 2jkc h ARG 122 Ca 0.11 -0.07 0.10 0.00 -1.10 0.00 0.00 59.98 59.02 2jkc h ARG 122 Cb 0.60 -0.26 -0.05 0.00 -1.39 0.00 0.00 29.97 28.86 2jkc h ARG 122 CO 0.04 0.77 0.48 0.93 2.80 0.00 0.00 179.97 184.99 2jkc h GLU 123 N 1.20 0.60 -0.21 0.20 5.08 -1.05 -0.98 114.58 119.43 2jkc h GLU 123 Ca 0.34 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2jkc h GLU 123 Cb -0.10 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2jkc h GLU 123 CO -0.08 0.40 0.00 1.04 -1.00 0.00 0.00 179.01 179.36 2jkc n GLN 124 N -4.49 1.59 0.00 2.33 6.02 -0.63 -4.90 117.38 117.30 2jkc n GLN 124 Ca 0.12 -0.91 0.00 0.00 -0.01 0.00 0.00 57.00 56.20 2jkc n GLN 124 Cb 0.34 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.32 2jkc n GLN 124 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jkc n GLY 125 N 0.98 0.60 3.71 1.08 0.00 -0.37 -5.08 105.19 106.11 2jkc n GLY 125 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2jkc n GLY 125 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jkc n PHE 126 N -1.33 2.68 -0.09 1.61 7.35 -0.90 -4.93 117.46 121.85 2jkc n PHE 126 Ca 0.00 0.06 -0.08 0.00 -0.76 0.00 0.00 57.45 56.67 2jkc n PHE 126 Cb 0.00 -2.66 -0.16 0.00 0.35 0.00 0.00 39.48 37.01 2jkc n PHE 126 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2jkc n GLN 127 N 3.98 0.68 -1.66 -4.13 1.13 -1.26 -4.37 117.38 111.75 2jkc n GLN 127 Ca 0.16 -0.01 -0.45 0.00 -1.94 0.00 0.00 57.00 54.76 2jkc n GLN 127 Cb 0.34 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 29.13 2jkc n GLN 127 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2jkc n GLN 128 N -2.73 1.99 -1.70 -1.09 7.27 -1.26 -4.95 117.38 114.91 2jkc n GLN 128 Ca -0.30 0.71 -0.39 0.00 0.07 0.00 0.00 57.00 57.09 2jkc n GLN 128 Cb 1.11 -2.38 0.04 0.00 2.41 0.00 0.00 30.24 31.42 2jkc n GLN 128 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 2jkc n PRO 129 N 2.26 1.49 -0.14 3.69 -0.02 -1.26 -4.84 135.00 136.18 2jkc n PRO 129 Ca 0.13 0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 62.10 2jkc n PRO 129 Cb 0.30 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2jkc n PRO 129 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2jkc h MET 130 N 1.28 -0.17 0.00 -0.52 4.05 -1.94 -1.54 114.93 116.09 2jkc h MET 130 Ca -0.49 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 58.86 2jkc h MET 130 Cb 1.32 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.15 2jkc h MET 130 CO 0.56 -0.11 -0.39 1.05 0.23 0.00 0.00 176.91 178.24 2jkc h GLU 131 N -0.18 0.00 0.00 0.39 9.09 -1.92 -0.85 114.58 121.11 2jkc h GLU 131 Ca 0.20 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.55 2jkc h GLU 131 Cb 0.50 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 2jkc h GLU 131 CO -0.55 0.39 -0.29 1.88 0.05 0.00 0.00 179.01 180.50 2jkc h TYR 132 N 0.00 0.00 0.16 2.06 0.05 -1.68 -2.67 116.97 114.89 2jkc h TYR 132 Ca -0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.53 2jkc h TYR 132 Cb 0.85 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.61 2jkc h TYR 132 CO 0.00 0.29 -1.06 0.00 -1.05 0.00 0.00 178.16 176.34 2jkc h ALA 133 N 1.71 -0.09 -0.00 3.88 0.00 -0.32 -3.41 119.26 121.03 2jkc h ALA 133 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2jkc h ALA 133 Cb 0.92 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jkc h ALA 133 CO 0.04 0.51 -0.70 0.00 0.00 0.00 0.00 179.25 179.10 2jkc s TYR 135 N -2.87 0.51 -1.19 0.00 2.02 -1.01 -4.69 117.35 110.12 2jkc s TYR 135 Ca 0.12 -0.21 0.28 0.00 -0.37 0.00 0.00 57.07 56.89 2jkc s TYR 135 Cb 0.17 -0.32 0.98 0.00 -0.40 0.00 0.00 41.96 42.39 2jkc s TYR 135 CO 0.74 -0.03 1.73 -0.35 -1.57 0.00 0.00 175.55 176.07 2jkc n PRO 136 N 2.52 0.20 -0.01 -1.71 -0.04 -1.26 -4.43 135.00 130.27 2jkc n PRO 136 Ca -0.16 -0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.33 2jkc n PRO 136 Cb 0.57 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 2jkc n PRO 136 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jkc n GLN 137 N -1.34 0.56 -0.16 0.54 0.00 -1.26 -3.95 117.38 111.78 2jkc n GLN 137 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 57.00 56.93 2jkc n GLN 137 Cb 0.32 -1.48 0.07 0.00 0.00 0.00 0.00 30.24 29.15 2jkc n GLN 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2jkc h PRO 138 N 0.00 0.15 -0.91 2.61 0.11 -1.86 0.84 132.00 132.94 2jkc h PRO 138 Ca 0.00 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.27 2jkc h PRO 138 Cb 0.81 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.81 2jkc h PRO 138 CO 0.00 0.10 0.59 0.78 -0.21 0.00 0.00 178.00 179.26 2jkc h GLY 139 N 0.16 1.18 1.59 -0.55 0.00 -1.92 -0.75 103.07 102.77 2jkc h GLY 139 Ca 0.26 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2jkc h GLY 139 CO -0.40 0.03 -0.09 0.00 0.00 0.00 0.00 176.54 176.09 2jkc h ALA 140 N 1.61 1.29 -0.16 3.60 0.00 -1.15 -1.35 119.26 123.09 2jkc h ALA 140 Ca 0.48 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 2jkc h ALA 140 Cb 0.91 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2jkc h ALA 140 CO -0.22 0.47 -0.54 -0.07 0.00 0.00 0.00 179.25 178.89 2jkc h LEU 141 N 0.47 0.76 -0.85 0.00 3.38 -0.42 -1.57 115.31 117.08 2jkc h LEU 141 Ca 0.09 -0.60 0.19 0.00 0.09 0.00 0.00 57.88 57.65 2jkc h LEU 141 Cb 0.44 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 2jkc h LEU 141 CO 0.02 1.23 0.35 0.44 0.09 0.00 0.00 178.44 180.57 2jkc h ASP 142 N 0.34 0.29 0.00 -0.43 3.32 -0.95 -1.38 116.42 117.61 2jkc h ASP 142 Ca -0.02 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2jkc h ASP 142 Cb 1.17 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2jkc h ASP 142 CO 0.12 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 2jkc n GLY 143 N -1.34 -0.97 3.55 2.75 0.00 -0.53 -4.91 105.19 103.74 2jkc n GLY 143 Ca 0.19 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2jkc n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jkc n LYS 144 N -0.64 -5.60 -3.15 1.61 5.02 -0.52 -4.90 118.16 109.97 2jkc n LYS 144 Ca 0.07 0.70 -0.32 0.00 -2.02 0.00 0.00 58.31 56.74 2jkc n LYS 144 Cb 0.03 -5.60 -0.05 0.00 -0.02 0.00 0.00 35.03 29.39 2jkc n LYS 144 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jkc s LEU 145 N -7.03 4.03 0.82 -0.35 1.43 -0.63 -0.56 118.68 116.40 2jkc s LEU 145 Ca 0.52 1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 54.63 2jkc s LEU 145 Cb -0.25 -3.93 0.09 0.00 0.03 0.00 0.00 46.19 42.13 2jkc s LEU 145 CO 0.65 -0.22 1.13 0.00 0.23 0.00 0.00 176.35 178.13 2jkc s ALA 146 N -2.04 1.94 -2.22 4.21 0.00 -0.13 -4.33 121.76 119.19 2jkc s ALA 146 Ca 0.51 0.47 0.30 0.00 0.00 0.00 0.00 51.96 53.24 2jkc s ALA 146 Cb -0.10 -3.37 1.50 0.00 0.00 0.00 0.00 23.12 21.15 2jkc s ALA 146 CO 0.22 -2.16 2.00 -0.35 0.00 0.00 0.00 175.76 175.48 2jkc n PRO 147 N -3.68 1.29 -4.28 0.00 -0.04 -1.26 -4.84 135.00 122.19 2jkc n PRO 147 Ca 0.11 -0.44 -0.16 0.00 -0.04 0.00 0.00 63.50 62.96 2jkc n PRO 147 Cb 0.52 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 2jkc n PRO 147 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jkc s LEU 149 N -3.09 2.49 0.44 0.00 1.43 -0.15 -4.28 118.68 115.52 2jkc s LEU 149 Ca 0.17 1.65 0.14 0.00 -1.03 0.00 0.00 54.13 55.06 2jkc s LEU 149 Cb -0.00 -4.13 1.04 0.00 0.03 0.00 0.00 46.19 43.13 2jkc s LEU 149 CO 0.03 -2.55 1.99 0.28 0.23 0.00 0.00 176.35 176.33 2jkc h SER 150 N -1.49 0.35 -0.01 2.29 0.02 -1.90 -1.25 113.55 111.57 2jkc h SER 150 Ca -0.48 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2jkc h SER 150 Cb 1.27 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2jkc h SER 150 CO 0.52 0.21 0.00 -0.90 -1.14 0.00 0.00 176.83 175.53 2jkc n ASP 151 N -4.47 0.07 0.00 3.07 5.75 -1.26 -4.89 116.55 114.82 2jkc n ASP 151 Ca 0.09 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 2jkc n ASP 151 Cb 0.36 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 2jkc n ASP 151 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jkc n GLY 152 N 0.66 1.66 3.65 6.12 0.00 -0.47 -5.05 105.19 111.76 2jkc n GLY 152 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2jkc n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jkc s THR 153 N -2.41 3.21 0.27 2.61 2.01 -1.25 -4.72 115.64 115.35 2jkc s THR 153 Ca 0.00 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 2jkc s THR 153 Cb 0.00 -3.18 -0.10 0.00 0.01 0.00 0.00 72.50 69.23 2jkc s THR 153 CO 0.00 -0.04 1.29 -0.60 -0.69 0.00 0.00 174.62 174.58 2jkc s ARG 154 N 4.59 4.40 0.00 4.92 3.52 -1.26 -0.97 118.95 134.15 2jkc s ARG 154 Ca 0.85 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 58.55 2jkc s ARG 154 Cb -0.38 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 2jkc s ARG 154 CO 0.37 -0.17 0.05 1.04 -0.81 0.00 0.00 175.30 175.78 2jkc n GLN 155 N 1.68 5.31 -3.61 5.12 1.13 0.54 -4.91 117.38 122.65 2jkc n GLN 155 Ca 0.03 -0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 54.92 2jkc n GLN 155 Cb 0.42 -0.50 -0.05 0.00 0.11 0.00 0.00 30.24 30.23 2jkc n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jkc s MET 156 N -0.77 1.07 0.33 -1.09 0.23 -1.18 -5.03 119.30 112.85 2jkc s MET 156 Ca 0.00 -0.62 -0.29 0.00 -1.03 0.00 0.00 55.69 53.75 2jkc s MET 156 Cb 0.00 0.47 -0.10 0.00 -1.53 0.00 0.00 34.83 33.67 2jkc s MET 156 CO 0.00 -0.42 1.26 -1.12 -2.03 0.00 0.00 175.02 172.71 2jkc s SER 157 N -2.67 6.84 0.16 -1.18 0.01 -1.26 -4.94 113.70 110.66 2jkc s SER 157 Ca 0.01 2.58 -0.17 0.00 1.31 0.00 0.00 55.95 59.69 2jkc s SER 157 Cb 0.01 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.63 2jkc s SER 157 CO -0.11 -0.47 0.45 -1.38 0.41 0.00 0.00 173.24 172.15 2jkc s HIS 158 N -1.16 -0.17 0.00 2.43 -3.43 -1.26 -4.72 115.29 106.97 2jkc s HIS 158 Ca 0.49 -0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.59 2jkc s HIS 158 Cb -0.38 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.09 2jkc s HIS 158 CO 0.50 -0.79 0.00 0.00 -2.00 0.00 0.00 174.74 172.44 2jkc n ALA 159 N -0.28 0.00 -2.65 -1.38 0.00 0.18 -4.47 120.51 111.91 2jkc n ALA 159 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 2jkc n ALA 159 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.97 2jkc n ALA 159 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2jkc s TRP 160 N 1.98 0.81 0.09 0.00 0.51 -1.26 -1.41 118.94 119.67 2jkc s TRP 160 Ca 0.00 -0.61 0.05 0.00 -2.12 0.00 0.00 56.10 53.42 2jkc s TRP 160 Cb 0.00 -0.47 -0.04 0.00 -0.81 0.00 0.00 33.47 32.15 2jkc s TRP 160 CO 0.00 -0.08 -0.03 -1.01 -0.51 0.00 0.00 176.95 175.33 2jkc s HIS 161 N -2.01 2.93 0.20 -1.98 3.76 0.15 -1.73 115.29 116.61 2jkc s HIS 161 Ca -0.03 -0.06 -0.23 0.00 -0.15 0.00 0.00 55.06 54.60 2jkc s HIS 161 Cb -0.06 -1.51 0.05 0.00 1.11 0.00 0.00 32.58 32.17 2jkc s HIS 161 CO -0.01 0.47 0.73 -0.59 -0.85 0.00 0.00 174.74 174.49 2jkc s PHE 162 N -1.28 -0.31 -0.10 1.40 -0.00 -0.19 -0.65 117.98 116.84 2jkc s PHE 162 Ca 0.25 -0.01 -0.30 0.00 -0.00 0.00 0.00 56.93 56.87 2jkc s PHE 162 Cb -0.12 0.63 -0.03 0.00 -0.00 0.00 0.00 43.02 43.51 2jkc s PHE 162 CO 0.17 -0.99 1.27 0.34 -0.00 0.00 0.00 175.22 176.01 2jkc s ASP 163 N -2.83 6.96 0.19 1.98 -1.08 -0.61 -4.48 116.67 116.80 2jkc s ASP 163 Ca 0.07 1.81 -0.12 0.00 -0.52 0.00 0.00 52.55 53.79 2jkc s ASP 163 Cb -0.03 -2.55 0.18 0.00 -1.46 0.00 0.00 42.92 39.06 2jkc s ASP 163 CO -0.02 -0.70 1.78 0.00 0.52 0.00 0.00 175.17 176.75 2jkc h ALA 164 N 7.96 0.70 -0.40 3.66 0.00 -1.88 -1.93 119.26 127.37 2jkc h ALA 164 Ca -0.31 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 2jkc h ALA 164 Cb 1.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2jkc h ALA 164 CO 0.93 -0.10 -0.29 0.45 0.00 0.00 0.00 179.25 180.23 2jkc h HIS 165 N 0.49 1.03 -0.53 0.00 3.86 -1.92 -3.02 115.15 115.06 2jkc h HIS 165 Ca 0.25 -0.27 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 2jkc h HIS 165 Cb 0.20 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 2jkc h HIS 165 CO -0.12 1.06 -0.10 -0.07 0.86 0.00 0.00 177.93 179.56 2jkc h LEU 166 N 0.74 0.99 -0.30 2.43 3.38 -1.83 -2.05 115.31 118.67 2jkc h LEU 166 Ca 0.08 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2jkc h LEU 166 Cb 0.86 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2jkc h LEU 166 CO 0.08 1.10 0.19 0.58 0.09 0.00 0.00 178.44 180.48 2jkc h VAL 167 N 0.88 1.09 -0.66 1.22 2.07 -1.35 0.46 116.25 119.96 2jkc h VAL 167 Ca 0.14 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2jkc h VAL 167 Cb 0.66 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2jkc h VAL 167 CO 0.05 0.09 0.38 0.00 0.02 0.00 0.00 177.57 178.11 2jkc h ALA 168 N 1.09 0.85 -0.36 1.67 0.00 -1.40 -1.42 119.26 119.69 2jkc h ALA 168 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2jkc h ALA 168 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2jkc h ALA 168 CO -0.02 0.34 -0.15 -0.44 0.00 0.00 0.00 179.25 178.98 2jkc h ASP 169 N 0.90 0.75 -0.51 0.00 3.32 -1.19 0.16 116.42 119.85 2jkc h ASP 169 Ca 0.24 -0.40 0.09 0.00 0.02 0.00 0.00 57.03 56.99 2jkc h ASP 169 Cb 0.00 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.27 2jkc h ASP 169 CO -0.04 0.97 0.05 0.15 -1.72 0.00 0.00 179.24 178.65 2jkc h PHE 170 N 0.52 0.07 -0.13 4.55 3.57 -0.81 -1.83 116.94 122.87 2jkc h PHE 170 Ca 0.08 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 2jkc h PHE 170 Cb 0.68 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2jkc h PHE 170 CO 0.06 -0.07 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.49 2jkc h LEU 171 N 0.17 0.39 -0.32 0.59 3.38 -0.91 -2.39 115.31 116.23 2jkc h LEU 171 Ca 0.26 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2jkc h LEU 171 Cb 0.38 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2jkc h LEU 171 CO -0.38 0.83 0.03 0.50 0.09 0.00 0.00 178.44 179.51 2jkc h LYS 172 N 0.28 0.13 -0.67 1.13 3.64 -0.41 -0.75 116.57 119.92 2jkc h LYS 172 Ca 0.01 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2jkc h LYS 172 Cb 0.99 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 2jkc h LYS 172 CO 0.08 0.08 0.15 0.00 -2.27 0.00 0.00 179.45 177.50 2jkc h ARG 173 N 0.13 1.08 -0.39 1.90 3.08 -1.18 -0.24 114.38 118.77 2jkc h ARG 173 Ca 0.15 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2jkc h ARG 173 Cb 0.19 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2jkc h ARG 173 CO -0.23 0.97 0.14 2.35 -1.07 0.00 0.00 179.97 182.13 2jkc h TRP 174 N 1.01 0.60 -0.08 3.04 7.01 -1.26 -2.21 115.95 124.06 2jkc h TRP 174 Ca 0.21 -0.05 -0.09 0.00 2.11 0.00 0.00 58.89 61.07 2jkc h TRP 174 Cb 0.38 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2jkc h TRP 174 CO 0.03 0.55 -0.31 0.00 -2.79 0.00 0.00 178.44 175.91 2jkc h ALA 175 N 0.99 0.14 -0.96 2.65 0.00 -1.02 -3.12 119.26 117.94 2jkc h ALA 175 Ca 0.13 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.63 2jkc h ALA 175 Cb 0.