#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjk n VAL 10 N 0.00 2.10 -4.20 2.53 3.14 -1.26 -5.03 118.33 115.60 2jjk n VAL 10 Ca 0.00 -0.50 -0.16 0.00 -2.96 0.00 0.00 64.34 60.72 2jjk n VAL 10 Cb 0.00 -0.95 -0.14 0.00 -1.06 0.00 0.00 33.84 31.69 2jjk n VAL 10 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2jjk s ASN 11 N -0.68 0.86 0.26 6.55 3.84 -1.26 -5.07 114.94 119.42 2jjk s ASN 11 Ca 0.61 -0.24 0.10 0.00 0.21 0.00 0.00 52.86 53.54 2jjk s ASN 11 Cb -0.65 -0.06 -0.05 0.00 -0.55 0.00 0.00 41.25 39.95 2jjk s ASN 11 CO 0.59 0.01 -0.09 0.42 -2.79 0.00 0.00 177.10 175.24 2jjk s THR 12 N -0.48 3.05 0.19 -5.21 -4.23 -1.26 -1.20 115.64 106.51 2jjk s THR 12 Ca -0.00 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.35 2jjk s THR 12 Cb -0.05 -2.60 0.11 0.00 1.34 0.00 0.00 72.50 71.31 2jjk s THR 12 CO 0.00 -0.34 1.75 0.25 -0.54 0.00 0.00 174.62 175.74 2jjk h LEU 13 N 2.20 0.22 -0.43 4.79 5.85 -1.58 0.38 115.31 126.75 2jjk h LEU 13 Ca -0.43 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.44 2jjk h LEU 13 Cb 1.25 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.23 2jjk h LEU 13 CO 0.59 0.14 -0.18 0.74 -0.34 0.00 0.00 178.44 179.39 2jjk h THR 14 N 0.39 0.43 -0.12 1.05 2.02 -1.96 -1.13 112.91 113.59 2jjk h THR 14 Ca 0.27 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.29 2jjk h THR 14 Cb 0.29 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2jjk h THR 14 CO -0.26 0.00 -0.55 -0.09 0.37 0.00 0.00 175.52 174.99 2jjk h ARG 15 N -0.10 0.59 -0.22 6.66 2.43 -1.83 -2.78 114.38 119.14 2jjk h ARG 15 Ca 0.21 -0.47 0.04 0.00 -0.81 0.00 0.00 59.98 58.94 2jjk h ARG 15 Cb 0.41 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2jjk h ARG 15 CO -0.49 1.09 -0.00 0.35 -1.51 0.00 0.00 179.97 179.41 2jjk h PHE 16 N 0.22 -0.02 -0.03 2.20 3.57 0.01 -1.11 116.94 121.78 2jjk h PHE 16 Ca -0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jjk h PHE 16 Cb 1.19 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 2jjk h PHE 16 CO 0.11 -0.04 0.00 0.28 -2.23 0.00 0.00 178.31 176.43 2jjk h VAL 17 N 0.06 1.23 -0.75 1.41 2.07 -1.28 -1.47 116.25 117.52 2jjk h VAL 17 Ca 0.10 -0.70 0.09 0.00 0.82 0.00 0.00 66.70 67.02 2jjk h VAL 17 Cb 0.13 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 2jjk h VAL 17 CO -0.18 0.19 0.49 -0.03 0.02 0.00 0.00 177.57 178.06 2jjk h MET 18 N -0.22 0.65 0.00 1.57 1.85 -1.38 -0.89 114.93 116.52 2jjk h MET 18 Ca 0.01 -0.04 -0.14 0.00 -0.61 0.00 0.00 59.70 58.92 2jjk h MET 18 Cb 0.30 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.16 2jjk h MET 18 CO 0.00 0.43 -0.68 1.49 -0.40 0.00 0.00 176.91 177.75 2jjk h GLU 19 N 0.67 0.00 -0.26 0.39 4.57 -0.84 -2.11 114.58 117.01 2jjk h GLU 19 Ca 0.35 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.33 2jjk h GLU 19 Cb 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2jjk h GLU 19 CO -0.13 0.68 -0.61 0.93 -1.18 0.00 0.00 179.01 178.71 2jjk h GLU 20 N 0.00 0.86 -0.53 1.92 4.39 -0.18 -2.79 114.58 118.25 2jjk h GLU 20 Ca -0.01 -0.58 -0.03 0.00 0.34 0.00 0.00 59.36 59.08 2jjk h GLU 20 Cb 1.35 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.06 2jjk h GLU 20 CO 0.09 1.21 0.20 0.78 -1.16 0.00 0.00 179.01 180.13 2jjk h GLY 21 N 0.66 0.82 1.46 -3.84 0.00 -1.17 -1.96 103.07 99.04 2jjk h GLY 21 Ca -0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 2jjk h GLY 21 CO 0.13 0.39 -0.64 3.21 0.00 0.00 0.00 176.54 179.64 2jjk h ARG 22 N 0.75 0.55 0.00 4.80 3.08 -1.39 0.27 114.38 122.43 2jjk h ARG 22 Ca 0.18 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 2jjk h ARG 22 Cb 0.17 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2jjk h ARG 22 CO -0.02 1.01 -0.17 0.87 -1.07 0.00 0.00 179.97 180.59 2jjk h LYS 23 N 0.40 0.00 -0.00 0.04 1.57 -1.19 -2.33 116.57 115.05 2jjk h LYS 23 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jjk