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2jkc h ALA 175 CO -0.01 0.19 0.63 0.28 0.00 0.00 0.00 179.25 180.34 2jkc h VAL 176 N -0.14 1.17 0.00 0.00 2.07 -1.09 -1.88 116.25 116.39 2jkc h VAL 176 Ca -0.02 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2jkc h VAL 176 Cb 0.96 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2jkc h VAL 176 CO 0.07 0.22 -0.03 -0.08 0.02 0.00 0.00 177.57 177.77 2jkc h GLU 177 N 1.23 0.00 -0.48 1.57 4.57 -1.45 -2.23 114.58 117.79 2jkc h GLU 177 Ca 0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 2jkc h GLU 177 Cb -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2jkc h GLU 177 CO -0.12 0.03 0.00 0.54 -1.18 0.00 0.00 179.01 178.29 2jkc n ARG 178 N -3.20 4.24 -0.13 1.92 1.74 -0.76 -4.95 116.66 115.53 2jkc n ARG 178 Ca -0.01 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.02 2jkc n ARG 178 Cb 0.23 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2jkc n ARG 178 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jkc n GLY 179 N 0.29 0.92 3.72 -0.13 0.00 -0.84 -5.01 105.19 104.14 2jkc n GLY 179 Ca 0.26 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2jkc n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkc s VAL 180 N -2.00 4.56 -0.42 1.61 1.01 -0.91 -4.67 120.40 119.57 2jkc s VAL 180 Ca 0.00 1.94 -0.23 0.00 0.00 0.00 0.00 61.98 63.69 2jkc s VAL 180 Cb 0.00 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2jkc s VAL 180 CO 0.00 0.21 0.78 0.20 0.00 0.00 0.00 175.10 176.29 2jkc s ASN 181 N 0.61 6.45 -0.25 3.32 0.01 -0.31 -4.48 114.94 120.29 2jkc s ASN 181 Ca 0.51 0.03 -0.18 0.00 -0.71 0.00 0.00 52.86 52.52 2jkc s ASN 181 Cb -0.24 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 2jkc s ASN 181 CO 0.29 -0.85 0.51 -0.60 -1.51 0.00 0.00 177.10 174.94 2jkc s ARG 182 N 3.22 4.08 -0.23 -0.60 3.52 -1.26 -0.70 118.95 126.98 2jkc s ARG 182 Ca 0.30 0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 56.20 2jkc s ARG 182 Cb -0.12 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2jkc s ARG 182 CO 0.21 -0.32 -0.06 0.08 -0.81 0.00 0.00 175.30 174.40 2jkc s VAL 183 N 2.20 3.09 -0.58 7.11 1.01 0.38 -4.99 120.40 128.62 2jkc s VAL 183 Ca 0.21 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 2jkc s VAL 183 Cb -0.16 -2.46 0.09 0.00 0.00 0.00 0.00 36.38 33.85 2jkc s VAL 183 CO 0.09 0.34 0.72 -0.69 0.00 0.00 0.00 175.10 175.56 2jkc s VAL 184 N 1.41 4.77 0.09 2.92 1.01 -1.26 -0.86 120.40 128.47 2jkc s VAL 184 Ca 0.04 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 2jkc s VAL 184 Cb -0.15 -4.46 0.09 0.00 0.00 0.00 0.00 36.38 31.85 2jkc s VAL 184 CO -0.05 -1.08 1.14 -0.62 0.00 0.00 0.00 175.10 174.49 2jkc s ASP 185 N 3.38 -0.04 -0.06 3.32 -1.08 -0.93 -4.95 116.67 116.29 2jkc s ASP 185 Ca 0.14 -0.39 0.01 0.00 -0.52 0.00 0.00 52.55 51.79 2jkc s ASP 185 Cb -0.22 0.34 0.02 0.00 -1.46 0.00 0.00 42.92 41.60 2jkc s ASP 185 CO 0.08 -0.66 -0.07 -0.70 0.52 0.00 0.00 175.17 174.35 2jkc s GLU 186 N -2.40 1.16 -0.07 4.34 2.12 -1.26 -2.93 118.70 119.66 2jkc s GLU 186 Ca 0.20 -0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.04 2jkc s GLU 186 Cb -0.00 -1.13 -0.04 0.00 0.26 0.00 0.00 34.13 33.21 2jkc s GLU 186 CO 0.01 -0.11 1.49 0.08 -0.54 0.00 0.00 175.26 176.19 2jkc s VAL 187 N 1.10 3.80 -0.17 3.70 1.01 -1.26 0.25 120.40 128.82 2jkc s VAL 187 Ca -0.08 1.03 0.12 0.00 0.00 0.00 0.00 61.98 63.05 2jkc s VAL 187 Cb -0.14 -3.66 -0.19 0.00 0.00 0.00 0.00 36.38 32.38 2jkc s VAL 187 CO -0.01 -0.07 0.01 1.33 0.00 0.00 0.00 175.10 176.36 2jkc n VAL 188 N 5.25 1.16 -4.00 2.92 0.24 0.92 -4.89 118.33 119.93 2jkc n VAL 188 Ca 0.15 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.34 61.70 2jkc n VAL 188 Cb 0.43 -0.69 -0.11 0.00 -1.47 0.00 0.00 33.84 32.01 2jkc n VAL 188 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2jkc s ASP 189 N -5.24 0.29 -0.14 -1.34 1.01 -0.68 -5.01 116.67 105.56 2jkc s ASP 189 Ca -0.12 -0.56 0.02 0.00 0.71 0.00 0.00 52.55 52.60 2jkc s ASP 189 Cb 0.05 0.11 0.01 0.00 1.01 0.00 0.00 42.92 44.10 2jkc s ASP 189 CO 0.65 -0.33 -0.20 -0.69 0.21 0.00 0.00 175.17 174.81 2jkc s VAL 190 N -1.73 1.92 -0.26 -1.27 1.01 -1.26 -0.70 120.40 118.12 2jkc s VAL 190 Ca -0.13 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 2jkc s VAL 190 Cb -0.08 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2jkc s VAL 190 CO -0.02 0.52 0.16 -0.13 0.00 0.00 0.00 175.10 175.63 2jkc s ARG 191 N 0.90 3.98 -0.05 2.72 3.00 -0.53 -5.03 118.95 123.95 2jkc s ARG 191 Ca -0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 55.73 55.36 2jkc s ARG 191 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 34.95 31.21 2jkc s ARG 191 CO -0.03 -0.05 -0.00 -0.51 0.00 0.00 0.00 175.30 174.71 2jkc s LEU 192 N 1.37 3.52 0.00 2.53 1.43 -1.26 -0.01 118.68 126.27 2jkc s LEU 192 Ca 0.07 0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 2jkc s LEU 192 Cb -0.15 -1.90 0.29 0.00 0.03 0.00 0.00 46.19 44.46 2jkc s LEU 192 CO 0.07 0.33 1.00 -0.46 0.23 0.00 0.00 176.35 177.52 2jkc n ASN 193 N 1.80 -2.24 0.18 2.29 0.23 -0.44 -4.85 115.26 112.24 2jkc n ASN 193 Ca -0.17 -1.09 0.05 0.00 -0.53 0.00 0.00 54.58 52.84 2jkc n ASN 193 Cb 0.53 -0.94 0.30 0.00 -2.08 0.00 0.00 39.78 37.60 2jkc n ASN 193 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2jkc h ASN 194 N -2.71 0.00 0.96 0.53 2.35 -2.01 -2.35 115.58 112.36 2jkc h ASN 194 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2jkc h ASN 194 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2jkc h ASN 194 CO 0.25 0.40 0.00 0.54 -1.65 0.00 0.00 177.43 176.96 2jkc n ARG 195 N -3.51 0.06 -0.12 0.81 1.74 -1.26 -4.94 116.66 109.44 2jkc n ARG 195 Ca -0.00 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2jkc n ARG 195 Cb 0.53 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2jkc n ARG 195 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jkc n GLY 196 N 1.04 0.94 3.85 -0.13 0.00 -0.89 -5.08 105.19 104.91 2jkc n GLY 196 Ca 0.06 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2jkc n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jkc s TYR 197 N -2.00 3.54 0.04 1.61 1.51 -1.26 -4.84 117.35 115.96 2jkc s TYR 197 Ca 0.00 1.10 -0.30 0.00 -1.01 0.00 0.00 57.07 56.85 2jkc s TYR 197 Cb 0.00 -2.41 -0.08 0.00 -0.11 0.00 0.00 41.96 39.36 2jkc s TYR 197 CO 0.00 0.34 1.75 0.42 -1.11 0.00 0.00 175.55 176.94 2jkc s ILE 198 N -1.62 3.08 -0.17 2.71 1.01 -1.26 -1.32 121.20 123.63 2jkc s ILE 198 Ca 0.43 0.37 -0.15 0.00 0.00 0.00 0.00 60.65 61.30 2jkc s ILE 198 Cb -0.14 -3.24 -0.11 0.00 0.01 0.00 0.00 42.46 38.98 2jkc s ILE 198 CO 0.20 -0.01 0.03 -1.28 0.00 0.00 0.00 174.94 173.88 2jkc h SER 199 N 9.12 0.00 -5.10 3.58 0.87 -0.76 -3.47 113.55 117.80 2jkc h SER 199 Ca -0.44 -0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 59.84 2jkc h SER 199 Cb 1.21 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.06 2jkc h SER 199 CO 0.94 1.09 0.01 0.54 -0.53 0.00 0.00 176.83 178.88 2jkc s ASN 200 N -6.26 -0.24 -0.13 6.23 2.20 -1.11 -4.52 114.94 111.11 2jkc s ASN 200 Ca -0.21 -0.50 -0.02 0.00 -0.94 0.00 0.00 52.86 51.20 2jkc s ASN 200 Cb 0.04 0.57 -0.02 0.00 -2.00 0.00 0.00 41.25 39.83 2jkc s ASN 200 CO 0.39 -1.04 -0.07 -0.76 -2.94 0.00 0.00 177.10 172.68 2jkc s LEU 201 N -2.88 3.06 -0.15 3.54 1.43 0.62 -1.45 118.68 122.86 2jkc s LEU 201 Ca 0.09 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 2jkc s LEU 201 Cb -0.01 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2jkc s LEU 201 CO -0.03 0.19 0.27 -0.22 0.23 0.00 0.00 176.35 176.80 2jkc s LEU 202 N 0.20 4.26 0.44 1.79 2.96 0.12 -0.50 118.68 127.96 2jkc s LEU 202 Ca -0.04 0.50 0.08 0.00 -0.22 0.00 0.00 54.13 54.44 2jkc s LEU 202 Cb -0.14 -2.33 0.02 0.00 0.50 0.00 0.00 46.19 44.23 2jkc s LEU 202 CO 0.04 0.14 0.60 0.42 -1.32 0.00 0.00 176.35 176.22 2jkc s THR 203 N 0.29 2.88 0.32 3.68 -4.23 -0.33 -0.06 115.64 118.19 2jkc s THR 203 Ca 0.16 -1.01 0.10 0.00 -1.18 0.00 0.00 61.69 59.76 2jkc s THR 203 Cb -0.13 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 70.87 2jkc s THR 203 CO 0.04 0.00 1.73 0.50 -0.54 0.00 0.00 174.62 176.35 2jkc h LYS 204 N 0.59 0.07 -0.67 3.99 3.64 -0.54 -2.87 116.57 120.79 2jkc h LYS 204 Ca -0.39 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.88 2jkc h LYS 204 Cb 1.28 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 2jkc h LYS 204 CO 0.45 0.51 0.10 0.39 -2.27 0.00 0.00 179.45 178.63 2jkc n GLU 205 N -4.00 4.34 -0.72 1.90 1.02 -1.26 -4.94 120.64 116.97 2jkc n GLU 205 Ca -0.02 -3.00 0.00 0.00 -0.02 0.00 0.00 57.16 54.13 2jkc n GLU 205 Cb 0.48 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 2jkc n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jkc n GLY 206 N 0.33 0.76 3.78 0.62 0.00 -1.08 -5.05 105.19 104.54 2jkc n GLY 206 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 2jkc n GLY 206 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jkc s ARG 207 N -0.28 4.11 -0.27 1.61 0.52 -1.26 -4.84 118.95 118.54 2jkc s ARG 207 Ca 0.00 1.58 -0.03 0.00 -0.52 0.00 0.00 55.73 56.76 2jkc s ARG 207 Cb 0.00 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.95 2jkc s ARG 207 CO 0.00 -0.20 -0.02 0.99 0.02 0.00 0.00 175.30 176.09 2jkc s THR 208 N -1.62 3.14 -0.18 0.02 2.01 -1.26 -1.19 115.64 116.56 2jkc s THR 208 Ca 0.58 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.46 2jkc s THR 208 Cb -0.24 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 2jkc s THR 208 CO 0.30 0.10 0.12 -0.76 -0.69 0.00 0.00 174.62 173.69 2jkc s LEU 209 N 1.35 4.16 0.22 4.42 1.43 0.35 -4.91 118.68 125.69 2jkc s LEU 209 Ca -0.00 0.24 0.10 0.00 -1.03 0.00 0.00 54.13 53.44 2jkc s LEU 209 Cb -0.17 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2jkc s LEU 209 CO -0.02 0.22 -0.19 -1.61 0.23 0.00 0.00 176.35 174.97 2jkc s GLU 210 N 0.13 1.49 0.09 1.70 2.02 -1.26 -0.27 118.70 122.60 2jkc s GLU 210 Ca 0.08 -1.61 -0.27 0.00 0.02 0.00 0.00 54.97 53.20 2jkc s GLU 210 Cb -0.11 -1.57 0.08 0.00 0.10 0.00 0.00 34.13 32.63 2jkc s GLU 210 CO -0.01 0.31 0.92 0.00 0.02 0.00 0.00 175.26 176.50 2jkc s ALA 211 N -2.31 -1.73 -0.01 5.21 0.00 -1.26 -4.84 121.76 116.82 2jkc s ALA 211 Ca 0.24 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 2jkc s ALA 211 Cb -0.05 0.55 -0.34 0.00 0.00 0.00 0.00 23.12 23.29 2jkc s ALA 211 CO 0.11 -0.89 0.93 -0.44 0.00 0.00 0.00 175.76 175.47 2jkc h ASP 212 N 2.00 0.68 -3.38 0.00 3.32 -1.06 -3.46 116.42 114.52 2jkc h ASP 212 Ca -0.24 -0.93 -0.58 0.00 0.02 0.00 0.00 57.03 55.31 2jkc h ASP 212 Cb 1.24 -0.22 -0.33 0.00 0.22 0.00 0.00 39.33 40.23 2jkc h ASP 212 CO 0.28 1.60 -0.84 -0.22 -1.72 0.00 0.00 179.24 178.34 2jkc s LEU 213 N -7.69 1.81 -0.18 1.55 2.96 -0.74 -4.91 118.68 111.46 2jkc s LEU 213 Ca -0.11 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 2jkc s LEU 213 Cb 0.03 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 2jkc s LEU 213 CO 0.89 0.08 0.01 -0.36 -1.32 0.00 0.00 176.35 175.65 2jkc s PHE 214 N 0.56 3.10 -0.27 5.38 0.08 -0.47 -1.68 117.98 124.68 2jkc s PHE 214 Ca -0.16 -0.24 -0.08 0.00 0.12 0.00 0.00 56.93 56.58 2jkc s PHE 214 Cb -0.17 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2jkc s PHE 214 CO 0.05 -0.06 0.09 0.42 -0.10 0.00 0.00 175.22 175.62 2jkc s ILE 215 N 0.64 4.33 -0.74 0.64 -1.09 -0.09 -1.71 121.20 123.19 2jkc s ILE 215 Ca 0.00 -0.29 -0.23 0.00 -2.23 0.00 0.00 60.65 57.90 2jkc s ILE 215 Cb -0.14 -3.09 0.07 0.00 -1.58 0.00 0.00 42.46 37.72 2jkc s ILE 215 CO 0.02 0.24 1.06 -0.62 -1.23 0.00 0.00 174.94 174.42 2jkc s ASP 216 N 1.60 6.26 -0.45 3.58 -1.08 -0.26 -1.03 116.67 125.29 2jkc s ASP 216 Ca 0.05 -1.11 0.03 0.00 -0.52 0.00 0.00 52.55 51.01 2jkc s ASP 216 Cb -0.16 -2.44 0.46 0.00 -1.46 0.00 0.00 42.92 39.32 2jkc s ASP 216 CO 0.04 -1.44 1.57 0.00 0.52 0.00 0.00 175.17 175.86 2jkc n SER 218 N -0.83 0.10 0.00 0.00 3.41 -1.01 -4.12 113.62 111.17 2jkc n SER 218 Ca 0.51 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 2jkc n SER 218 Cb 0.86 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 2jkc n SER 218 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jkc n GLY 219 N 0.92 -1.84 0.43 5.00 0.00 -1.26 -4.32 105.19 104.11 2jkc n GLY 219 Ca 0.19 -1.60 0.24 0.00 0.00 0.00 0.00 46.02 44.86 2jkc n GLY 219 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2jkc h MET 220 N 0.00 0.00 0.00 1.61 2.86 -1.95 -1.31 114.93 116.14 2jkc h MET 220 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2jkc h MET 220 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2jkc h MET 220 CO 0.00 0.00 -0.13 0.07 1.06 0.00 0.00 176.91 177.91 2jkc h ARG 221 N 0.00 0.00 -6.03 1.72 0.11 -1.87 -3.45 114.38 104.86 2jkc h ARG 221 Ca 0.33 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 60.03 2jkc h ARG 221 Cb 1.39 0.00 0.11 0.00 1.11 0.00 0.00 29.97 32.59 2jkc h ARG 221 CO -0.00 0.13 -0.91 0.41 0.10 0.00 0.00 179.97 179.70 2jkc n GLY 222 N -1.11 -1.05 0.26 0.08 0.00 -0.51 -4.50 105.19 98.37 2jkc n GLY 222 Ca -0.03 0.49 0.04 0.00 0.00 0.00 0.00 46.02 46.52 2jkc n GLY 222 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jkc h LEU 223 N -1.64 0.25 0.00 0.99 5.85 -1.87 0.07 115.31 118.96 2jkc h LEU 223 Ca -0.64 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.08 2jkc h LEU 223 Cb 1.34 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 2jkc h LEU 223 CO 0.47 0.11 -0.80 -0.07 -0.34 0.00 0.00 178.44 177.81 2jkc h LEU 224 N 0.43 0.00 -0.44 2.25 3.38 -1.95 -2.12 115.31 116.86 2jkc h LEU 224 Ca 0.38 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2jkc h LEU 224 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2jkc h LEU 224 CO -0.38 1.07 0.06 -0.29 0.09 0.00 0.00 178.44 179.00 2jkc h ILE 225 N -1.00 1.25 0.01 1.22 6.09 -1.93 0.24 117.51 123.40 2jkc h ILE 225 Ca -0.15 -0.90 -0.38 0.00 -1.37 0.00 0.00 64.86 62.05 2jkc h ILE 225 Cb 0.85 0.99 -0.05 0.00 0.47 0.00 0.00 36.82 39.07 2jkc h ILE 225 CO -0.09 0.31 -2.13 0.59 -3.07 0.00 0.00 178.15 173.76 2jkc n ASN 226 N -4.47 1.96 0.11 2.19 5.03 -0.12 -1.88 115.26 118.08 2jkc n ASN 226 Ca 0.00 0.26 -0.23 0.00 0.87 0.00 0.00 54.58 55.48 2jkc n ASN 226 Cb 0.25 -0.79 -0.15 0.00 -1.02 0.00 0.00 39.78 38.06 2jkc n ASN 226 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2jkc h GLN 227 N -0.70 0.47 0.00 3.52 4.20 -1.22 -2.54 115.11 118.84 2jkc h GLN 227 Ca -0.56 -0.78 -0.13 0.00 0.06 0.00 0.00 58.65 57.25 2jkc h GLN 227 Cb 1.63 0.29 -0.02 0.00 0.30 0.00 0.00 27.48 29.68 2jkc h GLN 227 CO -0.25 1.37 -0.88 0.00 -0.67 0.00 0.00 178.83 178.40 2jkc h ALA 228 N 0.14 0.14 0.00 3.87 0.00 -1.22 -3.39 119.26 118.81 2jkc h ALA 228 Ca -0.21 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.83 2jkc h ALA 228 Cb 1.97 0.60 0.00 0.00 0.00 0.00 0.00 17.79 20.36 2jkc h ALA 228 CO 0.23 0.58 -0.07 1.28 0.00 0.00 0.00 179.25 181.27 2jkc n LEU 229 N -4.52 0.10 -1.29 0.00 4.77 0.06 -4.93 117.00 111.20 2jkc n LEU 229 Ca -0.20 0.44 -0.15 0.00 -0.03 0.00 0.00 56.01 56.06 2jkc n LEU 229 Cb 0.49 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2jkc n LEU 229 CO 0.15 0.01 -0.15 0.29 -1.33 0.00 0.00 177.39 176.36 2jkc n LYS 230 N -1.54 -1.06 -1.84 3.23 4.76 -0.96 -4.96 118.16 115.80 2jkc n LYS 230 Ca 0.07 0.92 -0.42 0.00 -2.87 0.00 0.00 58.31 56.01 2jkc n LYS 230 Cb 0.34 -5.10 -0.03 0.00 -1.84 0.00 0.00 35.03 28.41 2jkc n LYS 230 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2jkc s GLU 231 N -3.69 4.17 0.31 1.97 2.56 -0.78 -4.96 118.70 118.28 2jkc s GLU 231 Ca 0.00 2.45 -0.29 0.00 0.00 0.00 0.00 54.97 57.13 2jkc s GLU 231 Cb 0.00 -3.52 -0.13 0.00 2.00 0.00 0.00 34.13 32.48 2jkc s GLU 231 CO 0.00 -0.76 1.26 -2.30 -0.56 0.00 0.00 175.26 172.90 2jkc n PRO 232 N 5.37 1.98 -3.65 4.30 -0.02 -1.26 -4.58 135.00 137.14 2jkc n PRO 232 Ca 0.16 0.70 -0.36 0.00 -2.02 0.00 0.00 63.50 61.98 2jkc n PRO 232 Cb 0.39 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 2jkc n PRO 232 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2jkc s PHE 233 N -0.89 3.43 -0.65 6.00 5.36 -1.26 -1.18 117.98 128.78 2jkc s PHE 233 Ca 0.58 0.44 -0.21 0.00 -0.96 0.00 0.00 56.93 56.78 2jkc s PHE 233 Cb -0.61 -2.23 0.08 0.00 -0.34 0.00 0.00 43.02 39.92 2jkc s PHE 233 CO 0.60 0.27 0.90 0.42 -1.46 0.00 0.00 175.22 175.95 2jkc s ILE 234 N 0.39 4.48 0.18 3.12 1.01 0.26 -4.91 121.20 125.74 2jkc s ILE 234 Ca 0.12 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 2jkc s ILE 234 Cb -0.12 -4.64 -0.09 0.00 0.01 0.00 0.00 42.46 37.63 2jkc s ILE 234 CO 0.00 -1.37 1.41 -0.62 0.00 0.00 0.00 174.94 174.36 2jkc s ASP 235 N 3.66 6.76 -0.26 3.58 -1.08 -1.26 -2.93 116.67 125.15 2jkc s ASP 235 Ca 0.20 2.49 0.08 0.00 -0.52 0.00 0.00 52.55 54.80 2jkc s ASP 235 Cb -0.18 -2.60 0.45 0.00 -1.46 0.00 0.00 42.92 39.12 2jkc s ASP 235 CO 0.08 -0.65 1.20 0.23 0.52 0.00 0.00 175.17 176.55 2jkc n MET 236 N 3.10 2.88 0.00 4.34 2.81 0.16 -4.72 117.12 125.69 2jkc n MET 236 Ca 0.09 -3.86 0.09 0.00 -1.81 0.00 0.00 57.70 52.21 2jkc n MET 236 Cb 0.41 -2.04 0.41 0.00 -0.71 0.00 0.00 33.22 31.30 2jkc n MET 236 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2jkc n SER 237 N -0.86 0.00 0.17 7.83 3.41 -1.26 -1.03 113.62 121.89 2jkc n SER 237 Ca 0.35 0.34 0.05 0.00 -0.26 0.00 0.00 58.87 59.34 2jkc n SER 237 Cb 0.87 -0.43 0.26 0.00 -0.26 0.00 0.00 64.21 64.65 2jkc n SER 237 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2jkc h ASP 238 N 0.00 0.00 0.19 4.04 2.03 -1.96 -3.35 116.42 117.37 2jkc h ASP 238 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 2jkc h ASP 238 Cb 0.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 2jkc h ASP 238 CO 0.00 0.42 -1.80 1.88 -1.03 0.00 0.00 179.24 178.71 2jkc h TYR 239 N 0.00 0.65 -3.59 4.15 0.05 -1.30 -1.95 116.97 114.98 2jkc h TYR 239 Ca -0.00 -0.47 -0.24 0.00 0.05 0.00 0.00 58.73 58.06 2jkc h TYR 239 Cb 1.02 -0.03 -0.30 0.00 1.01 0.00 0.00 36.73 38.44 2jkc h TYR 239 CO 0.00 1.69 -0.69 -0.51 -1.05 0.00 0.00 178.16 177.60 2jkc s LEU 240 N -7.21 1.59 0.03 3.88 1.43 -0.97 -4.68 118.68 112.74 2jkc s LEU 240 Ca -0.17 0.08 0.18 0.00 -1.03 0.00 0.00 54.13 53.18 2jkc s LEU 240 Cb 0.06 0.08 -0.16 0.00 0.03 0.00 0.00 46.19 46.20 2jkc s LEU 240 CO 0.83 -0.05 0.71 0.18 0.23 0.00 0.00 176.35 178.25 2jkc n LEU 241 N 3.43 0.67 -4.77 1.79 4.77 -1.26 -4.21 117.00 117.41 2jkc n LEU 241 Ca -0.17 0.29 -0.34 0.00 -0.03 0.00 0.00 56.01 55.76 2jkc n LEU 241 Cb 0.57 0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 2jkc n LEU 241 CO 0.24 0.16 0.77 0.00 -1.33 0.00 0.00 177.39 177.22 2jkc n ASP 243 N -1.64 0.00 -3.63 0.00 5.68 -0.32 -4.78 116.55 111.86 2jkc n ASP 243 Ca 0.11 -1.00 -0.10 0.00 -0.50 0.00 0.00 54.79 53.30 2jkc n ASP 243 Cb 0.51 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.46 2jkc n ASP 243 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2jkc s SER 244 N 0.00 -0.31 -0.08 -1.12 0.01 -0.61 -0.98 113.70 110.61 2jkc s SER 244 Ca 0.00 -0.32 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 2jkc s SER 244 Cb 0.00 0.54 0.04 0.00 0.21 0.00 0.00 66.02 66.81 2jkc s SER 244 CO 0.00 -0.96 0.41 0.00 0.41 0.00 0.00 173.24 173.10 2jkc s ALA 245 N -3.82 -1.02 -0.21 1.44 0.00 0.13 -0.49 121.76 117.80 2jkc s ALA 245 Ca 0.05 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 2jkc s ALA 245 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2jkc s ALA 245 CO -0.09 -0.25 -0.11 0.54 0.00 0.00 0.00 175.76 175.86 2jkc s VAL 246 N -0.62 2.77 0.05 0.00 0.11 -0.57 -0.54 120.40 121.58 2jkc s VAL 246 Ca -0.07 -0.75 0.06 0.00 -2.93 0.00 0.00 61.98 58.29 2jkc s VAL 246 Cb -0.04 -2.25 -0.02 0.00 -1.53 0.00 0.00 36.38 32.54 2jkc s VAL 246 CO 0.03 0.44 -0.17 0.00 -3.33 0.00 0.00 175.10 172.08 2jkc s ALA 247 N 1.38 1.40 0.22 1.54 0.00 0.18 -1.22 121.76 125.26 2jkc s ALA 247 Ca 0.05 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 2jkc s ALA 247 Cb -0.14 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.78 2jkc s ALA 247 CO -0.07 0.28 0.60 0.45 0.00 0.00 0.00 175.76 177.02 2jkc s SER 248 N -1.26 -0.31 -0.08 0.00 0.15 -0.05 -0.05 113.70 112.11 2jkc s SER 248 Ca 0.03 -0.47 -0.11 0.00 0.70 0.00 0.00 55.95 56.11 2jkc s SER 248 Cb -0.08 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 64.82 2jkc s SER 248 CO 0.02 -1.15 0.26 0.00 1.20 0.00 0.00 173.24 173.56 2jkc s ALA 249 N -3.88 3.79 -0.10 5.45 0.00 -1.26 -0.56 121.76 125.21 2jkc s ALA 249 Ca 0.09 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.61 2jkc s ALA 249 Cb -0.03 -2.16 0.01 0.00 0.00 0.00 0.00 23.12 20.94 2jkc s ALA 249 CO -0.00 0.53 -0.14 0.08 0.00 0.00 0.00 175.76 176.23 2jkc s VAL 250 N -0.94 1.36 0.55 0.00 1.01 0.52 -4.98 120.40 117.92 2jkc s VAL 250 Ca 0.18 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 2jkc s VAL 250 Cb -0.14 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 2jkc s VAL 250 CO 0.08 0.41 1.33 -2.84 0.00 0.00 0.00 175.10 174.08 2jkc s PRO 251 N 0.95 3.11 -0.01 2.72 0.02 -1.26 -1.04 135.00 139.48 2jkc s PRO 251 Ca -0.08 2.17 0.05 0.00 0.02 0.00 0.00 61.00 63.16 2jkc s PRO 251 Cb -0.15 -2.21 -0.01 0.00 0.02 0.00 0.00 34.50 32.15 2jkc s PRO 251 CO -0.00 -1.19 -0.16 1.21 -0.33 0.00 0.00 177.00 176.52 2jkc s ASN 252 N -1.05 1.88 -1.12 2.53 2.47 -0.59 -4.80 114.94 114.26 2jkc s ASN 252 Ca 0.72 -0.29 -0.17 0.00 0.42 0.00 0.00 52.86 53.55 2jkc s ASN 252 Cb -0.39 -0.21 0.13 0.00 -1.45 0.00 0.00 41.25 39.33 2jkc s ASN 252 CO 0.45 0.20 1.39 -0.62 -3.72 0.00 0.00 177.10 174.80 2jkc s ASP 253 N -0.38 6.85 0.29 -4.21 -1.08 -1.26 -4.60 116.67 112.28 2jkc s ASP 253 Ca 0.06 -2.47 -0.02 0.00 -0.52 0.00 0.00 52.55 49.60 2jkc s ASP 253 Cb -0.06 -2.44 0.42 0.00 -1.46 0.00 0.00 42.92 39.37 2jkc s ASP 253 CO -0.01 -0.98 1.93 0.44 0.52 0.00 0.00 175.17 177.07 2jkc h ASP 254 N 7.99 0.92 -0.18 -0.34 3.32 -1.91 0.53 116.42 126.75 2jkc h ASP 254 Ca 0.28 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 2jkc h ASP 254 Cb 0.93 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2jkc h ASP 254 CO 1.25 0.72 -0.43 0.00 -1.72 0.00 0.00 179.24 179.07 2jkc h ALA 255 N 1.43 0.70 0.01 3.45 0.00 -1.88 0.23 119.26 123.20 2jkc h ALA 255 Ca 0.27 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2jkc h ALA 255 Cb -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jkc h ALA 255 CO -0.05 0.67 -0.43 -0.09 0.00 0.00 0.00 179.25 179.34 2jkc h ARG 256 N 0.59 0.27 -0.00 0.00 2.43 -1.88 -3.41 114.38 112.38 2jkc h ARG 256 Ca 0.04 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2jkc h ARG 256 Cb 0.98 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2jkc h ARG 256 CO 0.09 1.03 -0.72 -0.25 -1.51 0.00 0.00 179.97 178.61 2jkc n ASP 257 N -4.36 0.73 -0.16 -3.80 8.00 0.18 -5.11 116.55 112.04 2jkc n ASP 257 Ca -0.10 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2jkc n ASP 257 Cb 0.60 1.00 -0.00 0.00 -0.02 0.00 0.00 41.12 42.70 2jkc n ASP 257 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jkc n GLY 258 N 1.36 -1.99 2.76 0.44 0.00 0.80 -4.86 105.19 103.70 2jkc n GLY 258 Ca 0.03 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 2jkc n GLY 258 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkc s VAL 259 N -0.20 0.62 0.04 1.61 1.01 -1.26 -4.52 120.40 117.69 2jkc s VAL 259 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 2jkc s VAL 259 Cb 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.21 2jkc s VAL 259 CO 0.00 -0.18 1.81 -1.61 0.00 0.00 0.00 175.10 175.12 2jkc s GLU 260 N 1.82 4.16 0.00 2.72 2.02 -1.26 -4.44 118.70 123.71 2jkc s GLU 260 Ca -0.01 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.44 2jkc s GLU 260 Cb -0.17 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.15 2jkc s GLU 260 CO -0.08 -0.87 1.62 -0.35 0.02 0.00 0.00 175.26 175.60 2jkc n PRO 261 N 6.73 0.92 -3.62 0.39 -0.04 -1.26 -4.57 135.00 133.55 2jkc n PRO 261 Ca 0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2jkc n PRO 261 Cb 0.41 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.81 2jkc n PRO 261 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2jkc s TYR 262 N 0.13 -0.26 0.02 0.54 -0.85 -1.24 -0.11 117.35 115.58 2jkc s TYR 262 Ca 0.00 0.03 -0.20 0.00 -0.52 0.00 0.00 57.07 56.38 2jkc s TYR 262 Cb 0.00 0.59 -0.06 0.00 0.38 0.00 0.00 41.96 42.87 2jkc s TYR 262 CO 0.00 -0.73 0.57 0.99 -1.52 0.00 0.00 175.55 174.87 2jkc s THR 263 N -3.28 4.85 0.01 -3.49 2.01 -1.04 -4.46 115.64 110.24 2jkc s THR 263 Ca 0.08 1.21 -0.02 0.00 0.31 0.00 0.00 61.69 63.28 2jkc s THR 263 Cb -0.01 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2jkc s THR 263 CO -0.04 0.48 0.18 -0.44 -0.69 0.00 0.00 174.62 174.11 2jkc s SER 264 N -0.57 6.27 -0.31 3.53 0.01 -0.79 -0.38 113.70 121.45 2jkc s SER 264 Ca 0.30 0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.86 2jkc s SER 264 Cb -0.19 -1.94 0.09 0.00 0.21 0.00 0.00 66.02 64.20 2jkc s SER 264 CO 0.18 0.24 0.05 -0.55 0.41 0.00 0.00 173.24 173.57 2jkc s SER 265 N -2.08 4.28 -0.39 2.44 0.15 0.88 -1.74 113.70 117.23 2jkc s SER 265 Ca 0.29 -1.76 -0.12 0.00 0.70 0.00 0.00 55.95 55.06 2jkc s SER 265 Cb -0.13 -1.21 0.03 0.00 -1.71 0.00 0.00 66.02 63.01 2jkc s SER 265 CO 0.21 -0.37 0.24 -0.63 1.20 0.00 0.00 173.24 173.88 2jkc s ILE 266 N 1.31 4.70 0.25 6.45 1.01 -0.06 -0.87 121.20 133.98 2jkc s ILE 266 Ca 0.08 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 2jkc s ILE 266 Cb -0.18 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.53 2jkc s ILE 266 CO -0.15 -0.30 1.34 0.00 0.00 0.00 0.00 174.94 175.83 2jkc s ALA 267 N 1.57 3.55 0.04 9.38 0.00 -0.13 -0.34 121.76 135.82 2jkc s ALA 267 Ca 0.03 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.19 2jkc s ALA 267 Cb -0.20 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2jkc s ALA 267 CO 0.07 -0.61 0.02 -1.33 0.00 0.00 0.00 175.76 173.91 2jkc n MET 268 N 2.09 1.50 -0.07 0.00 0.00 0.88 -4.88 117.12 116.63 2jkc n MET 268 Ca 0.05 -0.24 -0.08 0.00 0.00 0.00 0.00 57.70 57.43 2jkc n MET 268 Cb 0.42 0.03 0.08 0.00 0.00 0.00 0.00 33.22 33.74 2jkc n MET 268 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 2jkc h ASN 269 N 0.05 0.77 -0.60 7.83 2.35 -1.99 -3.37 115.58 120.62 2jkc h ASN 269 Ca -0.02 -0.31 -0.33 0.00 -0.55 0.00 0.00 56.30 55.09 2jkc h ASN 269 Cb 0.09 -0.21 -0.41 0.00 0.05 0.00 0.00 38.32 37.84 2jkc h ASN 269 CO 0.04 1.02 -1.06 -1.20 -1.65 0.00 0.00 177.43 174.58 2jkc n SER 270 N -4.08 2.30 0.00 5.81 7.64 -1.26 -4.56 113.62 119.46 2jkc n SER 270 Ca -0.01 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.38 2jkc n SER 270 Cb 0.47 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2jkc n SER 270 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jkc n GLY 271 N -0.55 -0.02 3.31 0.23 0.00 -1.26 -2.11 105.19 104.80 2jkc n GLY 271 Ca 0.15 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 2jkc n GLY 271 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jkc s TRP 272 N -4.00 -0.23 -0.15 1.61 1.48 -0.44 -0.08 118.94 117.13 2jkc s TRP 272 Ca 0.00 0.11 -0.02 0.00 -1.06 0.00 0.00 56.10 55.13 2jkc s TRP 272 Cb 0.00 0.21 -0.02 0.00 -1.16 0.00 0.00 33.47 32.49 2jkc s TRP 272 CO 0.00 -0.59 -0.08 0.99 -4.06 0.00 0.00 176.95 173.21 2jkc s THR 273 N -2.76 3.50 0.32 0.66 2.01 0.54 -0.17 115.64 119.74 2jkc s THR 273 Ca -0.03 -0.50 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 2jkc s THR 273 Cb -0.00 -2.