h LYS 23 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2jjk h LYS 23 CO 0.12 0.17 -0.56 0.00 -0.57 0.00 0.00 179.45 178.61 2jjk n ALA 24 N -2.48 3.71 -2.45 3.86 0.00 -0.77 -4.95 120.51 117.43 2jjk n ALA 24 Ca -0.02 -0.42 -0.20 0.00 0.00 0.00 0.00 53.44 52.80 2jjk n ALA 24 Cb 0.24 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 2jjk n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jjk n ARG 25 N -1.30 -1.98 -1.22 0.00 1.74 -0.62 -4.99 116.66 108.29 2jjk n ARG 25 Ca 0.06 0.94 -0.31 0.00 -0.77 0.00 0.00 57.85 57.77 2jjk n ARG 25 Cb 0.34 -5.55 0.10 0.00 -1.02 0.00 0.00 32.46 26.33 2jjk n ARG 25 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jjk s GLY 26 N -2.19 1.77 0.00 -0.13 0.00 -0.01 -4.95 107.32 101.81 2jjk s GLY 26 Ca 0.04 0.40 0.30 0.00 0.00 0.00 0.00 44.72 45.45 2jjk s GLY 26 CO 0.05 0.76 1.98 -1.30 0.00 0.00 0.00 173.10 174.59 2jjk n THR 27 N -3.49 0.00 0.00 0.90 -2.24 -1.26 -4.83 114.28 103.36 2jjk n THR 27 Ca 0.10 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2jjk n THR 27 Cb 0.53 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2jjk n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjk n GLY 28 N 1.34 0.41 0.30 3.38 0.00 -1.26 -4.98 105.19 104.37 2jjk n GLY 28 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2jjk n GLY 28 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jjk h GLU 29 N 3.03 1.03 -0.75 1.61 4.81 -1.98 -1.26 114.58 121.07 2jjk h GLU 29 Ca 0.00 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 2jjk h GLU 29 Cb 0.00 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2jjk h GLU 29 CO 0.00 0.97 0.24 1.25 -0.73 0.00 0.00 179.01 180.74 2jjk h LEU 30 N 0.93 1.08 -0.74 1.64 5.85 -1.94 -0.87 115.31 121.27 2jjk h LEU 30 Ca 0.18 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2jjk h LEU 30 Cb 0.46 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2jjk h LEU 30 CO 0.02 1.00 0.46 0.74 -0.34 0.00 0.00 178.44 180.32 2jjk h THR 31 N 1.11 1.08 -0.60 1.05 2.02 -1.79 0.17 112.91 115.94 2jjk h THR 31 Ca 0.24 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 2jjk h THR 31 Cb 0.30 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2jjk h THR 31 CO -0.01 0.16 0.08 1.56 0.37 0.00 0.00 175.52 177.68 2jjk h GLN 32 N 0.89 1.01 0.29 6.66 1.08 -0.76 0.15 115.11 124.44 2jjk h GLN 32 Ca 0.30 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2jjk h GLN 32 Cb 0.05 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 2jjk h GLN 32 CO -0.13 0.96 -0.33 1.25 -0.95 0.00 0.00 178.83 179.63 2jjk h LEU 33 N 0.92 -0.91 -1.00 1.46 5.85 -0.55 -1.73 115.31 119.35 2jjk h LEU 33 Ca 0.18 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 2jjk h LEU 33 Cb 0.45 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2jjk h LEU 33 CO 0.02 -0.46 0.02 -0.07 -0.34 0.00 0.00 178.44 177.61 2jjk h LEU 34 N -0.67 0.71 -1.11 2.25 3.38 -0.40 -0.86 115.31 118.61 2jjk h LEU 34 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2jjk h LEU 34 Cb 0.62 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2jjk h LEU 34 CO -0.09 0.76 0.49 0.78 0.09 0.00 0.00 178.44 180.47 2jjk h ASN 35 N 0.70 0.97 -0.29 -0.43 2.35 -0.65 0.14 115.58 118.37 2jjk h ASN 35 Ca 0.14 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2jjk h ASN 35 Cb 0.40 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2jjk h ASN 35 CO 0.01 0.75 -0.18 0.28 -1.65 0.00 0.00 177.43 176.64 2jjk h SER 36 N 1.12 0.67 -0.07 5.81 0.02 -0.49 -1.74 113.55 118.86 2jjk h SER 36 Ca 0.29 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2jjk h SER 36 Cb -0.04 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 2jjk h SER 36 CO -0.05 0.95 0.03 0.25 -1.14 0.00 0.00 176.83 176.87 2jjk h LEU 37 N 0.39 0.09 -0.68 5.07 5.85 -0.93 -2.03 115.31 123.07 2jjk h LEU 37 Ca 0.06 