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.92 2jkc s THR 273 CO -0.04 0.50 0.71 -1.66 -0.69 0.00 0.00 174.62 173.44 2jkc s TRP 274 N 0.41 3.40 -0.06 4.92 -2.14 0.90 -0.88 118.94 125.49 2jkc s TRP 274 Ca -0.07 1.12 0.00 0.00 2.66 0.00 0.00 56.10 59.81 2jkc s TRP 274 Cb -0.15 -2.46 0.02 0.00 -3.10 0.00 0.00 33.47 27.78 2jkc s TRP 274 CO 0.04 0.08 -0.03 0.21 -2.66 0.00 0.00 176.95 174.59 2jkc s LYS 275 N -3.14 0.75 -0.49 3.25 2.20 -0.71 -2.71 119.74 118.89 2jkc s LYS 275 Ca 0.52 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 56.14 2jkc s LYS 275 Cb -0.10 -0.91 0.15 0.00 -1.51 0.00 0.00 37.83 35.46 2jkc s LYS 275 CO 0.21 -0.18 0.32 0.42 -0.36 0.00 0.00 175.35 175.76 2jkc s ILE 276 N 1.35 1.50 0.31 5.43 1.01 0.43 -1.88 121.20 129.35 2jkc s ILE 276 Ca -0.04 -2.96 -0.29 0.00 0.00 0.00 0.00 60.65 57.36 2jkc s ILE 276 Cb -0.13 -2.03 -0.10 0.00 0.01 0.00 0.00 42.46 40.21 2jkc s ILE 276 CO -0.02 -1.00 1.27 -2.84 0.00 0.00 0.00 174.94 172.35 2jkc s PRO 277 N -0.12 4.41 0.34 2.79 0.02 -1.26 -2.04 135.00 139.14 2jkc s PRO 277 Ca 0.23 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.38 2jkc s PRO 277 Cb -0.14 -3.11 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 2jkc s PRO 277 CO -0.08 -0.13 0.41 0.00 -0.33 0.00 0.00 177.00 176.87 2jkc s MET 278 N -1.51 1.85 0.15 5.54 0.23 -0.54 -4.77 119.30 120.25 2jkc s MET 278 Ca 0.49 -1.84 -0.32 0.00 -1.03 0.00 0.00 55.69 52.99 2jkc s MET 278 Cb -0.38 0.40 -0.12 0.00 -1.53 0.00 0.00 34.83 33.20 2jkc s MET 278 CO 0.49 -0.74 1.75 1.28 -2.03 0.00 0.00 175.02 175.77 2jkc n LEU 279 N -0.58 3.83 0.00 0.18 4.77 -1.26 -2.93 117.00 121.01 2jkc n LEU 279 Ca 0.03 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 2jkc n LEU 279 Cb 0.62 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2jkc n LEU 279 CO 0.31 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2jkc n GLY 280 N 4.00 3.09 3.52 -0.72 0.00 -1.26 -4.94 105.19 108.88 2jkc n GLY 280 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2jkc n GLY 280 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jkc s ARG 281 N -0.31 0.86 0.02 1.61 3.00 -1.15 -1.53 118.95 121.44 2jkc s ARG 281 Ca 0.00 -0.09 0.08 0.00 -1.00 0.00 0.00 55.73 54.71 2jkc s ARG 281 Cb 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 34.95 35.33 2jkc s ARG 281 CO 0.00 -0.33 -0.23 -0.59 0.00 0.00 0.00 175.30 174.15 2jkc s PHE 282 N -2.28 2.04 0.21 5.12 -0.12 -0.21 -1.46 117.98 121.27 2jkc s PHE 282 Ca -0.00 -0.39 -0.30 0.00 -0.05 0.00 0.00 56.93 56.19 2jkc s PHE 282 Cb -0.01 -1.25 -0.08 0.00 -0.63 0.00 0.00 43.02 41.05 2jkc s PHE 282 CO -0.03 0.05 1.02 0.20 -0.05 0.00 0.00 175.22 176.41 2jkc s GLY 283 N -0.95 3.01 0.04 1.99 0.00 -0.86 -0.36 107.32 110.19 2jkc s GLY 283 Ca 0.09 0.72 -0.08 0.00 0.00 0.00 0.00 44.72 45.45 2jkc s GLY 283 CO 0.01 1.43 0.15 -0.45 0.00 0.00 0.00 173.10 174.25 2jkc s SER 284 N -0.59 0.09 -0.28 1.64 0.15 0.28 -0.43 113.70 114.56 2jkc s SER 284 Ca 0.45 -0.42 -0.19 0.00 0.70 0.00 0.00 55.95 56.49 2jkc s SER 284 Cb -0.28 0.26 0.12 0.00 -1.71 0.00 0.00 66.02 64.42 2jkc s SER 284 CO 0.34 -0.53 0.93 -0.83 1.20 0.00 0.00 173.24 174.36 2jkc s GLY 285 N -2.06 -0.19 -0.43 9.45 0.00 -1.10 -0.87 107.32 112.13 2jkc s GLY 285 Ca -0.06 2.81 -0.17 0.00 0.00 0.00 0.00 44.72 47.30 2jkc s GLY 285 CO -0.04 2.26 0.43 -0.47 0.00 0.00 0.00 173.10 175.29 2jkc s TYR 286 N 0.97 3.18 -0.16 1.90 5.04 -0.36 -0.07 117.35 127.85 2jkc s TYR 286 Ca -0.05 -0.47 -0.29 0.00 -2.44 0.00 0.00 57.07 53.82 2jkc s TYR 286 Cb -0.04 -2.94 -0.01 0.00 0.35 0.00 0.00 41.96 39.32 2jkc s TYR 286 CO -0.12 -0.73 0.98 0.08 -1.34 0.00 0.00 175.55 174.43 2jkc s VAL 287 N 2.07 4.77 0.13 3.14 1.01 0.77 -1.52 120.40 130.77 2jkc s VAL 287 Ca 0.11 1.96 -0.01 0.00 0.00 0.00 0.00 61.98 64.03 2jkc s VAL 287 Cb -0.18 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2jkc s VAL 287 CO 0.12 -0.05 0.07 0.72 0.00 0.00 0.00 175.10 175.96 2jkc s PHE 288 N 2.43 0.86 -0.22 5.22 -0.12 0.36 -1.33 117.98 125.17 2jkc s PHE 288 Ca 0.45 -1.22 -0.07 0.00 -0.05 0.00 0.00 56.93 56.03 2jkc s PHE 288 Cb -0.17 -0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 41.72 2jkc s PHE 288 CO 0.13 -0.53 0.06 0.45 -0.05 0.00 0.00 175.22 175.28 2jkc s SER 289 N -3.05 5.30 0.22 1.98 0.15 -0.89 -1.17 113.70 116.23 2jkc s SER 289 Ca 0.24 -0.10 0.22 0.00 0.70 0.00 0.00 55.95 57.02 2jkc s SER 289 Cb 0.07 -1.93 0.92 0.00 -1.71 0.00 0.00 66.02 63.37 2jkc s SER 289 CO 0.02 0.05 1.68 -1.54 1.20 0.00 0.00 173.24 174.65 2jkc n SER 290 N 4.36 0.57 0.16 5.45 3.41 -1.26 -2.01 113.62 124.30 2jkc n SER 290 Ca -0.16 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 2jkc n SER 290 Cb 0.52 -0.76 0.38 0.00 -0.26 0.00 0.00 64.21 64.09 2jkc n SER 290 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2jkc h HIS 291 N 0.00 0.00 0.00 7.33 3.86 -1.94 -3.35 115.15 121.05 2jkc h HIS 291 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2jkc h HIS 291 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2jkc h HIS 291 CO 0.00 0.00 -1.36 1.19 0.86 0.00 0.00 177.93 178.62 2jkc n PHE 292 N -2.57 0.00 -3.82 2.45 3.72 -0.85 -5.03 117.46 111.35 2jkc n PHE 292 Ca 0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.32 2jkc n PHE 292 Cb 0.42 -0.23 -0.10 0.00 -0.94 0.00 0.00 39.48 38.63 2jkc n PHE 292 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2jkc s THR 293 N -2.26 0.05 0.60 4.37 -1.32 -0.94 -4.98 115.64 111.16 2jkc s THR 293 Ca -0.03 -0.45 -0.14 0.00 -1.21 0.00 0.00 61.69 59.86 2jkc s THR 293 Cb 0.03 -0.46 -0.04 0.00 -1.51 0.00 0.00 72.50 70.52 2jkc s THR 293 CO 0.25 -0.25 1.04 -0.94 -2.21 0.00 0.00 174.62 172.51 2jkc s SER 294 N -0.97 5.93 0.38 8.08 1.04 -1.26 -4.12 113.70 122.77 2jkc s SER 294 Ca -0.11 1.66 0.07 0.00 0.48 0.00 0.00 55.95 58.06 2jkc s SER 294 Cb -0.05 -2.51 0.79 0.00 0.10 0.00 0.00 66.02 64.35 2jkc s SER 294 CO 0.02 -1.06 1.97 -0.09 0.98 0.00 0.00 173.24 175.06 2jkc h ARG 295 N 0.17 0.67 -0.29 4.02 2.43 -1.95 -0.46 114.38 118.96 2jkc h ARG 295 Ca -0.46 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2jkc h ARG 295 Cb 1.21 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2jkc h ARG 295 CO 0.59 0.44 0.15 0.22 -1.51 0.00 0.00 179.97 179.86 2jkc h ASP 296 N 0.69 0.37 -0.23 -3.80 3.58 -1.99 -0.74 116.42 114.30 2jkc h ASP 296 Ca 0.29 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 2jkc h ASP 296 Cb 0.25 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2jkc h ASP 296 CO -0.09 0.38 0.00 -0.61 -2.88 0.00 0.00 179.24 176.04 2jkc h GLN 297 N 0.34 0.41 -0.93 0.28 5.75 -1.88 -2.15 115.11 116.93 2jkc h GLN 297 Ca 0.10 -0.13 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2jkc h GLN 297 Cb 0.10 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 2jkc h GLN 297 CO -0.01 0.59 0.61 0.00 -2.65 0.00 0.00 178.83 177.36 2jkc h ALA 298 N 0.81 1.46 -0.14 3.38 0.00 -1.03 0.75 119.26 124.48 2jkc h ALA 298 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jkc h ALA 298 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jkc h ALA 298 CO 0.01 0.42 0.08 1.15 0.00 0.00 0.00 179.25 180.91 2jkc h THR 299 N 1.10 1.06 -0.44 0.00 2.02 -1.04 -0.51 112.91 115.11 2jkc h THR 299 Ca 0.39 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.48 2jkc h THR 299 Cb 0.13 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 2jkc h THR 299 CO -0.14 0.06 0.14 0.00 0.37 0.00 0.00 175.52 175.95 2jkc h ALA 300 N 1.01 0.52 -0.81 6.16 0.00 -0.69 -1.54 119.26 123.92 2jkc h ALA 300 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jkc h ALA 300 Cb 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2jkc h ALA 300 CO -0.01 -0.25 0.51 -0.44 0.00 0.00 0.00 179.25 179.06 2jkc h ASP 301 N 0.31 0.96 -0.10 0.00 3.32 -0.68 -1.15 116.42 119.07 2jkc h ASP 301 Ca 0.21 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2jkc h ASP 301 Cb 0.22 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2jkc h ASP 301 CO -0.22 0.72 0.04 0.15 -1.72 0.00 0.00 179.24 178.20 2jkc h PHE 302 N 1.11 0.16 -0.69 4.55 3.57 -0.85 -1.44 116.94 123.35 2jkc h PHE 302 Ca 0.29 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2jkc h PHE 302 Cb -0.08 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 2jkc h PHE 302 CO -0.01 0.28 0.36 -0.07 -2.23 0.00 0.00 178.31 176.64 2jkc h LEU 303 N -0.01 0.89 -0.21 0.59 3.38 -1.19 -3.07 115.31 115.69 2jkc h LEU 303 Ca 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2jkc h LEU 303 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jkc h LEU 303 CO -0.00 0.75 0.10 0.50 0.09 0.00 0.00 178.44 179.88 2jkc h LYS 304 N 0.96 0.31 -0.91 1.13 3.64 -1.09 0.63 116.57 121.23 2jkc h LYS 304 Ca 0.24 -0.05 0.26 0.00 -1.27 0.00 0.00 60.65 59.83 2jkc h LYS 304 Cb 0.08 -0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 31.69 2jkc h LYS 304 CO -0.03 0.33 0.22 1.25 -2.27 0.00 0.00 179.45 178.94 2jkc h LEU 305 N 0.21 -0.07 -1.79 5.20 5.85 -1.16 -2.19 115.31 121.36 2jkc h LEU 305 Ca 0.07 0.22 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2jkc h LEU 305 Cb 0.12 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2jkc h LEU 305 CO -0.01 -0.22 0.00 0.79 -0.34 0.00 0.00 178.44 178.66 2jkc n TRP 306 N -5.28 0.08 -3.54 1.25 5.03 -1.11 -4.98 117.44 108.89 2jkc n TRP 306 Ca 0.23 -0.06 -0.21 0.00 3.03 0.00 0.00 57.50 60.49 2jkc n TRP 306 Cb 0.75 -0.00 0.08 0.00 -1.03 0.00 0.00 31.31 31.11 2jkc n TRP 306 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2jkc n GLY 307 N 0.97 -0.47 3.93 6.99 0.00 -0.23 -5.02 105.19 111.36 2jkc n GLY 307 Ca 0.11 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 2jkc n GLY 307 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jkc s LEU 308 N -6.91 3.36 0.21 0.99 1.43 0.05 -5.03 118.68 112.78 2jkc s LEU 308 Ca 0.34 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 54.01 2jkc s LEU 308 Cb -0.15 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 2jkc s LEU 308 CO 0.73 -0.95 0.44 -0.94 0.23 0.00 0.00 176.35 175.87 2jkc s SER 309 N -4.27 6.46 0.10 2.29 1.04 -1.26 -4.78 113.70 113.28 2jkc s SER 309 Ca 0.52 0.59 0.06 0.00 0.48 0.00 0.00 55.95 57.61 2jkc s SER 309 Cb -0.10 -2.09 0.34 0.00 0.10 0.00 0.00 66.02 64.27 2jkc s SER 309 CO 0.43 -0.06 1.15 0.47 0.98 0.00 0.00 173.24 176.22 2jkc n ASP 310 N -0.45 0.16 -0.13 7.02 10.43 -1.26 -1.13 116.55 131.20 2jkc n ASP 310 Ca -0.03 0.54 0.11 0.00 2.57 0.00 0.00 54.79 57.98 2jkc n ASP 310 Cb 0.53 -0.55 -0.01 0.00 1.84 0.00 0.00 41.12 42.94 2jkc n ASP 310 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2jkc n ASN 311 N -1.69 1.17 -4.63 -2.24 3.02 -1.26 -4.97 115.26 104.65 2jkc n ASN 311 Ca -0.00 -1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.12 2jkc n ASN 311 Cb 0.07 0.71 -0.02 0.00 -0.61 0.00 0.00 39.78 39.92 2jkc n ASN 311 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2jkc s GLN 312 N -2.85 3.89 0.44 3.52 2.00 -0.28 -5.00 119.66 121.38 2jkc s GLN 312 Ca 0.12 1.63 -0.23 0.00 -2.00 0.00 0.00 55.36 54.88 2jkc s GLN 312 Cb 0.17 -3.98 -0.08 0.00 0.80 0.00 0.00 33.01 29.92 2jkc s GLN 312 CO 0.75 -1.17 1.10 -2.14 -0.50 0.00 0.00 175.29 173.33 2jkc s PRO 313 N 4.43 3.91 0.05 1.67 0.02 -1.26 -5.00 135.00 138.82 2jkc s PRO 313 Ca 0.67 1.60 0.05 0.00 0.02 0.00 0.00 61.00 63.34 2jkc s PRO 313 Cb -0.24 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.86 2jkc s PRO 313 CO 0.27 -0.38 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.90 2jkc s LEU 314 N -2.98 2.22 -0.71 -5.54 1.43 -1.26 -4.90 118.68 106.95 2jkc s LEU 314 Ca 0.62 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.00 2jkc s LEU 314 Cb -0.24 -0.55 0.11 0.00 0.03 0.00 0.00 46.19 45.54 2jkc s LEU 314 CO 0.29 -0.02 0.87 0.21 0.23 0.00 0.00 176.35 177.93 2jkc s ASN 315 N -1.42 6.33 -0.28 2.29 3.84 0.92 -4.95 114.94 121.68 2jkc s ASN 315 Ca -0.00 -1.57 -0.21 0.00 0.21 0.00 0.00 52.86 51.29 2jkc s ASN 315 Cb -0.09 -2.34 -0.01 0.00 -0.55 0.00 0.00 41.25 38.25 2jkc s ASN 315 CO 0.02 -1.14 0.65 -1.10 -2.79 0.00 0.00 177.10 172.74 2jkc s GLN 316 N 2.81 4.01 -0.01 0.43 -1.52 -1.26 -0.64 119.66 123.47 2jkc s GLN 316 Ca 0.19 0.45 0.07 0.00 -1.95 0.00 0.00 55.36 54.13 2jkc s GLN 316 Cb -0.17 -3.69 -0.02 0.00 -0.22 0.00 0.00 33.01 28.91 2jkc s GLN 316 CO 0.02 -0.51 -0.22 0.42 -0.25 0.00 0.00 175.29 174.75 2jkc s ILE 317 N 2.60 2.42 0.23 1.08 1.01 0.29 -5.02 121.20 123.82 2jkc s ILE 317 Ca 0.27 -1.06 0.11 0.00 0.00 0.00 0.00 60.65 59.97 2jkc s ILE 317 Cb -0.15 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2jkc s ILE 317 CO 0.10 0.52 -0.21 -1.59 0.00 0.00 0.00 174.94 173.76 2jkc s LYS 318 N -0.84 1.54 0.12 2.79 -2.85 -1.26 -0.69 119.74 118.55 2jkc s LYS 318 Ca 0.11 -1.62 -0.14 0.00 -1.00 0.00 0.00 55.97 53.33 2jkc s LYS 318 Cb -0.10 -1.69 0.02 0.00 -2.06 0.00 0.00 37.83 34.00 2jkc s LYS 318 CO 0.01 0.34 0.35 -0.59 0.10 0.00 0.00 175.35 175.56 2jkc s PHE 319 N -2.16 -0.08 -0.13 1.78 -0.12 -0.15 -4.93 117.98 112.18 2jkc s PHE 319 Ca 0.24 -0.27 -0.03 0.00 -0.05 0.00 0.00 56.93 56.82 2jkc s PHE 319 Cb -0.06 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.48 2jkc s PHE 319 CO 0.11 -0.68 -0.03 1.03 -0.05 0.00 0.00 175.22 175.60 2jkc s ARG 320 N -3.83 3.43 -0.02 1.99 0.52 -1.26 -4.64 118.95 115.14 2jkc s ARG 320 Ca 0.05 -0.50 -0.23 0.00 -0.52 0.00 0.00 55.73 54.53 2jkc s ARG 320 Cb 0.02 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 2jkc s ARG 320 CO -0.10 0.38 0.69 0.08 0.02 0.00 0.00 175.30 176.37 2jkc s VAL 321 N -0.02 4.93 -5.00 3.52 1.01 -1.26 -4.47 120.40 119.11 2jkc s VAL 321 Ca 0.01 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2jkc s VAL 321 Cb -0.13 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2jkc s VAL 321 