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.78 2jjk h LEU 37 Cb 0.72 -0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.60 2jjk h LEU 37 CO 0.05 0.18 -0.38 0.00 -0.34 0.00 0.00 178.44 177.95 2jjk h THR 39 N -0.14 1.04 -0.60 0.00 2.02 -1.13 -1.87 112.91 112.22 2jjk h THR 39 Ca 0.24 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 2jjk h THR 39 Cb 0.56 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2jjk h THR 39 CO -0.75 0.14 0.27 0.00 0.37 0.00 0.00 175.52 175.56 2jjk h ALA 40 N 1.33 0.77 -0.65 6.16 0.00 -0.51 -2.24 119.26 124.11 2jjk h ALA 40 Ca 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2jjk h ALA 40 Cb 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2jjk h ALA 40 CO -0.14 0.35 0.27 0.28 0.00 0.00 0.00 179.25 180.01 2jjk h VAL 41 N 0.82 1.24 -0.38 0.00 2.07 -0.35 0.12 116.25 119.77 2jjk h VAL 41 Ca 0.20 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 2jjk h VAL 41 Cb 0.14 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2jjk h VAL 41 CO -0.02 0.29 -0.05 0.11 0.02 0.00 0.00 177.57 177.92 2jjk h LYS 42 N 0.92 0.62 -0.15 1.57 1.57 -1.16 0.12 116.57 120.06 2jjk h LYS 42 Ca 0.22 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2jjk h LYS 42 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2jjk h LYS 42 CO -0.02 0.68 -0.49 0.00 -0.57 0.00 0.00 179.45 179.04 2jjk h ALA 43 N 1.37 0.88 -0.06 3.86 0.00 -0.91 -1.32 119.26 123.08 2jjk h ALA 43 Ca 0.11 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2jjk h ALA 43 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jjk h ALA 43 CO 0.02 0.66 0.01 0.82 0.00 0.00 0.00 179.25 180.76 2jjk h ILE 44 N 0.32 1.22 -0.33 0.00 2.04 -0.24 -2.61 117.51 117.90 2jjk h ILE 44 Ca 0.02 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.27 2jjk h ILE 44 Cb 0.98 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.56 2jjk h ILE 44 CO 0.08 0.18 -0.09 -1.28 0.00 0.00 0.00 178.15 177.05 2jjk h SER 45 N -0.16 -0.34 -0.83 1.72 0.87 -0.90 0.22 113.55 114.13 2jjk h SER 45 Ca 0.02 0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.80 2jjk h SER 45 Cb 0.29 0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 62.38 2jjk h SER 45 CO 0.00 -0.12 0.44 -1.28 -0.53 0.00 0.00 176.83 175.34 2jjk h SER 46 N -0.02 0.57 -0.18 6.23 0.87 -1.25 -0.09 113.55 119.68 2jjk h SER 46 Ca 0.16 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2jjk h SER 46 Cb 0.26 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jjk h SER 46 CO -0.35 0.28 -0.24 0.00 -0.53 0.00 0.00 176.83 175.99 2jjk h ALA 47 N 1.51 0.28 -0.89 6.23 0.00 -0.87 -2.23 119.26 123.30 2jjk h ALA 47 Ca 0.43 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jjk h ALA 47 Cb 0.54 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2jjk h ALA 47 CO -0.32 0.25 0.55 0.28 0.00 0.00 0.00 179.25 180.01 2jjk h VAL 48 N 0.15 1.24 0.00 0.00 2.07 -0.33 -1.52 116.25 117.86 2jjk h VAL 48 Ca 0.02 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2jjk h VAL 48 Cb 0.81 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2jjk h VAL 48 CO 0.06 0.25 0.00 0.54 0.02 0.00 0.00 177.57 178.43 2jjk n ARG 49 N -4.42 0.93 -2.36 1.57 3.00 -0.07 -4.91 116.66 110.41 2jjk n ARG 49 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.86 2jjk n ARG 49 Cb 0.05 -1.47 0.01 0.00 0.00 0.00 0.00 32.46 31.04 2jjk n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2jjk n LYS 50 N -0.97 -1.26 -1.90 5.56 4.76 -0.57 -5.01 118.16 118.77 2jjk n LYS 50 Ca 0.21 0.35 -0.42 0.00 -2.87 0.00 0.00 58.31 55.58 2jjk n LYS 50 Cb 0.10 -4.12 -0.03 0.00 -1.84 0.00 0.00 35.03 29.13 2jjk n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jjk s ALA 51 N -2.59 3.79 0.00 7.82 0.00 -0.85 -2.31 121.76 127.61 2jjk s ALA 51 Ca 0.06 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2jjk s ALA 51 Cb -0.03 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2jjk s ALA 51 CO 0.08 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2jjk n GLY 52 N 3.64 1.01 0.39 0.00 0.00 -1.26 -4.81 105.19 104.16 2jjk n GLY 52 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.34 2jjk n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jjk h ILE 53 N 0.00 0.75 -0.58 -0.61 6.09 -1.87 0.12 117.51 121.41 2jjk h ILE 53 Ca 0.00 -0.08 0.13 0.00 -1.37 0.00 0.00 64.86 63.54 2jjk h ILE 53 Cb 0.00 0.50 -0.03 0.00 0.47 0.00 0.00 36.82 37.76 2jjk h ILE 53 CO 0.00 0.04 0.40 0.00 -3.07 0.00 0.00 178.15 175.52 2jjk h ALA 54 N 1.67 2.27 0.00 0.18 0.00 -1.92 -1.13 119.26 120.33 2jjk h ALA 54 Ca 0.33 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2jjk h ALA 54 Cb 0.97 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2jjk h ALA 54 CO -0.07 -0.42 -0.54 0.45 0.00 0.00 0.00 179.25 178.67 2jjk h HIS 55 N 0.20 0.00 0.00 0.00 3.86 -1.16 -2.04 115.15 116.01 2jjk h HIS 55 Ca 0.28 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.42 2jjk h HIS 55 Cb 0.82 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 2jjk h HIS 55 CO -0.00 0.54 -0.34 1.25 0.86 0.00 0.00 177.93 180.25 2jjk h LEU 56 N 0.00 0.00 -3.59 2.43 6.46 -1.28 -3.21 115.31 116.11 2jjk h LEU 56 Ca -0.01 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 2jjk h LEU 56 Cb 1.07 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.95 2jjk h LEU 56 CO 0.07 0.34 0.11 -1.22 -0.62 0.00 0.00 178.44 177.11 2jjk n TYR 57 N -3.97 2.06 -1.82 1.25 4.02 -0.87 -4.93 117.16 112.89 2jjk n TYR 57 Ca -0.02 -0.97 0.00 0.00 -0.01 0.00 0.00 57.90 56.90 2jjk n TYR 57 Cb 0.39 -0.56 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 2jjk n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jjk n GLY 58 N 0.10 0.62 0.27 2.72 0.00 -1.15 -4.96 105.19 102.78 2jjk n GLY 58 Ca 0.33 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 2jjk n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jjk h ILE 59 N 0.00 1.22 -0.60 -0.61 2.10 -1.60 -2.50 117.51 115.52 2jjk h ILE 59 Ca 0.00 -0.90 -0.28 0.00 1.08 0.00 0.00 64.86 64.75 2jjk h ILE 59 Cb 0.88 0.99 -0.17 0.00 -1.09 0.00 0.00 36.82 37.43 2jjk h ILE 59 CO 0.00 0.31 0.20 0.00 -1.08 0.00 0.00 178.15 177.58 2jjk n ALA 60 N -2.48 4.68 -0.88 0.18 0.00 -1.26 -5.08 120.51 115.66 2jjk n ALA 60 Ca 0.01 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.52 2jjk n ALA 60 Cb 0.28 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2jjk n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjk n GLY 61 N -1.00 0.97 0.00 0.00 0.00 -0.95 -5.21 105.19 99.00 2jjk n GLY 61 Ca 0.42 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jjk n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jjk n LYS 72 N -1.53 0.00 -0.17 1.61 3.00 -1.26 -4.62 118.16 115.18 2jjk n LYS 72 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2jjk n LYS 72 Cb 0.17 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.21 2jjk n LYS 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2jjk h LEU 73 N 0.00 0.83 -0.75 3.14 5.85 -2.00 0.41 115.31 122.79 2jjk h LEU 73 Ca 0.00 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 2jjk h LEU 73 Cb 0.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2jjk h LEU 73 CO 0.00 0.90 0.27 -2.24 -0.34 0.00 0.00 178.44 177.03 2jjk h ASP 74 N 0.72 1.06 -0.61 1.25 2.03 -1.96 -1.77 116.42 117.15 2jjk h ASP 74 Ca 0.15 -0.19 -0.06 0.00 -0.73 0.00 0.00 57.03 56.20 2jjk h ASP 74 Cb 0.45 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.65 2jjk h ASP 74 CO 0.02 0.97 0.16 0.58 -1.03 0.00 0.00 179.24 179.93 2jjk h VAL 75 N 1.10 1.25 -0.38 4.15 2.07 -1.92 -1.71 116.25 120.81 2jjk h VAL 75 Ca 0.25 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2jjk h VAL 75 Cb 0.26 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2jjk h VAL 75 CO -0.01 0.34 0.09 0.25 0.02 0.00 