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2jkc n GLY 322 N 2.74 0.74 3.25 4.51 0.00 -1.08 0.38 105.19 115.73 2jkc n GLY 322 Ca -0.03 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 2jkc n GLY 322 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jkc s ARG 323 N -2.00 0.90 0.54 1.61 1.70 -1.15 -0.87 118.95 119.69 2jkc s ARG 323 Ca 0.00 -0.80 -0.21 0.00 -0.47 0.00 0.00 55.73 54.25 2jkc s ARG 323 Cb 0.00 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.70 2jkc s ARG 323 CO 0.00 -0.31 1.07 0.09 -1.08 0.00 0.00 175.30 175.07 2jkc n ASN 324 N 0.00 1.37 -0.35 -2.89 3.02 -0.57 -0.58 115.26 115.26 2jkc n ASN 324 Ca -0.16 0.90 0.06 0.00 -0.03 0.00 0.00 54.58 55.35 2jkc n ASN 324 Cb 0.62 -1.43 0.23 0.00 -0.61 0.00 0.00 39.78 38.59 2jkc n ASN 324 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2jkc h LYS 325 N 0.98 1.01 -3.68 3.52 3.64 -1.49 -3.42 116.57 117.14 2jkc h LYS 325 Ca -0.48 -0.06 -0.31 0.00 -1.27 0.00 0.00 60.65 58.53 2jkc h LYS 325 Cb 1.34 -0.23 -0.33 0.00 -0.41 0.00 0.00 32.23 32.61 2jkc h LYS 325 CO 0.54 0.67 -0.74 1.03 -2.27 0.00 0.00 179.45 178.68 2jkc s ARG 326 N -5.96 0.12 0.16 1.90 0.52 -1.26 -5.03 118.95 109.40 2jkc s ARG 326 Ca -0.12 0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.22 2jkc s ARG 326 Cb 0.21 -0.30 -0.03 0.00 0.52 0.00 0.00 34.95 35.35 2jkc s ARG 326 CO 0.81 -0.11 1.36 0.00 0.02 0.00 0.00 175.30 177.38 2jkc h ALA 327 N 7.01 0.50 -3.22 2.13 0.00 -1.89 -3.43 119.26 120.36 2jkc h ALA 327 Ca -0.40 -0.76 -0.59 0.00 0.00 0.00 0.00 54.91 53.15 2jkc h ALA 327 Cb 1.14 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.48 2jkc h ALA 327 CO 0.49 0.99 -0.82 -0.46 0.00 0.00 0.00 179.25 179.44 2jkc s TRP 328 N -3.09 2.13 -0.08 0.00 -0.11 -1.26 -0.83 118.94 115.71 2jkc s TRP 328 Ca -0.02 -1.26 0.01 0.00 1.22 0.00 0.00 56.10 56.05 2jkc s TRP 328 Cb 0.10 -1.55 0.02 0.00 -1.50 0.00 0.00 33.47 30.54 2jkc s TRP 328 CO 0.82 -0.67 -0.07 0.08 -4.62 0.00 0.00 176.95 172.49 2jkc s VAL 329 N 1.50 0.86 0.00 5.86 1.01 -0.27 -4.90 120.40 124.46 2jkc s VAL 329 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2jkc s VAL 329 Cb -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2jkc s VAL 329 CO -0.10 0.32 0.00 0.59 0.00 0.00 0.00 175.10 175.91 2jkc n ASN 330 N 4.39 0.00 -1.98 3.32 3.02 -1.26 -1.57 115.26 121.17 2jkc n ASN 330 Ca -0.18 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.20 2jkc n ASN 330 Cb 0.51 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.88 2jkc n ASN 330 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2jkc n ASN 331 N 7.45 3.70 -3.76 6.41 6.94 -1.26 -4.92 115.26 129.82 2jkc n ASN 331 Ca 0.00 -3.57 -0.22 0.00 -0.02 0.00 0.00 54.58 50.77 2jkc n ASN 331 Cb 0.00 -0.78 -0.18 0.00 -2.36 0.00 0.00 39.78 36.46 2jkc n ASN 331 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jkc s VAL 333 N 1.91 3.93 0.20 0.00 1.01 -0.69 -1.11 120.40 125.65 2jkc s VAL 333 Ca 0.03 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 2jkc s VAL 333 Cb -0.12 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 2jkc s VAL 333 CO -0.04 0.37 0.83 -0.94 0.00 0.00 0.00 175.10 175.32 2jkc s SER 334 N 1.56 7.43 -0.03 3.32 1.04 -0.01 -1.10 113.70 125.91 2jkc s SER 334 Ca 0.06 1.72 -0.01 0.00 0.48 0.00 0.00 55.95 58.20 2jkc s SER 334 Cb -0.15 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.47 2jkc s SER 334 CO 0.01 0.16 0.05 -0.63 0.98 0.00 0.00 173.24 173.81 2jkc s ILE 335 N -1.22 -0.04 0.00 -1.02 -1.09 -0.66 -4.77 121.20 112.39 2jkc s ILE 335 Ca 0.39 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 2jkc s ILE 335 Cb -0.23 -0.11 0.00 0.00 -1.58 0.00 0.00 42.46 40.54 2jkc s ILE 335 CO 0.27 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 2jkc n GLY 336 N 3.94 0.57 0.14 6.18 0.00 -1.26 -4.29 105.19 110.48 2jkc n GLY 336 Ca -0.24 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.49 2jkc n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jkc n LEU 337 N 0.00 0.67 0.07 0.99 4.77 -1.26 -1.68 117.00 120.56 2jkc n LEU 337 Ca 0.00 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 2jkc n LEU 337 Cb 0.00 -0.65 0.47 0.00 -2.33 0.00 0.00 43.42 40.91 2jkc n LEU 337 CO 0.00 -0.67 0.90 -1.54 -1.33 0.00 0.00 177.39 174.75 2jkc n SER 338 N -2.28 0.56 -0.12 -1.43 3.41 -1.09 -3.77 113.62 108.90 2jkc n SER 338 Ca 0.01 0.56 -0.26 0.00 -0.26 0.00 0.00 58.87 58.92 2jkc n SER 338 Cb 0.18 -0.71 -0.11 0.00 -0.26 0.00 0.00 64.21 63.32 2jkc n SER 338 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jkc n SER 339 N -2.03 1.95 -3.72 4.04 2.88 -0.68 -4.72 113.62 111.34 2jkc n SER 339 Ca 0.06 0.30 -0.04 0.00 -1.33 0.00 0.00 58.87 57.86 2jkc n SER 339 Cb 0.38 -0.81 -0.01 0.00 -0.75 0.00 0.00 64.21 63.02 2jkc n SER 339 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jkc s PHE 341 N -3.24 -0.40 -0.06 0.00 5.36 -0.05 -4.31 117.98 115.28 2jkc s PHE 341 Ca 0.11 0.87 -0.03 0.00 -0.96 0.00 0.00 56.93 56.92 2jkc s PHE 341 Cb -0.01 0.17 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 2jkc s PHE 341 CO 0.01 -0.32 0.14 -1.17 -1.46 0.00 0.00 175.22 172.42 2jkc s LEU 342 N -0.42 0.88 0.49 6.12 2.96 -1.26 -2.63 118.68 124.82 2jkc s LEU 342 Ca -0.06 0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 53.93 2jkc s LEU 342 Cb -0.03 0.38 -0.09 0.00 0.50 0.00 0.00 46.19 46.95 2jkc s LEU 342 CO 0.03 -0.13 0.94 -1.84 -1.32 0.00 0.00 176.35 174.03 2jkc n GLU 343 N 3.96 1.13 -0.07 1.98 0.28 -1.26 -4.81 120.64 121.85 2jkc n GLU 343 Ca -0.24 0.42 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 2jkc n GLU 343 Cb 0.53 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.36 2jkc n GLU 343 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2jkc n PRO 344 N -0.21 0.65 0.30 3.44 -0.04 -1.26 -4.20 135.00 133.67 2jkc n PRO 344 Ca 0.11 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.74 2jkc n PRO 344 Cb 0.42 -1.18 0.92 0.00 -0.04 0.00 0.00 33.50 33.63 2jkc n PRO 344 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2jkc h LEU 345 N 1.79 0.00 -1.17 1.53 5.85 -1.99 -2.77 115.31 118.54 2jkc h LEU 345 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jkc h LEU 345 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2jkc h LEU 345 CO 0.00 0.04 0.00 -0.90 -0.34 0.00 0.00 178.44 177.24 2jkc n ASP 346 N -3.49 1.10 -4.03 1.25 5.75 -1.26 -5.04 116.55 110.82 2jkc n ASP 346 Ca -0.02 -1.09 -0.43 0.00 -0.01 0.00 0.00 54.79 53.24 2jkc n ASP 346 Cb 0.15 -0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.26 2jkc n ASP 346 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jkc n SER 347 N -0.03 -4.26 -0.13 -1.12 3.41 -1.05 -4.94 113.62 105.50 2jkc n SER 347 Ca 0.00 -1.24 0.02 0.00 -0.26 0.00 0.00 58.87 57.38 2jkc n SER 347 Cb 0.03 -1.62 0.02 0.00 -0.26 0.00 0.00 64.21 62.37 2jkc n SER 347 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jkc n THR 348 N -4.59 0.14 -0.13 6.66 -2.24 -1.26 -4.52 114.28 108.34 2jkc n THR 348 Ca -0.15 -0.57 -0.06 0.00 -2.27 0.00 0.00 64.05 60.99 2jkc n THR 348 Cb 0.59 0.99 0.02 0.00 -2.10 0.00 0.00 70.33 69.83 2jkc n THR 348 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2jkc h GLY 349 N 0.60 0.56 1.65 3.38 0.00 -1.92 -0.17 103.07 107.17 2jkc h GLY 349 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 47.33 46.94 2jkc h GLY 349 CO 0.00 0.11 -1.07 -2.22 0.00 0.00 0.00 176.54 173.35 2jkc h ILE 350 N 0.42 1.48 -0.73 2.60 2.04 -1.90 -2.91 117.51 118.51 2jkc h ILE 350 Ca 0.17 -2.82 0.15 0.00 1.00 0.00 0.00 64.86 63.37 2jkc h ILE 350 Cb 0.07 2.70 -0.11 0.00 -0.74 0.00 0.00 36.82 38.74 2jkc h ILE 350 CO -0.12 0.83 0.20 0.22 0.00 0.00 0.00 178.15 179.27 2jkc h TYR 351 N 0.12 0.31 -0.08 1.37 3.20 -1.80 -1.14 116.97 118.96 2jkc h TYR 351 Ca -0.09 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2jkc h TYR 351 Cb 1.76 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 40.00 2jkc h TYR 351 CO 0.05 -0.06 0.05 0.74 -1.64 0.00 0.00 178.16 177.30 2jkc h PHE 352 N 0.30 0.10 0.52 -3.82 0.04 -0.83 0.13 116.94 113.38 2jkc h PHE 352 Ca 0.41 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.15 2jkc h PHE 352 Cb 0.68 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.80 2jkc h PHE 352 CO -0.24 0.07 -0.25 0.82 -0.60 0.00 0.00 178.31 178.11 2jkc h ILE 353 N 0.11 0.00 0.00 -0.55 2.04 -1.15 -2.19 117.51 115.77 2jkc h ILE 353 Ca 0.03 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 2jkc h ILE 353 Cb -0.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 2jkc h ILE 353 CO -0.01 0.00 -0.31 0.10 0.00 0.00 0.00 178.15 177.93 2jkc h TYR 354 N -1.18 0.00 -0.29 1.37 -0.00 -1.39 -1.48 116.97 114.01 2jkc h TYR 354 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.57 2jkc h TYR 354 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.26 2jkc h TYR 354 CO 0.00 0.31 -0.16 0.00 -0.00 0.00 0.00 178.16 178.32 2jkc h ALA 355 N 1.69 0.40 -0.56 0.10 0.00 -0.81 -0.57 119.26 119.52 2jkc h ALA 355 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2jkc h ALA 355 Cb 0.73 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2jkc h ALA 355 CO 0.04 0.31 0.23 0.00 0.00 0.00 0.00 179.25 179.83 2jkc h ALA 356 N 0.74 1.35 -0.14 0.00 0.00 -1.20 -1.38 119.26 118.64 2jkc h ALA 356 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jkc h ALA 356 Cb 0.68 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jkc h ALA 356 CO 0.05 0.49 -0.09 -0.07 0.00 0.00 0.00 179.25 179.63 2jkc h LEU 357 N 0.80 0.32 -0.72 0.00 3.38 -1.02 0.13 115.31 118.19 2jkc h LEU 357 Ca 0.19 -0.43 0.15 0.00 0.09 0.00 0.00 57.88 57.87 2jkc h LEU 357 Cb 0.15 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 2jkc h LEU 357 CO -0.02 0.69 0.22 0.22 0.09 0.00 0.00 178.44 179.64 2jkc h TYR 358 N -0.04 0.37 -0.03 1.13 3.20 -1.04 -2.14 116.97 118.41 2jkc h TYR 358 Ca 0.03 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.77 2jkc h TYR 358 Cb 0.57 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2jkc h TYR 358 CO 0.07 -0.02 -0.74 1.96 -1.64 0.00 0.00 178.16 177.79 2jkc h GLN 359 N 0.34 0.22 -0.49 1.82 1.08 -0.93 -2.33 115.11 114.82 2jkc h GLN 359 Ca 0.40 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2jkc h GLN 359 Cb 0.64 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 2jkc h GLN 359 CO -0.45 0.87 0.21 1.25 -0.95 0.00 0.00 178.83 179.76 2jkc h LEU 360 N 0.15 0.66 -0.95 1.46 5.85 -0.55 -1.95 115.31 119.98 2jkc h LEU 360 Ca -0.03 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 2jkc h LEU 360 Cb 1.31 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2jkc h LEU 360 CO 0.11 0.63 -0.09 0.58 -0.34 0.00 0.00 178.44 179.33 2jkc h VAL 361 N 0.65 1.24 0.00 1.05 2.07 -1.30 -0.22 116.25 119.75 2jkc h VAL 361 Ca 0.17 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 2jkc h VAL 361 Cb 0.16 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2jkc h VAL 361 CO -0.02 0.36 -0.14 0.11 0.02 0.00 0.00 177.57 177.90 2jkc h LYS 362 N 0.61 0.00 -0.09 1.57 1.79 -1.24 -3.08 116.57 116.12 2jkc h LYS 362 Ca 0.11 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 2jkc h LYS 362 Cb 0.52 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 2jkc h LYS 362 CO 0.03 0.14 -0.35 0.72 -1.08 0.00 0.00 179.45 178.92 2jkc n HIS 363 N -3.78 0.28 -1.80 -1.35 8.25 -0.75 -5.08 115.22 110.99 2jkc n HIS 363 Ca -0.02 -1.47 -0.42 0.00 -0.26 0.00 0.00 57.72 55.55 2jkc n HIS 363 Cb 0.25 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 2jkc n HIS 363 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2jkc s PHE 364 N -3.20 2.90 0.63 4.41 5.36 -0.16 -4.77 117.98 123.14 2jkc s PHE 364 Ca 0.39 0.56 -0.04 0.00 -0.96 0.00 0.00 56.93 56.88 2jkc s PHE 364 Cb 0.37 -4.06 0.04 0.00 -0.34 0.00 0.00 43.02 39.03 2jkc s PHE 364 CO -0.04 -3.86 0.91 -1.25 -1.46 0.00 0.00 175.22 169.52 2jkc s PRO 365 N 0.63 2.41 0.34 10.12 0.04 -1.26 -5.08 135.00 142.19 2jkc s PRO 365 Ca 0.70 -0.42 0.05 0.00 0.04 0.00 0.00 61.00 61.37 2jkc s PRO 365 Cb -0.48 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 31.81 2jkc s PRO 365 CO 0.37 -0.98 0.40 -0.40 0.04 0.00 0.00 177.00 176.43 2jkc n ASP 366 N -2.66 1.50 0.00 6.66 5.68 -1.26 -4.43 116.55 122.03 2jkc n ASP 366 Ca 0.07 -1.98 0.08 0.00 -0.50 0.00 0.00 54.79 52.46 2jkc n ASP 366 Cb 0.60 -0.18 0.43 0.00 -1.14 0.00 0.00 41.12 40.83 2jkc n ASP 366 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2jkc n THR 367 N -1.60 0.33 1.06 2.12 -2.24 -0.35 -2.04 114.28 111.55 2jkc n THR 367 Ca 0.06 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 2jkc n THR 367 Cb 0.36 -0.83 0.19 0.00 -2.10 0.00 0.00 70.33 67.95 2jkc n THR 367 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jkc n SER 368 N -1.17 0.84 -3.89 3.42 3.41 -1.26 -5.00 113.62 109.96 2jkc n SER 368 Ca 0.09 -0.64 -0.38 0.00 -0.26 0.00 0.00 58.87 57.68 2jkc n SER 368 Cb 0.10 0.38 0.03 0.00 -0.26 0.00 0.00 64.21 64.46 2jkc n SER 368 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2jkc n PHE 369 N -1.19 -1.67 -1.57 7.33 3.72 -0.86 -4.82 117.46 118.40 2jkc n PHE 369 Ca 0.07 0.30 -0.53 0.00 -0.05 0.00 0.00 57.45 57.24 2jkc n PHE 369 Cb 0.35 -3.02 -0.07 0.00 -0.94 0.00 0.00 39.48 35.80 2jkc n PHE 369 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2jkc n ASP 370 N -2.36 2.39 0.30 4.37 -0.08 -1.26 -4.84 116.55 115.07 2jkc n ASP 370 Ca -0.13 0.74 0.20 0.00 -1.51 0.00 0.00 54.79 54.09 2jkc n ASP 370 Cb 0.58 -1.23 1.08 0.00 2.34 0.00 0.00 41.12 43.89 2jkc n ASP 370 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2jkc h PRO 371 N 10.01 0.00 0.00 -0.67 0.13 -2.00 -1.87 132.00 137.61 2jkc h PRO 371 Ca -0.37 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 2jkc h PRO 371 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2jkc h PRO 371 CO 0.99 0.00 -0.39 0.00 -0.23 0.00 0.00 178.00 178.37 2jkc h ARG 372 N 0.00 0.00 -0.06 0.86 3.08 -1.99 -0.16 114.38 116.11 2jkc h ARG 372 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2jkc h ARG 372 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2jkc h ARG 372 CO 0.00 0.39 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.88 2jkc h LEU 373 N 0.00 0.41 -0.60 3.04 3.38 -1.69 -2.81 115.31 117.03 2jkc h LEU 373 Ca -0.00 -0.66 -0.12 0.00 0.09 0.00 0.00 57.88 57.19 2jkc h LEU 373 Cb 0.73 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2jkc h LEU 373 CO 0.05 1.00 -0.16 0.77 0.09 0.00 0.00 178.44 180.20 2jkc h SER 374 N -0.15 0.95 -0.32 -0.43 4.64 -1.61 -1.82 113.55 114.80 2jkc h SER 374 Ca -0.02 -0.33 0.05 0.00 -0.47 0.00 0.00 61.79 61.02 2jkc h SER 374 Cb 1.00 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 2jkc h SER 374 CO 0.07 1.09 0.06 0.44 -0.87 0.00 0.00 176.83 177.62 2jkc h ASP 375 N 0.83 -0.00 -0.63 4.97 3.32 -1.10 0.38 116.42 124.19 2jkc h ASP 375 Ca 0.12 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 2jkc h ASP 375 Cb 0.71 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2jkc h ASP 375 CO 0.05 0.04 0.05 0.00 -1.72 0.00 0.00 179.24 177.66 2jkc h ALA 376 N 1.24 0.88 -0.13 3.45 0.00 -1.42 -1.96 119.26 121.32 2jkc h ALA 376 Ca 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jkc h ALA 376 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jkc h ALA 376 CO -0.21 0.67 0.07 0.35 0.00 0.00 0.00 179.25 180.13 2jkc h PHE 377 N 1.00 0.17 -0.71 0.00 3.57 -1.11 -2.96 116.94 116.90 2jkc h PHE 377 Ca 0.19 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.75 2jkc h PHE 377 Cb 0.51 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 2jkc h PHE 377 CO 0.04 0.19 0.40 -0.91 -2.23 0.00 0.00 178.31 175.79 2jkc h ASN 378 N 0.11 0.58 -0.09 0.41 2.35 0.06 -2.21 115.58 116.79 2jkc h ASN 378 Ca 0.04 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2jkc h ASN 378 Cb 0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2jkc h ASN 378 CO -0.01 0.37 -0.03 0.00 -1.65 0.00 0.00 177.43 176.10 2jkc h ALA 379 N 1.37 1.55 -0.32 -0.83 0.00 -1.37 -1.69 119.26 117.97 2jkc h ALA 379 Ca 0.32 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2jkc h ALA 379 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2jkc h ALA 379 CO -0.20 0.33 -0.27 0.93 0.00 0.00 0.00 179.25 180.04 2jkc h GLU 380 N 0.31 0.65 -0.20 0.00 4.39 -1.24 -2.79 114.58 115.71 2jkc h GLU 380 Ca 0.07 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 2jkc h GLU 380 Cb 0.27 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2jkc h GLU 380 CO 0.01 0.85 -0.17 0.82 -1.16 0.00 0.00 179.01 179.36 2jkc h ILE 381 N 0.57 1.33 0.06 3.13 1.08 -1.05 -2.02 117.51 120.60 2jkc h ILE 381 Ca 0.07 -1.32 0.02 0.00 -0.39 0.00 0.00 64.86 63.25 2jkc h ILE 381 Cb 0.75 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 36.21 2jkc h ILE 381 CO 0.06 0.40 -0.27 0.58 -0.69 0.00 0.00 178.15 178.23 2jkc h VAL 382 N 0.14 0.40 -0.61 1.67 2.07 -1.36 -0.73 116.25 117.83 2jkc h VAL 382 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2jkc h VAL 382 Cb 0.71 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2jkc h VAL 382 CO 0.04 0.00 0.37 -0.74 0.02 0.00 0.00 177.57 177.26 2jkc h HIS 383 N -0.45 0.69 0.05 1.57 -0.00 -1.56 -1.10 115.15 114.36 2jkc h HIS 383 Ca 0.05 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.44 2jkc h HIS 383 Cb 0.51 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 2jkc h HIS 383 CO -0.28 0.39 -0.07 1.98 -0.00 0.00 0.00 177.93 179.95 2jkc h MET 384 N 0.72 -0.15 -0.03 5.26 -1.53 -1.08 -2.59 114.93 115.54 2jkc h MET 384 Ca 0.25 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.51 2jkc h MET 384 Cb 0.04 0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.12 2jkc h MET 384 CO -0.11 -0.10 -0.00 0.35 0.14 0.00 0.00 176.91 177.19 2jkc h PHE 385 N -0.15 0.06 -0.25 1.39 3.57 -0.93 -2.98 116.94 117.64 2jkc h PHE 385 Ca 0.01 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2jkc h PHE 385 Cb 0.16 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2jkc h PHE 385 CO -0.12 0.37 -0.32 -0.44 -2.23 0.00 0.00 178.31 175.58 2jkc h ASP 386 N -0.27 0.55 -0.58 0.41 3.32 -1.23 0.15 116.42 118.77 2jkc h ASP 386 Ca 0.01 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 2jkc h ASP 386 Cb 0.35 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2jkc h ASP 386 CO 0.00 0.84 0.06 0.44 -1.72 0.00 0.00 179.24 178.86 2jkc h ASP 387 N 0.45 0.98 -0.35 6.45 3.32 -1.52 -0.82 116.42 124.92 2jkc h ASP 387 Ca 0.05 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 2jkc h ASP 387 Cb 0.78 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2jkc h ASP 387 CO 0.06 1.00 -0.38 0.00 -1.72 0.00 0.00 179.24 178.20 2jkc h ARG 389 N 0.68 0.41 -0.67 0.00 2.43 -0.54 -0.51 114.38 116.17 2jkc h ARG 389 Ca 0.05 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2jkc h ARG 389 Cb 0.97 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 2jkc h ARG 389 CO 0.09 0.27 0.18 -0.44 -1.51 0.00 0.00 179.97 178.57 2jkc h ASP 390 N 0.42 0.99 -0.37 -3.80 3.32 -1.12 -1.20 116.42 114.66 2jkc h ASP 390 Ca 0.21 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 2jkc h ASP 390 Cb 0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2jkc h ASP 390 CO -0.17 0.94 -0.12 0.15 -1.72 0.00 0.00 179.24 178.32 2jkc h PHE 391 N 1.01 0.84 -0.32 4.55 3.57 -0.76 -2.06 116.94 123.77 2jkc h PHE 391 Ca 0.22 -0.19 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2jkc h PHE 391 Cb 0.32 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2jkc h PHE 391 CO 0.02 0.90 0.17 0.28 -2.23 0.00 0.00 178.31 177.45 2jkc h VAL 392 N 0.54 1.01 -0.03 1.41 2.07 -1.01 -3.03 116.25 117.20 2jkc h VAL 392 Ca 0.09 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2jkc h VAL 392 Cb 0.65 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2jkc h VAL 392 CO 0.04 0.06 -0.08 -0.61 0.02 0.00 0.00 177.57 177.01 2jkc h GLN 393 N 0.35 0.04 0.00 1.57 4.15 -0.99 -2.52 115.11 117.72 2jkc h GLN 393 Ca 0.13 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 2jkc h GLN 393 Cb 0.03 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2jkc h GLN 393 CO -0.08 0.13 -0.11 0.00 -1.93 0.00 0.00 178.83 176.84 2jkc h ALA 394 N 1.88 1.82 -0.82 3.38 0.00 -1.25 -1.33 119.26 122.94 2jkc h ALA 394 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jkc h ALA 394 Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2jkc h ALA 394 CO 0.01 0.14 0.37 0.45 0.00 0.00 0.00 179.25 180.21 2jkc h HIS 395 N 0.00 1.22 -0.07 0.00 3.86 -1.52 -2.94 115.15 115.70 2jkc h HIS 395 Ca -0.00 -0.07 -0.18 0.00 -1.16 0.00 0.00 60.37 58.96 2jkc h HIS 395 Cb 0.19 -0.37 0.01 0.00 1.06 0.00 0.00 27.41 28.30 2jkc h HIS 395 CO 0.00 0.90 -0.65 1.88 0.86 0.00 0.00 177.93 180.91 2jkc h TYR 396 N 1.18 0.79 -0.00 2.45 0.05 -1.41 -3.02 116.97 117.01 2jkc h TYR 396 Ca 0.28 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2jkc h TYR 396 Cb 0.16 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2jkc h TYR 396 CO 0.02 1.19 -0.16 1.97 -1.05 0.00 0.00 178.16 180.12 2jkc n PHE 397 N -4.13 0.00 -0.01 4.88 1.16 -0.60 -3.75 117.46 115.01 2jkc n PHE 397 Ca -0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.48 2jkc n PHE 397 Cb 0.69 -0.36 -0.12 0.00 -1.61 0.00 0.00 39.48 38.07 2jkc n PHE 397 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 2jkc n THR 398 N -1.40 1.02 -1.52 1.97 -1.04 -1.11 -4.83 114.28 107.37 2jkc n THR 398 Ca 0.08 -0.70 -0.38 0.00 -2.04 0.00 0.00 64.05 61.01 2jkc n THR 398 Cb 0.32 -0.52 0.04 0.00 -1.82 0.00 0.00 70.33 68.35 2jkc n THR 398 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2jkc n THR 399 N -2.73 2.81 0.92 12.58 5.66 -1.14 -4.83 114.28 127.56 2jkc n THR 399 Ca -0.15 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.46 2jkc n THR 399 Cb 0.88 -0.86 0.07 0.00 -1.55 0.00 0.00 70.33 68.88 2jkc n THR 399 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2jkc n SER 400 N 0.02 2.65 -4.70 1.09 7.64 -1.07 -4.91 113.62 114.33 2jkc n SER 400 Ca 0.12 -1.82 -0.43 0.00 1.01 0.00 0.00 58.87 57.75 2jkc n SER 400 Cb 0.47 0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.74 2jkc n SER 400 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jkc n ARG 401 N 0.98 2.38 -0.39 1.43 1.74 -1.24 -4.71 116.66 116.84 2jkc n ARG 401 Ca 0.12 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 2jkc n ARG 401 Cb 0.53 -2.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 2jkc n ARG 401 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2jkc n ASP 402 N 2.51 0.00 0.06 0.55 5.75 -1.26 -4.37 116.55 119.79 2jkc n ASP 402 Ca 0.12 -1.74 0.13 0.00 -0.01 0.00 0.00 54.79 53.28 2jkc n ASP 402 Cb 0.33 -0.15 0.48 0.00 -1.03 0.00 0.00 41.12 40.76 2jkc n ASP 402 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2jkc n ASP 403 N 0.00 0.42 -4.11 -1.12 5.75 -1.26 -4.81 116.55 111.41 2jkc n ASP 403 Ca 0.00 0.55 -0.08 0.00 -0.01 0.00 0.00 54.79 55.25 2jkc n ASP 403 Cb 0.65 -0.66 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 2jkc n ASP 403 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2jkc s THR 404 N -3.08 0.22 0.28 2.12 -4.23 -1.26 -5.05 115.64 104.64 2jkc s THR 404 Ca 0.10 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 2jkc s THR 404 Cb 0.14 -1.69 0.28 0.00 1.34 0.00 0.00 72.50 72.56 2jkc s THR 404 CO 0.51 -0.83 1.83 -0.65 -0.54 0.00 0.00 174.62 174.94 2jkc h PRO 405 N 3.05 0.93 -0.23 3.99 0.11 -1.89 -1.94 132.00 136.02 2jkc h PRO 405 Ca -0.34 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.76 2jkc h PRO 405 Cb 1.16 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 2jkc h PRO 405 CO 0.64 0.62 -0.11 0.35 -0.21 0.00 0.00 178.00 179.29 2jkc h PHE 406 N 0.96 -0.26 -0.22 0.65 3.57 -1.94 -0.25 116.94 119.44 2jkc h PHE 406 Ca 0.49 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.90 2jkc h PHE 406 Cb 0.50 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2jkc h PHE 406 CO -0.01 -0.17 -0.37 -1.49 -2.23 0.00 0.00 178.31 174.04 2jkc h TRP 407 N -0.08 0.58 -0.28 0.41 4.06 -1.76 -2.47 115.95 116.41 2jkc h TRP 407 Ca 0.12 -0.16 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 2jkc h TRP 407 Cb 0.27 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 2jkc h TRP 407 CO -0.28 0.80 0.16 -0.07 -3.56 0.00 0.00 178.44 175.49 2jkc h LEU 408 N 0.42 0.35 -1.06 -4.49 3.38 -1.11 -1.35 115.31 111.45 2jkc h LEU 408 Ca 0.04 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2jkc h LEU 408 Cb 0.84 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2jkc h LEU 408 CO 0.07 0.32 0.64 0.00 0.09 0.00 0.00 178.44 179.56 2jkc h ALA 409 N 1.04 1.36 -0.40 1.53 0.00 -1.01 -1.37 119.26 120.42 2jkc h ALA 409 Ca 0.10 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2jkc h ALA 409 Cb 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2jkc h ALA 409 CO -0.02 0.56 -0.09 -0.91 0.00 0.00 0.00 179.25 178.79 2jkc h ASN 410 N 1.24 0.67 -0.04 0.00 2.35 -1.22 0.23 115.58 118.82 2jkc h ASN 410 Ca 0.38 -0.18 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 2jkc h ASN 410 Cb -0.03 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2jkc h ASN 410 CO -0.11 0.80 -0.41 0.03 -1.65 0.00 0.00 177.43 176.09 2jkc h ARG 411 N 0.63 0.56 0.00 0.81 3.08 -0.23 -3.37 114.38 115.86 2jkc h ARG 411 Ca 0.12 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2jkc h ARG 411 Cb 0.52 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 2jkc h ARG 411 CO 0.03 0.87 -1.03 0.72 -1.07 0.00 0.00 179.97 179.49 2jkc n HIS 412 N -4.03 0.00 0.27 3.04 8.25 -0.61 -4.88 115.22 117.26 2jkc n HIS 412 Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 2jkc n HIS 412 Cb 0.52 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.68 2jkc n HIS 412 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2jkc n ASP 413 N -1.87 2.20 -4.83 0.41 8.00 0.80 -5.02 116.55 116.24 2jkc n ASP 413 Ca -0.01 -1.61 -0.33 0.00 0.71 0.00 0.00 54.79 53.55 2jkc n ASP 413 Cb 0.36 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 2jkc n ASP 413 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jkc s LEU 414 N -0.93 4.02 -0.19 0.64 1.43 -1.24 -5.02 118.68 117.39 2jkc s LEU 414 Ca 0.16 1.48 -0.21 0.00 -1.03 0.00 0.00 54.13 54.52 2jkc s LEU 414 Cb 0.10 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 2jkc s LEU 414 CO 0.14 -0.27 0.64 -0.60 0.23 0.00 0.00 176.35 176.49 2jkc s ARG 415 N -3.04 4.23 -0.12 1.70 3.52 -0.73 -5.04 118.95 119.47 2jkc s ARG 415 Ca 0.57 0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 56.79 2jkc s ARG 415 Cb -0.10 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2jkc s ARG 415 CO 0.16 -0.22 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.90 2jkc s LEU 416 N 1.85 3.44 0.72 -0.88 1.02 -1.26 -4.45 118.68 119.11 2jkc s LEU 416 Ca 0.29 0.02 -0.14 0.00 0.02 0.00 0.00 54.13 54.33 2jkc s LEU 416 Cb -0.16 -1.81 0.03 0.00 0.02 0.00 0.00 46.19 44.28 2jkc s LEU 416 CO 0.11 0.28 1.14 -0.94 0.02 0.00 0.00 176.35 176.96 2jkc s SER 417 N -0.32 4.59 0.23 2.29 1.04 -1.26 -4.94 113.70 115.33 2jkc s SER 417 Ca 0.06 2.09 -0.06 0.00 0.48 0.00 0.00 55.95 58.52 2jkc s SER 417 Cb -0.12 -2.56 0.34 0.00 0.10 0.00 0.00 66.02 63.78 2jkc s SER 417 CO 0.02 -1.99 1.81 0.44 0.98 0.00 0.00 173.24 174.51 2jkc h ASP 418 N -0.38 0.65 -0.46 7.02 3.32 -2.00 -2.92 116.42 121.65 2jkc h ASP 418 Ca -0.46 0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.68 2jkc h ASP 418 Cb 1.26 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.67 2jkc h ASP 418 CO 0.51 0.39 0.18 0.00 -1.72 0.00 0.00 179.24 178.61 2jkc h ALA 419 N 1.41 0.56 -0.31 3.45 0.00 -2.00 -2.14 119.26 120.24 2jkc h ALA 419 Ca 0.36 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 2jkc h ALA 419 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jkc h ALA 419 CO -0.22 -0.20 -0.36 0.97 0.00 0.00 0.00 179.25 179.44 2jkc h ILE 420 N 0.37 1.29 -0.85 0.00 6.09 -1.93 -2.23 117.51 120.24 2jkc h ILE 420 Ca 0.21 -1.52 -0.02 0.00 -1.37 0.00 0.00 64.86 62.16 2jkc h ILE 420 Cb 0.19 1.44 -0.04 0.00 0.47 0.00 0.00 36.82 38.88 2jkc h