0.00 177.57 178.25 2jjk h LEU 76 N 0.88 0.57 -0.34 2.57 5.85 -0.13 -2.24 115.31 122.48 2jjk h LEU 76 Ca 0.19 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2jjk h LEU 76 Cb 0.34 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2jjk h LEU 76 CO 0.00 0.66 0.02 0.28 -0.34 0.00 0.00 178.44 179.05 2jjk h SER 77 N 0.46 -0.10 -0.31 1.25 0.02 -1.17 0.78 113.55 114.48 2jjk h SER 77 Ca 0.12 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2jjk h SER 77 Cb 0.31 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2jjk h SER 77 CO 0.00 -0.01 0.07 -1.13 -1.14 0.00 0.00 176.83 174.62 2jjk h ASN 78 N 0.12 0.03 -0.56 3.07 -1.24 -1.24 -1.35 115.58 114.41 2jjk h ASN 78 Ca 0.17 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.25 2jjk h ASN 78 Cb 0.22 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.29 2jjk h ASN 78 CO -0.26 0.05 0.34 0.44 -1.29 0.00 0.00 177.43 176.70 2jjk h ASP 79 N 0.18 0.54 -0.23 1.15 3.32 -0.81 0.18 116.42 120.75 2jjk h ASP 79 Ca 0.14 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.21 2jjk h ASP 79 Cb 0.15 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2jjk h ASP 79 CO -0.19 0.38 0.14 -0.07 -1.72 0.00 0.00 179.24 177.78 2jjk h LEU 80 N 0.66 0.24 -0.19 1.55 3.38 -0.62 0.52 115.31 120.85 2jjk h LEU 80 Ca 0.23 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 2jjk h LEU 80 Cb 0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2jjk h LEU 80 CO -0.10 0.17 -0.17 0.58 0.09 0.00 0.00 178.44 179.01 2jjk h VAL 81 N 0.29 1.33 0.10 1.22 2.07 -0.86 -1.52 116.25 118.88 2jjk h VAL 81 Ca 0.09 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2jjk h VAL 81 Cb -0.02 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2jjk h VAL 81 CO -0.03 0.40 -0.09 0.24 0.02 0.00 0.00 177.57 178.10 2jjk h MET 82 N 0.11 -0.20 -0.42 1.57 2.86 -0.67 0.20 114.93 118.37 2jjk h MET 82 Ca 0.03 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2jjk h MET 82 Cb 0.70 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 2jjk h MET 82 CO 0.04 -0.14 0.10 -0.97 1.06 0.00 0.00 176.91 177.01 2jjk h ASN 83 N -0.21 0.64 -0.19 1.22 -1.24 -0.90 -1.14 115.58 113.76 2jjk h ASN 83 Ca 0.00 -0.23 -0.01 0.00 0.71 0.00 0.00 56.30 56.77 2jjk h ASN 83 Cb 0.20 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2jjk h ASN 83 CO -0.02 0.71 0.07 0.24 -1.29 0.00 0.00 177.43 177.14 2jjk h MET 84 N 0.55 0.29 -0.41 6.67 2.86 -1.13 -2.23 114.93 121.53 2jjk h MET 84 Ca 0.13 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2jjk h MET 84 Cb 0.32 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2jjk h MET 84 CO 0.00 0.37 0.19 -0.07 1.06 0.00 0.00 176.91 178.46 2jjk h LEU 85 N 0.15 0.26 -0.33 1.22 3.38 -0.94 -2.41 115.31 116.64 2jjk h LEU 85 Ca 0.06 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2jjk h LEU 85 Cb 0.19 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2jjk h LEU 85 CO -0.00 0.19 0.16 0.11 0.09 0.00 0.00 178.44 178.99 2jjk h LYS 86 N 0.38 0.33 0.00 1.13 1.57 -1.11 -2.28 116.57 116.59 2jjk h LYS 86 Ca 0.18 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2jjk h LYS 86 Cb 0.10 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2jjk h LYS 86 CO -0.14 0.22 0.00 -1.13 -0.57 0.00 0.00 179.45 177.83 2jjk n SER 87 N -4.95 0.00 0.11 0.86 3.41 -0.85 -2.99 113.62 109.22 2jjk n SER 87 Ca -0.00 -0.71 0.13 0.00 -0.26 0.00 0.00 58.87 58.02 2jjk n SER 87 Cb 0.08 -0.04 0.44 0.00 -0.26 0.00 0.00 64.21 64.42 2jjk n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2jjk n SER 88 N -1.04 0.77 0.00 4.04 3.41 -0.86 -4.87 113.62 115.06 2jjk n SER 88 Ca 0.19 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 2jjk n SER 88 Cb 0.11 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2jjk n SER 88 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2jjk n PHE 89 N -2.26 0.00 0.73 7.33 3.01 -1.16 -4.66 117.46 120.46 2jjk n PHE 89 Ca 0.04 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.58 2jjk n PHE 89 Cb 0.36 -1.25 -0.02 0.00 -0.01 0.00 0.00 39.48 38.56 2jjk n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jjk n ALA 90 N 1.00 3.36 -2.55 4.37 0.00 -1.26 -2.91 120.51 122.53 2jjk n ALA 90 Ca 0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 53.44 52.66 2jjk n ALA 90 Cb 0.28 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 2jjk n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jjk s THR 91 N -2.03 2.32 0.00 0.00 -4.23 -1.26 -1.00 115.64 109.44 2jjk s THR 91 Ca 0.12 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2jjk s THR 91 Cb 0.13 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2jjk s THR 91 CO 0.46 -0.18 0.00 0.00 -0.54 0.00 0.00 174.62 174.36 2jjk s VAL 93 N -0.69 -0.05 -0.15 0.00 1.01 -1.25 -1.84 120.40 117.44 2jjk s VAL 93 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.34 2jjk s VAL 93 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.22 2jjk s VAL 93 CO 0.00 0.16 -0.21 -0.76 0.00 0.00 0.00 175.10 174.29 2jjk s LEU 94 N 1.83 2.16 -0.14 3.92 1.43 -0.10 -1.75 118.68 126.03 2jjk s LEU 94 Ca 0.01 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 2jjk s LEU 94 Cb -0.12 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2jjk s LEU 94 CO -0.03 0.07 -0.04 -0.69 0.23 0.00 0.00 176.35 175.88 2jjk s VAL 95 N 0.90 3.86 0.02 -1.59 1.01 0.68 -0.18 120.40 125.10 2jjk s VAL 95 Ca -0.05 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.59 2jjk s VAL 95 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2jjk s VAL 95 CO -0.04 0.52 -0.11 -0.55 0.00 0.00 0.00 175.10 174.92 2jjk s SER 96 N 0.08 1.29 0.35 3.32 0.15 -1.26 -0.51 113.70 117.12 2jjk s SER 96 Ca -0.01 -0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.40 2jjk s SER 96 Cb -0.14 -0.09 0.91 0.00 -1.71 0.00 0.00 66.02 65.00 2jjk s SER 96 CO 0.03 0.02 1.78 -0.08 1.20 0.00 0.00 173.24 176.20 2jjk h GLU 97 N 5.25 0.57 0.00 5.44 4.22 -1.82 -1.43 114.58 126.81 2jjk h GLU 97 Ca -0.35 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.06 2jjk h GLU 97 Cb 1.18 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jjk h GLU 97 CO 0.46 0.37 0.00 0.39 -2.18 0.00 0.00 179.01 178.05 2jjk n GLU 98 N -4.70 0.19 -5.00 1.92 -0.58 -1.26 -4.80 120.64 106.40 2jjk n GLU 98 Ca 0.24 0.41 -0.29 0.00 -0.42 0.00 0.00 57.16 57.09 2jjk n GLU 98 Cb 0.70 -1.86 -0.17 0.00 -0.57 0.00 0.00 31.44 29.54 2jjk n GLU 98 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jjk s ASP 99 N -4.24 2.59 0.14 1.62 1.11 -0.54 -5.02 116.67 112.33 2jjk s ASP 99 Ca 0.05 -0.45 -0.18 0.00 0.18 0.00 0.00 52.55 52.15 2jjk s ASP 99 Cb 0.09 -0.99 -0.02 0.00 1.07 0.00 0.00 42.92 43.07 2jjk s ASP 99 CO 0.40 0.15 1.78 0.50 1.18 0.00 0.00 175.17 179.18 2jjk h LYS 100 N 6.54 0.31 -6.31 8.23 3.64 -1.87 -3.42 116.57 123.68 2jjk h LYS 100 Ca -0.27 -0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 58.49 2jjk h LYS 100 Cb 1.20 -0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 32.82 2jjk h LYS 100 CO 0.47 0.21 -0.72 -1.01 -2.27 0.00 0.00 179.45 176.13 2jjk s HIS 101 N -6.17 2.51 0.47 1.91 3.76 -1.26 -4.95 115.29 111.56 2jjk s HIS 101 Ca -0.13 -0.27 -0.24 0.00 -0.15 0.00 0.00 55.06 54.27 2jjk s HIS 101 Cb 0.10 -1.15 -0.07 0.00 1.11 0.00 0.00 32.58 32.57 2jjk s HIS 101 CO 0.70 0.61 1.36 0.00 -0.85 0.00 0.00 174.74 176.56 2jjk s ALA 102 N -2.16 3.09 -0.07 -1.40 0.00 -1.26 -4.82 121.76 115.14 2jjk s ALA 102 Ca 0.28 1.33 -0.23 0.00 0.00 0.00 0.00 51.96 53.34 2jjk s ALA 102 Cb -0.07 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2jjk s ALA 102 CO 0.16 -1.12 0.67 0.42 0.00 0.00 0.00 175.76 175.89 2jjk s ILE 103 N -1.27 5.06 -0.30 0.00 -1.09 0.75 -4.89 121.20 119.45 2jjk s ILE 103 Ca 0.64 1.38 -0.10 0.00 -2.23 0.00 0.00 60.65 60.34 2jjk