ILE 420 CO -0.20 0.49 0.45 0.11 -3.07 0.00 0.00 178.15 175.93 2jkc h LYS 421 N 0.58 1.20 -0.20 2.19 1.57 -1.33 0.04 116.57 120.62 2jkc h LYS 421 Ca 0.06 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2jkc h LYS 421 Cb 0.89 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2jkc h LYS 421 CO 0.08 0.89 -0.08 1.49 -0.57 0.00 0.00 179.45 181.26 2jkc h GLU 422 N 1.20 0.41 -0.43 3.15 4.81 -1.30 -0.67 114.58 121.75 2jkc h GLU 422 Ca 0.30 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2jkc h GLU 422 Cb 0.05 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2jkc h GLU 422 CO -0.04 0.69 0.27 0.87 -0.73 0.00 0.00 179.01 180.06 2jkc h LYS 423 N 0.12 0.54 -0.72 1.92 1.57 -1.18 -1.63 116.57 117.19 2jkc h LYS 423 Ca 0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jkc h LYS 423 Cb 0.55 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2jkc h LYS 423 CO 0.03 0.35 0.44 0.28 -0.57 0.00 0.00 179.45 179.98 2jkc h VAL 424 N 0.55 1.20 -0.03 0.50 2.07 -0.86 -1.48 116.25 118.21 2jkc h VAL 424 Ca 0.16 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 2jkc h VAL 424 Cb -0.04 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2jkc h VAL 424 CO -0.05 0.21 -0.52 1.56 0.02 0.00 0.00 177.57 178.79 2jkc h GLN 425 N 0.98 0.09 -0.37 1.57 1.08 -0.90 -0.52 115.11 117.04 2jkc h GLN 425 Ca 0.26 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.35 2jkc h GLN 425 Cb -0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2jkc h GLN 425 CO -0.05 0.59 0.01 0.00 -0.95 0.00 0.00 178.83 178.43 2jkc h ARG 426 N 0.07 0.64 0.05 1.46 3.08 -1.04 -2.83 114.38 115.81 2jkc h ARG 426 Ca -0.00 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.87 2jkc h ARG 426 Cb 0.95 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 2jkc h ARG 426 CO 0.07 0.74 -0.24 -0.92 -1.07 0.00 0.00 179.97 178.56 2jkc h TYR 427 N 0.46 -0.63 -0.03 3.04 3.20 -1.03 -1.79 116.97 120.20 2jkc h TYR 427 Ca 0.11 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 2jkc h TYR 427 Cb 0.44 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 2jkc h TYR 427 CO 0.03 -0.33 0.03 0.87 -1.64 0.00 0.00 178.16 177.13 2jkc h LYS 428 N -0.40 0.00 0.00 1.82 1.57 -1.15 0.08 116.57 118.49 2jkc h LYS 428 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jkc h LYS 428 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2jkc h LYS 428 CO -0.18 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.70 2jkc h ALA 429 N 1.97 1.00 0.00 3.86 0.00 -1.21 0.21 119.26 125.09 2jkc h ALA 429 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jkc h ALA 429 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jkc h ALA 429 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2jkc n GLY 430 N 0.64 0.70 3.75 0.00 0.00 0.01 -4.70 105.19 105.59 2jkc n GLY 430 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2jkc n GLY 430 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jkc s LEU 431 N 0.00 4.56 0.49 0.99 1.43 -0.70 -4.47 118.68 120.98 2jkc s LEU 431 Ca 0.00 2.06 -0.22 0.00 -1.03 0.00 0.00 54.13 54.93 2jkc s LEU 431 Cb 0.00 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 2jkc s LEU 431 CO 0.00 -0.05 1.24 -2.16 0.23 0.00 0.00 176.35 175.61 2jkc s PRO 432 N -0.90 3.52 0.00 1.29 0.04 -1.26 -4.13 135.00 133.56 2jkc s PRO 432 Ca 0.45 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2jkc s PRO 432 Cb -0.28 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2jkc s PRO 432 CO 0.35 -0.80 0.00 1.28 0.04 0.00 0.00 177.00 177.87 2jkc n LEU 433 N -0.70 0.00 -4.64 -3.56 4.77 -1.26 -4.94 117.00 106.66 2jkc n LEU 433 Ca 0.08 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.57 2jkc n LEU 433 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 2jkc n LEU 433 CO 0.50 -0.47 1.12 0.41 -1.33 0.00 0.00 177.39 177.61 2jkc n THR 434 N -1.76 0.09 -4.43 -5.08 -1.04 -1.26 -4.34 114.28 96.45 2jkc n THR 434 Ca 0.00 -0.02 -0.26 0.00 -2.04 0.00 0.00 64.05 61.73 2jkc n THR 434 Cb 0.00 -1.25 -0.11 0.00 -1.82 0.00 0.00 70.33 67.15 2jkc n THR 434 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2jkc s THR 435 N 1.32 2.41 0.10 12.58 -4.23 -1.26 0.23 115.64 126.78 2jkc s THR 435 Ca 0.84 -2.10 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 2jkc s THR 435 Cb -0.83 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 2jkc s THR 435 CO 0.46 -0.18 -0.15 0.28 -0.54 0.00 0.00 174.62 174.49 2jkc s THR 436 N -1.85 3.06 -2.77 3.99 -1.32 -1.26 -5.03 115.64 110.47 2jkc s THR 436 Ca 0.23 -1.34 0.24 0.00 -1.21 0.00 0.00 61.69 59.61 2jkc s THR 436 Cb -0.07 -2.39 0.30 0.00 -1.51 0.00 0.00 72.50 68.82 2jkc s THR 436 CO 0.11 0.15 1.34 -1.54 -2.21 0.00 0.00 174.62 172.47 2jkc n SER 437 N 0.91 3.12 -4.85 8.08 3.41 -1.26 -4.89 113.62 118.14 2jkc n SER 437 Ca -0.15 -1.98 -0.32 0.00 -0.26 0.00 0.00 58.87 56.16 2jkc n SER 437 Cb 0.52 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 2jkc n SER 437 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2jkc s PHE 438 N -1.80 3.46 0.87 7.33 2.99 -1.26 -5.08 117.98 124.49 2jkc s PHE 438 Ca 0.33 1.42 -0.13 0.00 0.00 0.00 0.00 56.93 58.55 2jkc s PHE 438 Cb 0.21 -2.79 0.12 0.00 0.00 0.00 0.00 43.02 40.56 2jkc s PHE 438 CO 0.31 -0.53 1.19 0.16 -0.00 0.00 0.00 175.22 176.35 2jkc s ASP 439 N -3.36 3.94 0.17 1.36 3.84 -1.26 -4.86 116.67 116.51 2jkc s ASP 439 Ca 0.58 0.73 -0.16 0.00 -0.00 0.00 0.00 52.55 53.70 2jkc s ASP 439 Cb -0.11 -1.16 0.12 0.00 -1.38 0.00 0.00 42.92 40.40 2jkc s ASP 439 CO 0.38 -2.25 1.66 0.44 -0.00 0.00 0.00 175.17 175.40 2jkc h ASP 440 N -1.30 -0.42 -0.04 2.11 5.19 -1.98 -1.95 116.42 118.04 2jkc h ASP 440 Ca -0.47 0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.09 2jkc h ASP 440 Cb 1.31 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 41.08 2jkc h ASP 440 CO 0.60 -0.15 -0.06 0.28 -3.12 0.00 0.00 179.24 176.79 2jkc h SER 441 N -0.00 -0.18 -0.35 6.45 0.02 -1.96 0.40 113.55 117.93 2jkc h SER 441 Ca 0.21 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 2jkc h SER 441 Cb 0.33 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2jkc h SER 441 CO -0.46 -0.08 0.19 0.74 -1.14 0.00 0.00 176.83 176.08 2jkc h THR 442 N -0.09 1.02 -0.49 -2.27 2.02 -1.91 -2.12 112.91 109.07 2jkc h THR 442 Ca 0.04 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2jkc h THR 442 Cb 0.14 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2jkc h THR 442 CO -0.09 0.07 0.22 0.22 0.37 0.00 0.00 175.52 176.32 2jkc h TYR 443 N 0.40 0.72 0.00 3.16 3.20 -1.11 -1.64 116.97 121.70 2jkc h TYR 443 Ca 0.14 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2jkc h TYR 443 Cb 0.03 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.08 2jkc h TYR 443 CO -0.08 0.58 0.00 0.66 -1.64 0.00 0.00 178.16 177.68 2jkc n TYR 444 N -4.60 0.00 0.21 -3.82 4.01 0.11 -2.99 117.16 110.08 2jkc n TYR 444 Ca 0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 2jkc n TYR 444 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.14 2jkc n TYR 444 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2jkc n GLU 445 N -0.92 4.81 -3.59 -0.72 1.02 -0.79 -4.74 120.64 115.71 2jkc n GLU 445 Ca 0.16 -0.10 -0.36 0.00 -0.02 0.00 0.00 57.16 56.85 2jkc n GLU 445 Cb 0.07 -0.76 -0.06 0.00 -0.02 0.00 0.00 31.44 30.68 2jkc n GLU 445 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jkc n THR 446 N -0.94 3.09 -0.23 2.62 -1.04 -0.69 -4.97 114.28 112.13 2jkc n THR 446 Ca 0.01 -5.17 0.01 0.00 -2.04 0.00 0.00 64.05 56.86 2jkc n THR 446 Cb 0.08 -2.34 0.24 0.00 -1.82 0.00 0.00 70.33 66.49 2jkc n THR 446 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2jkc h PHE 447 N 5.79 0.96 0.00 -1.42 3.57 -1.88 -0.67 116.94 123.29 2jkc h PHE 447 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2jkc h PHE 447 Cb 0.78 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 2jkc h PHE 447 CO 0.74 0.60 -0.05 -0.44 -2.23 0.00 0.00 178.31 176.93 2jkc h ASP 448 N 1.03 0.00 0.22 0.41 3.32 -1.96 0.47 116.42 119.91 2jkc h ASP 448 Ca 0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2jkc h ASP 448 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2jkc h ASP 448 CO -0.07 0.05 -0.10 0.22 -1.72 0.00 0.00 179.24 177.62 2jkc h TYR 449 N 0.00 -0.27 -0.79 4.55 3.20 -1.55 -3.29 116.97 118.82 2jkc h TYR 449 Ca -0.00 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.03 2jkc h TYR 449 Cb 0.08 0.09 -0.11 0.00 1.54 0.00 0.00 36.73 38.34 2jkc h TYR 449 CO 0.00 -0.17 0.30 1.49 -1.64 0.00 0.00 178.16 178.14 2jkc h GLU 450 N -0.90 0.38 -0.65 1.82 4.81 -1.11 0.58 114.58 119.52 2jkc h GLU 450 Ca -0.03 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.30 2jkc h GLU 450 Cb 0.22 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.43 2jkc h GLU 450 CO 0.05 0.25 0.17 0.35 -0.73 0.00 0.00 179.01 179.10 2jkc h PHE 451 N 0.39 0.27 0.00 0.92 3.57 -0.21 -1.29 116.94 120.60 2jkc h PHE 451 Ca 0.46 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.75 2jkc h PHE 451 Cb 0.76 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2jkc h PHE 451 CO -0.18 -0.02 -1.33 0.87 -2.23 0.00 0.00 178.31 175.42 2jkc h LYS 452 N 0.30 0.00 -2.03 1.11 1.79 -1.49 -3.37 116.57 112.87 2jkc h LYS 452 Ca 0.35 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 58.11 2jkc h LYS 452 Cb 0.52 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 30.84 2jkc h LYS 452 CO -0.42 0.73 0.30 0.09 -1.08 0.00 0.00 179.45 179.08 2jkc n ASN 453 N -3.19 6.22 0.02 0.86 3.02 0.15 -4.87 115.26 117.46 2jkc n ASN 453 Ca -0.08 -3.74 -0.19 0.00 -0.03 0.00 0.00 54.58 50.54 2jkc n ASN 453 Cb 0.99 -0.86 -0.10 0.00 -0.61 0.00 0.00 39.78 39.20 2jkc n ASN 453 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2jkc h PHE 454 N 3.25 0.90 -3.58 3.10 3.57 -1.41 -3.42 116.94 119.36 2jkc h PHE 454 Ca 0.41 -0.48 -0.65 0.00 3.53 0.00 0.00 57.97 60.78 2jkc h PHE 454 Cb 0.40 -0.11 -0.23 0.00 2.79 0.00 0.00 35.95 38.80 2jkc h PHE 454 CO 1.07 1.31 -0.64 -1.58 -2.23 0.00 0.00 178.31 176.24 2jkc s TRP 455 N -3.33 3.06 0.42 0.41 0.52 -1.26 -5.06 118.94 113.69 2jkc s TRP 455 Ca -0.11 -0.51 0.08 0.00 0.02 0.00 0.00 56.10 55.57 2jkc s TRP 455 Cb 0.06 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 30.15 2jkc s TRP 455 CO 0.89 -0.38 0.34 -0.51 0.02 0.00 0.00 176.95 177.31 2jkc s LEU 456 N 1.53 3.34 0.29 2.99 1.43 -1.26 -4.75 118.68 122.25 2jkc s LEU 456 Ca 0.06 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 2jkc s LEU 456 Cb -0.15 -1.93 0.67 0.00 0.03 0.00 0.00 46.19 44.81 2jkc s LEU 456 CO 0.02 -0.63 1.58 -1.13 0.23 0.00 0.00 176.35 176.43 2jkc h ASN 457 N 1.11 -0.48 0.14 2.29 -1.24 -0.42 -0.93 115.58 116.06 2jkc h ASN 457 Ca -0.42 0.26 -0.06 0.00 0.71 0.00 0.00 56.30 56.80 2jkc h ASN 457 Cb 1.26 0.47 -0.01 0.00 0.73 0.00 0.00 38.32 40.77 2jkc h ASN 457 CO 0.60 -0.31 -0.23 1.23 -1.29 0.00 0.00 177.43 177.43 2jkc h GLY 458 N 0.03 0.18 0.74 1.57 0.00 -1.94 0.34 103.07 103.98 2jkc h GLY 458 Ca 0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 2jkc h GLY 458 CO -0.88 0.11 -0.03 3.43 0.00 0.00 0.00 176.54 179.18 2jkc h ASN 459 N 0.15 -0.06 -0.63 0.19 4.21 -1.53 -1.63 115.58 116.29 2jkc h ASN 459 Ca 0.03 -0.24 -0.03 0.00 1.21 0.00 0.00 56.30 57.26 2jkc h ASN 459 Cb 0.49 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.68 2jkc h ASN 459 CO 0.03 0.21 0.26 1.88 -1.29 0.00 0.00 177.43 178.53 2jkc h TYR 460 N -0.34 0.95 0.00 1.19 0.05 -1.28 -2.80 116.97 114.73 2jkc h TYR 460 Ca -0.01 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.71 2jkc h TYR 460 Cb 0.30 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 2jkc h TYR 460 CO 0.01 0.74 -0.00 1.88 -1.05 0.00 0.00 178.16 179.74 2jkc h TYR 461 N 0.88 -0.01 -0.69 4.88 -1.99 -0.97 0.16 116.97 119.25 2jkc h TYR 461 Ca 0.21 0.00 0.15 0.00 2.00 0.00 0.00 58.73 61.09 2jkc h TYR 461 Cb 0.18 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.80 2jkc h TYR 461 CO 0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 178.16 178.12 2jkc h ILE 463 N 0.08 1.24 -0.16 0.00 1.08 -1.33 -2.05 117.51 116.38 2jkc h ILE 463 Ca 0.36 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 2jkc h ILE 463 Cb 0.59 2.07 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 2jkc h ILE 463 CO -0.63 0.32 0.05 -0.26 -0.69 0.00 0.00 178.15 176.94 2jkc h PHE 464 N -0.71 0.25 -0.41 1.37 0.04 -0.75 -0.88 116.94 115.85 2jkc h PHE 464 Ca -0.01 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.62 2jkc h PHE 464 Cb 0.59 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 2jkc h PHE 464 CO 0.12 0.37 -0.22 0.00 -0.60 0.00 0.00 178.31 177.98 2jkc h ALA 465 N 0.86 0.84 -0.73 2.45 0.00 -0.89 -0.50 119.26 121.29 2jkc h ALA 465 Ca 0.05 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.70 2jkc h ALA 465 Cb 0.23 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2jkc h ALA 465 CO -0.00 0.64 0.33 0.78 0.00 0.00 0.00 179.25 181.00 2jkc h GLY 466 N 0.95 1.09 0.44 0.00 0.00 -1.14 -2.11 103.07 102.31 2jkc h GLY 466 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2jkc h GLY 466 CO 0.06 -0.01 -0.03 1.04 0.00 0.00 0.00 176.54 177.59 2jkc n LEU 467 N -4.92 0.67 0.00 3.11 4.77 -0.35 -4.79 117.00 115.48 2jkc n LEU 467 Ca 0.12 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2jkc n LEU 467 Cb 0.33 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2jkc n LEU 467 CO 0.22 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2jkc n GLY 468 N 1.14 0.44 3.44 -0.72 0.00 -0.79 -4.64 105.19 104.07 2jkc n GLY 468 Ca 0.19 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2jkc n GLY 468 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jkc s MET 469 N -1.70 3.03 0.28 1.61 0.00 -0.25 -5.01 119.30 117.26 2jkc s MET 469 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 55.69 54.81 2jkc s MET 469 Cb 0.00 -3.85 -0.04 0.00 0.00 0.00 0.00 34.83 30.94 2jkc s MET 469 CO 0.00 -0.67 0.12 -0.51 0.00 0.00 0.00 175.02 173.96 2jkc s LEU 470 N 1.64 3.46 0.89 4.11 1.43 -1.26 -3.91 118.68 125.04 2jkc s LEU 470 Ca 0.04 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.50 2jkc s LEU 470 Cb -0.19 -1.99 0.06 0.00 0.03 0.00 0.00 46.19 44.11 2jkc s LEU 470 CO 0.09 -0.09 0.73 -2.65 0.23 0.00 0.00 176.35 174.66 2jkc n PRO 471 N -1.08 -0.16 0.30 1.29 -0.02 -1.26 -4.90 135.00 129.18 2jkc n PRO 471 Ca -0.06 0.01 0.16 0.00 -2.02 0.00 0.00 63.50 61.59 2jkc n PRO 471 Cb 0.59 -2.07 0.95 0.00 -0.02 0.00 0.00 33.50 32.95 2jkc n PRO 471 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jkc h ASP 472 N -1.35 0.00 -3.80 2.55 3.32 -1.24 -3.46 116.42 112.44 2jkc h ASP 472 Ca -0.44 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 2jkc h ASP 472 Cb 1.29 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.61 2jkc h ASP 472 CO 0.39 0.00 0.27 -0.60 -1.72 0.00 0.00 179.24 177.58 2jkc s ARG 473 N -4.55 0.73 0.85 3.56 3.52 -1.26 -5.11 118.95 116.68 2jkc s ARG 473 Ca -0.05 0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 56.20 2jkc s ARG 473 Cb 0.15 0.35 0.10 0.00 -1.56 0.00 0.00 34.95 33.99 2jkc s ARG 473 CO 0.53 -0.11 1.09 -1.54 -0.81 0.00 0.00 175.30 174.46 2jkc s SER 474 N 0.13 3.89 -0.06 -2.12 1.04 -1.26 -4.24 113.70 111.09 2jkc s SER 474 Ca 0.00 1.60 -0.30 0.00 0.48 0.00 0.00 55.95 57.73 2jkc s SER 474 Cb -0.04 -2.29 -0.08 0.00 0.10 0.00 0.00 66.02 63.71 2jkc s SER 474 CO -0.01 -2.39 2.05 -0.11 0.98 0.00 0.00 173.24 173.77 2jkc n LEU 475 N -3.73 3.81 -0.33 2.42 7.94 -1.26 -4.89 117.00 120.96 2jkc n LEU 475 Ca 0.08 0.68 0.20 0.00 -1.11 0.00 0.00 56.01 55.86 2jkc n LEU 475 Cb 0.54 -1.52 0.46 0.00 0.53 0.00 0.00 43.42 43.44 2jkc n LEU 475 CO 0.55 -0.11 1.21 -0.65 -1.11 0.00 0.00 177.39 177.27 2jkc h PRO 476 N 11.98 0.46 -0.93 1.96 0.11 -1.92 -1.82 132.00 141.84 2jkc h PRO 476 Ca -0.47 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 65.86 2jkc h PRO 476 Cb 1.24 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2jkc h PRO 476 CO 0.95 0.30 0.63 1.25 -0.21 0.00 0.00 178.00 180.93 2jkc h LEU 477 N 0.47 0.23 -1.84 2.35 5.85 -2.02 -2.26 115.31 118.08 2jkc h LEU 477 Ca 0.60 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.33 2jkc h LEU 477 Cb 1.37 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2jkc h LEU 477 CO -0.33 0.08 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.69 2jkc h LEU 478 N 0.22 0.00 -0.35 2.25 3.38 -1.70 -1.04 115.31 118.08 2jkc h LEU 478 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2jkc h LEU 478 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2jkc h LEU 478 CO -0.11 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.50 2jkc n GLN 479 N -3.35 0.08 0.00 1.13 1.13 -0.85 -2.17 117.38 113.35 2jkc n GLN 479 Ca -0.01 0.35 0.09 0.00 -1.94 0.00 0.00 57.00 55.50 2jkc n GLN 479 Cb 0.26 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 2jkc n GLN 479 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2jkc n HIS 480 N -1.83 0.00 -2.99 1.08 8.25 -0.40 -4.78 115.22 114.55 2jkc n HIS 480 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.23 2jkc n HIS 480 Cb 0.18 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 2jkc n HIS 480 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jkc n ARG 481 N -0.39 2.87 -0.14 -0.41 5.12 -0.92 -4.92 116.66 117.87 2jkc n ARG 481 Ca 0.07 -4.63 0.00 0.00 -1.93 0.00 0.00 57.85 51.36 2jkc n ARG 481 Cb 0.38 -2.15 0.27 0.00 -1.16 0.00 0.00 32.46 29.79 2jkc n ARG 481 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2jkc h PRO 482 N 3.02 0.83 -0.86 5.56 0.13 -1.87 -2.62 132.00 136.19 2jkc h PRO 482 Ca 0.13 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2jkc h PRO 482 Cb 0.58 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.50 2jkc h PRO 482 CO 0.77 0.62 0.49 0.93 -0.23 0.00 0.00 178.00 180.58 2jkc h GLU 483 N 0.83 1.18 -0.51 0.86 5.08 -1.95 -2.31 114.58 117.76 2jkc h GLU 483 Ca 0.21 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2jkc h GLU 483 Cb 0.04 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2jkc h GLU 483 CO -0.03 0.84 0.03 0.77 -1.00 0.00 0.00 179.01 179.62 2jkc h SER 484 N 1.19 0.79 -0.77 1.42 0.02 -1.92 -1.26 113.55 113.02 2jkc h SER 484 Ca 0.30 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2jkc h SER 484 Cb -0.01 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 2jkc h SER 484 CO -0.05 0.84 0.29 0.40 -1.14 0.00 0.00 176.83 177.17 2jkc h ILE 485 N 0.78 1.26 -0.14 3.27 2.04 -1.19 -0.14 117.51 123.39 2jkc h ILE 485 Ca 0.15 -0.85 -0.17 0.00 1.00 0.00 0.00 64.86 65.00 2jkc h ILE 485 Cb 0.43 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2jkc h ILE 485 CO 0.02 0.34 -0.63 -0.33 0.00 0.00 0.00 178.15 177.55 2jkc h GLU 486 N 1.14 0.51 -0.17 2.37 4.39 -1.21 -2.28 114.58 119.32 2jkc h GLU 486 Ca 0.26 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 2jkc h GLU 486 Cb 0.24 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2jkc h GLU 486 CO -0.02 0.98 -0.30 -0.22 -1.16 0.00 0.00 179.01 178.29 2jkc h LYS 487 N 0.37 0.33 -0.42 2.33 3.64 -1.01 -2.76 116.57 119.05 2jkc h LYS 487 Ca -0.01 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 2jkc h LYS 487 Cb 1.19 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2jkc h LYS 487 CO 0.12 0.60 -0.20 0.00 -2.27 0.00 0.00 179.45 177.70 2jkc h ALA 488 N 1.40 0.85 -0.91 5.00 0.00 -0.90 -2.60 119.26 122.11 2jkc h ALA 488 Ca 0.04 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.64 2jkc h ALA 488 Cb 0.68 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2jkc h ALA 488 CO 0.05 0.64 0.57 0.93 0.00 0.00 0.00 179.25 181.44 2jkc h GLU 489 N 0.73 1.02 -0.89 0.00 4.39 -1.22 0.23 114.58 118.84 2jkc h GLU 489 Ca 0.10 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.77 2jkc h GLU 489 Cb 0.72 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 2jkc h GLU 489 CO 0.06 0.68 0.58 0.00 -1.16 0.00 0.00 179.01 179.17 2jkc h ALA 490 N 1.41 1.17 -0.47 3.43 0.00 -1.34 -0.78 119.26 122.68 2jkc h ALA 490 Ca 0.39 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 2jkc h ALA 490 Cb 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jkc h ALA 490 CO -0.16 0.46 -0.21 0.52 0.00 0.00 0.00 179.25 179.85 2jkc h MET 491 N 1.14 0.97 -0.87 0.00 2.86 -0.93 -1.28 114.93 116.82 2jkc h MET 491 Ca 0.35 -0.42 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2jkc h MET 491 Cb -0.03 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 2jkc h MET 491 CO -0.11 1.09 0.58 0.74 1.06 0.00 0.00 176.91 180.27 2jkc h PHE 492 N 0.82 1.09 -0.84 -0.22 0.04 -0.77 -2.15 116.94 114.92 2jkc h PHE 492 Ca 0.11 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2jkc h PHE 492 Cb 0.79 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 2jkc h PHE 492 CO 0.05 0.68 0.54 0.00 -0.60 0.00 0.00 178.31 178.98 2jkc h ALA 493 N 1.32 1.07 -0.39 2.45 0.00 -0.94 -2.46 119.26 120.31 2jkc h ALA 493 Ca 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jkc h ALA 493 Cb -0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 2jkc h ALA 493 CO -0.07 0.50 0.25 0.77 0.00 0.00 0.00 179.25 180.70 2jkc h SER 494 N 1.15 0.46 -0.63 0.00 0.02 -0.87 -1.99 113.55 111.69 2jkc h SER 494 Ca 0.31 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2jkc h SER 494 Cb -0.10 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 2jkc h SER 494 CO -0.06 0.36 0.38 0.40 -1.14 0.00 0.00 176.83 176.77 2jkc h ILE 495 N 0.53 1.06 -0.67 3.27 2.04 -1.34 -0.83 117.51 121.56 2jkc h ILE 495 Ca 0.14 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 2jkc h ILE 495 Cb -0.03 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 2jkc h ILE 495 CO -0.03 0.14 0.24 -0.09 0.00 0.00 0.00 178.15 178.41 2jkc h ARG 496 N 0.75 1.01 -0.56 2.37 2.43 -1.34 0.48 114.38 119.52 2jkc h ARG 496 Ca 0.26 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2jkc h ARG 496 Cb 0.05 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2jkc h ARG 496 CO -0.12 0.86 0.34 0.00 -1.51 0.00 0.00 179.97 179.55 2jkc h ARG 497 N 0.95 0.75 -0.52 0.20 3.08 -0.85 -2.05 114.38 115.95 2jkc h ARG 497 Ca 0.22 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2jkc h ARG 497 Cb 0.25 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2jkc h ARG 497 CO -0.01 0.54 0.20 1.49 -1.07 0.00 0.00 179.97 181.12 2jkc h GLU 498 N 0.75 0.79 -0.59 0.04 4.81 -0.84 -1.17 114.58 118.37 2jkc h GLU 498 Ca 0.20 -0.15 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2jkc h GLU 498 Cb -0.03 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.15 2jkc h GLU 498 CO -0.04 0.70 0.18 0.00 -0.73 0.00 0.00 179.01 179.12 2jkc h ALA 499 N 1.05 0.74 -0.61 2.92 0.00 -0.77 -0.42 119.26 122.18 2jkc h ALA 499 Ca 0.17 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2jkc h ALA 499 Cb 0.21 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jkc h ALA 499 CO -0.01 -0.25 0.01 1.49 0.00 0.00 0.00 179.25 180.50 2jkc h GLU 500 N 0.34 1.06 0.04 0.00 4.57 -1.14 -2.18 114.58 117.27 2jkc h GLU 500 Ca 0.30 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2jkc h GLU 500 Cb 0.41 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2jkc h GLU 500 CO -0.34 1.03 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.41 2jkc h ARG 501 N 0.96 -0.06 -0.92 1.92 2.43 -0.76 -2.91 114.38 115.04 2jkc h ARG 501 Ca 0.17 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 2jkc h ARG 501 Cb 0.54 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.03 2jkc h ARG 501 CO 0.03 0.04 0.57 -0.07 -1.51 0.00 0.00 179.97 179.02 2jkc h LEU 502 N -0.14 0.85 -0.78 3.80 3.38 -1.04 -1.67 115.31 119.72 2jkc h LEU 502 Ca -0.01 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.14 2jkc h LEU 502 Cb 0.12 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 2jkc h LEU 502 CO 0.01 0.50 0.35 -0.09 0.09 0.00 0.00 178.44 179.30 2jkc h ARG 503 N 0.96 0.51 -0.02 1.13 2.43 -1.20 -0.85 114.38 117.35 2jkc h ARG 503 Ca 0.43 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2jkc h ARG 503 Cb 0.33 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2jkc h ARG 503 CO -0.23 0.34 -0.21 0.25 -1.51 0.00 0.00 179.97 178.61 2jkc n THR 504 N -4.94 0.00 -0.04 0.20 -2.24 -0.89 -4.48 114.28 101.89 2jkc n THR 504 Ca 0.15 -0.34 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 2jkc n THR 504 Cb 0.40 1.19 -0.04 0.00 -2.10 0.00 0.00 70.33 69.78 2jkc n THR 504 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jkc n SER 505 N 0.49 3.40 -4.76 3.42 7.64 -0.68 -5.02 113.62 118.10 2jkc n SER 505 Ca 0.12 -0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.59 2jkc n SER 505 Cb 0.50 0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.89 2jkc n SER 505 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jkc s LEU 506 N -5.01 4.51 0.77 -3.43 1.43 -0.35 -4.75 118.68 111.85 2jkc s LEU 506 Ca -0.07 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 2jkc s LEU 506 Cb 0.02 -3.72 0.05 0.00 0.03 0.00 0.00 46.19 42.58 2jkc s LEU 506 CO 0.22 -0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 2jkc s PRO 507 N -1.56 2.34 0.72 1.29 0.04 -1.26 -4.88 135.00 131.69 2jkc s PRO 507 Ca 0.46 0.62 -0.14 0.00 0.04 0.00 0.00 61.00 61.98 2jkc s PRO 507 Cb -0.29 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.34 2jkc s PRO 507 CO 0.37 -1.44 1.16 0.95 0.04 0.00 0.00 177.00 178.08 2jkc s THR 508 N -3.20 2.66 0.15 1.26 -4.23 -1.26 -0.95 115.64 110.07 2jkc s THR 508 Ca 0.60 0.30 -0.16 0.00 -1.18 0.00 0.00 61.69 61.25 2jkc s THR 508 Cb -0.14 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.91 2jkc s THR 508 CO 0.54 -0.19 1.79 -1.13 -0.54 0.00 0.00 174.62 175.08 2jkc h ASN 509 N -0.36 0.33 -0.03 3.99 -1.24 -1.02 -1.46 115.58 115.79 2jkc h ASN 509 Ca -0.47 0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.56 2jkc h ASN 509 Cb 1.27 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 40.23 2jkc h ASN 509 CO 0.51 0.24 -0.32 0.22 -1.29 0.00 0.00 177.43 176.78 2jkc h TYR 510 N 0.43 -0.96 -0.73 0.67 3.20 -1.78 -0.24 116.97 117.56 2jkc h TYR 510 Ca 0.15 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.16 2jkc h TYR 510 Cb 0.02 0.42 -0.08 0.00 1.54 0.00 0.00 36.73 38.64 2jkc h TYR 510 CO -0.08 -0.34 0.35 -0.44 -1.64 0.00 0.00 178.16 176.01 2jkc h ASP 511 N -0.39 0.43 -0.29 -2.11 3.32 -1.93 -1.16 116.42 114.29 2jkc h ASP 511 Ca 0.01 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2jkc h ASP 511 Cb 0.43 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2jkc h ASP 511 CO -0.23 0.23 0.15 0.22 -1.72 0.00 0.00 179.24 177.89 2jkc h TYR 512 N 0.57 0.41 -0.50 4.55 3.20 -1.05 -1.19 116.97 122.96 2jkc h TYR 512 Ca 0.37 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.26 2jkc h TYR 512 Cb 0.45 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 2jkc h TYR 512 CO -0.12 0.35 0.28 -0.07 -1.64 0.00 0.00 178.16 176.96 2jkc h LEU 513 N 0.34 0.43 -1.38 2.82 3.38 -0.70 -1.37 115.31 118.84 2jkc h LEU 513 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2jkc h LEU 513 Cb 0.09 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2jkc h LEU 513 CO -0.01 0.30 0.27 0.03 0.09 0.00 0.00 178.44 179.12 2jkc h ARG 514 N 0.55 0.70 -0.04 1.13 3.08 -1.09 -0.95 114.38 117.76 2jkc h ARG 514 Ca 0.21 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.06 2jkc h ARG 514 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2jkc h ARG 514 CO -0.12 0.52 -0.56 0.66 -1.07 0.00 0.00 179.97 179.40 2jkc h SER 515 N 0.70 0.14 0.43 7.04 4.64 -0.45 -3.15 113.55 122.91 2jkc h SER 515 Ca 0.18 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 2jkc h SER 515 Cb 0.03 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2jkc h SER 515 CO -0.03 0.67 -0.21 -0.07 -0.87 0.00 0.00 176.83 176.32 2jkc h LEU 516 N 0.10 -0.49 0.00 5.97 3.38 -0.84 -3.51 115.31 119.91 2jkc h LEU 516 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jkc h LEU 516 Cb 1.02 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2jkc h LEU 516 CO 0.08 -0.10 0.00 -1.14 0.09 0.00 0.00 178.44 177.37