s ILE 103 Cb -0.40 -4.01 -0.02 0.00 -1.58 0.00 0.00 42.46 36.45 2jjk s ILE 103 CO 0.50 0.27 0.15 -0.63 -1.23 0.00 0.00 174.94 174.00 2jjk s ILE 104 N 0.73 4.67 0.31 2.92 -1.09 -1.26 -0.93 121.20 126.56 2jjk s ILE 104 Ca 0.36 -0.29 -0.29 0.00 -2.23 0.00 0.00 60.65 58.20 2jjk s ILE 104 Cb -0.17 -3.32 -0.10 0.00 -1.58 0.00 0.00 42.46 37.28 2jjk s ILE 104 CO 0.17 0.14 1.40 -0.69 -1.23 0.00 0.00 174.94 174.73 2jjk s VAL 105 N 1.64 2.53 0.64 2.92 1.01 -0.77 -4.96 120.40 123.42 2jjk s VAL 105 Ca 0.05 0.50 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 2jjk s VAL 105 Cb -0.17 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2jjk s VAL 105 CO 0.07 0.11 1.16 -1.83 0.00 0.00 0.00 175.10 174.60 2jjk s GLU 106 N -1.34 2.77 0.28 2.72 -1.05 -1.26 -4.76 118.70 116.07 2jjk s GLU 106 Ca 0.54 1.62 0.02 0.00 -0.15 0.00 0.00 54.97 57.00 2jjk s GLU 106 Cb -0.42 -1.93 0.64 0.00 -0.44 0.00 0.00 34.13 31.99 2jjk s GLU 106 CO 0.52 -1.32 1.76 -1.35 0.95 0.00 0.00 175.26 175.82 2jjk h PRO 107 N 0.36 0.63 0.00 -4.83 0.11 -1.97 -1.68 132.00 124.61 2jjk h PRO 107 Ca -0.48 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2jjk h PRO 107 Cb 1.27 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2jjk h PRO 107 CO 0.54 0.42 -0.28 0.93 -0.21 0.00 0.00 178.00 179.40 2jjk h GLU 108 N 0.65 0.00 -0.61 1.05 5.08 -2.02 -2.92 114.58 115.81 2jjk h GLU 108 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2jjk h GLU 108 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2jjk h GLU 108 CO -0.39 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 179.53 2jjk n LYS 109 N -3.62 2.88 -2.78 2.33 5.02 -0.67 -5.01 118.16 116.30 2jjk n LYS 109 Ca -0.01 -2.52 -0.41 0.00 -2.02 0.00 0.00 58.31 53.35 2jjk n LYS 109 Cb 0.41 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 2jjk n LYS 109 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jjk s ARG 110 N -1.12 4.54 0.00 1.97 3.52 -1.01 -3.97 118.95 122.88 2jjk s ARG 110 Ca 0.42 1.31 0.00 0.00 -0.13 0.00 0.00 55.73 57.33 2jjk s ARG 110 Cb 0.23 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 2jjk s ARG 110 CO 0.27 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.16 2jjk n GLY 111 N 2.90 5.30 1.06 8.12 0.00 0.20 -4.80 105.19 117.97 2jjk n GLY 111 Ca 0.04 -1.95 0.11 0.00 0.00 0.00 0.00 46.02 44.23 2jjk n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jjk n LYS 112 N 0.00 2.38 -4.63 1.61 2.85 -0.99 -3.79 118.16 115.59 2jjk n LYS 112 Ca 0.00 -2.10 -0.33 0.00 -1.05 0.00 0.00 58.31 54.84 2jjk n LYS 112 Cb 0.00 -1.49 -0.12 0.00 -0.65 0.00 0.00 35.03 32.77 2jjk n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2jjk s TYR 113 N -1.50 2.82 -0.15 5.58 2.02 -0.17 -0.96 117.35 124.99 2jjk s TYR 113 Ca 0.38 -0.07 -0.08 0.00 -0.37 0.00 0.00 57.07 56.93 2jjk s TYR 113 Cb 0.22 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2jjk s TYR 113 CO 0.31 0.30 0.13 0.08 -1.57 0.00 0.00 175.55 174.80 2jjk s VAL 114 N -0.87 5.42 -0.05 0.71 1.01 0.19 -1.18 120.40 125.63 2jjk s VAL 114 Ca 0.14 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.34 2jjk s VAL 114 Cb -0.11 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2jjk s VAL 114 CO 0.04 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 174.88 2jjk s VAL 115 N -0.55 1.13 -0.11 2.92 1.01 -0.72 0.35 120.40 124.43 2jjk s VAL 115 Ca 0.12 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2jjk s VAL 115 Cb -0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2jjk s VAL 115 CO 0.02 0.34 -0.21 0.00 0.00 0.00 0.00 175.10 175.26 2jjk s PHE 117 N 0.28 -0.07 -0.31 0.00 -0.71 0.34 -2.00 117.98 115.51 2jjk s PHE 117 Ca -0.15 -0.13 0.01 0.00 -1.04 0.00 0.00 56.93 55.61 2jjk s PHE 117 Cb -0.17 0.08 0.07 0.00 -1.21 0.00 0.00 43.02 41.80 2jjk s PHE 117 CO 0.07 -0.53 0.01 0.34 -1.34 0.00 0.00 175.22 173.78 2jjk s ASP 118 N -2.26 4.80 0.30 1.98 -1.08 0.29 -2.06 116.67 118.64 2jjk s ASP 118 Ca -0.03 -1.61 0.11 0.00 -0.52 0.00 0.00 52.55 50.51 2jjk s ASP 118 Cb 0.00 -1.67 0.46 0.00 -1.46 0.00 0.00 42.92 40.25 2jjk s ASP 118 CO -0.05 -0.31 1.67 1.55 0.52 0.00 0.00 175.17 178.55 2jjk h PRO 119 N 7.86 0.00 -2.13 4.34 0.13 -1.86 -0.45 132.00 139.89 2jjk h PRO 119 Ca -0.16 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.42 2jjk h PRO 119 Cb 1.04 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.80 2jjk h PRO 119 CO 0.53 0.55 -1.00 -0.11 -0.23 0.00 0.00 178.00 177.74 2jjk n LEU 120 N -3.86 -0.40 -4.71 1.56 7.94 -1.25 -4.42 117.00 111.85 2jjk n LEU 120 Ca -0.01 -4.42 -0.42 0.00 -1.11 0.00 0.00 56.01 50.05 2jjk n LEU 120 Cb 0.56 0.60 -0.03 0.00 0.53 0.00 0.00 43.42 45.08 2jjk n LEU 120 CO 0.41 1.94 1.30 -0.62 -1.11 0.00 0.00 177.39 179.32 2jjk s ASP 121 N -0.41 6.50 0.00 1.96 2.15 0.28 -2.68 116.67 124.46 2jjk s ASP 121 Ca 0.34 2.71 0.00 0.00 0.43 0.00 0.00 52.55 56.03 2jjk s ASP 121 Cb 0.09 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2jjk s ASP 121 CO -0.16 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.55 2jjk n GLY 122 N 3.88 0.74 0.02 2.66 0.00 -1.26 -2.02 105.19 109.21 2jjk n GLY 122 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2jjk n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jjk n SER 123 N 0.00 0.09 0.30 1.61 3.41 -1.09 -2.78 113.62 115.17 2jjk n SER 123 Ca 0.00 0.52 0.20 0.00 -0.26 0.00 0.00 58.87 59.33 2jjk n SER 123 Cb 0.00 -0.54 0.99 0.00 -0.26 0.00 0.00 64.21 64.39 2jjk n SER 123 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2jjk h SER 124 N 0.00 0.00 0.00 4.04 4.64 -1.92 -2.33 113.55 117.98 2jjk h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jjk h SER 124 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2jjk h SER 124 CO 0.00 0.00 -0.01 0.59 -0.87 0.00 0.00 176.83 176.54 2jjk n ASN 125 N -3.02 2.14 0.30 4.97 5.03 -1.12 -4.73 115.26 118.84 2jjk n ASN 125 Ca -0.02 -2.55 0.19 0.00 0.87 0.00 0.00 54.58 53.07 2jjk n ASN 125 Cb 0.16 -0.22 1.03 0.00 -1.02 0.00 0.00 39.78 39.72 2jjk n ASN 125 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 2jjk h ILE 126 N 0.10 0.23 -1.24 2.41 2.10 -1.50 -0.20 117.51 119.42 2jjk h ILE 126 Ca 0.00 0.00 0.36 0.00 1.08 0.00 0.00 64.86 66.30 2jjk h ILE 126 Cb 0.77 0.94 -0.06 0.00 -1.09 0.00 0.00 36.82 37.39 2jjk h ILE 126 CO 0.00 0.00 0.88 0.44 -1.08 0.00 0.00 178.15 178.39 2jjk h ASP 127 N 0.00 0.04 -0.54 2.19 3.32 -1.85 0.55 116.42 120.13 2jjk h ASP 127 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2jjk h ASP 127 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2jjk h ASP 127 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2jjk n LEU 129 N 1.41 -1.08 -4.69 0.00 4.77 0.19 -5.00 117.00 112.61 2jjk n LEU 129 Ca 0.20 0.13 -0.35 0.00 -0.03 0.00 0.00 56.01 55.96 2jjk n LEU 129 Cb 0.58 -1.67 0.10 0.00 -2.33 0.00 0.00 43.42 40.10 2jjk n LEU 129 CO 0.15 -0.34 0.77 0.55 -1.33 0.00 0.00 177.39 177.19 2jjk n VAL 130 N -3.31 3.18 -1.73 4.08 3.14 -1.25 -4.90 118.33 117.53 2jjk n VAL 130 Ca -0.11 -0.34 -0.42 0.00 -2.96 0.00 0.00 64.34 60.51 2jjk n VAL 130 Cb 0.45 -1.28 -0.01 0.00 -1.06 0.00 0.00 33.84 31.95 2jjk n VAL 130 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jjk n SER 131 N -2.53 3.19 -4.54 6.55 7.64 -1.26 -4.79 113.62 117.89 2jjk n SER 131 Ca 0.14 1.21 -0.27 0.00 1.01 0.00 0.00 58.87 60.96 2jjk n SER 131 Cb 0.49 -1.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.06 2jjk n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2jjk s VAL 132 N -0.97 1.35 0.26 0.44 -7.23 -1.22 -4.74 120.40 108.29 2jjk s VAL 132 Ca 0.56 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.53 2jjk s VAL 132 Cb -0.54 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 33.81 2jjk s VAL 132 CO 0.61 0.00 0.67 -0.83 -0.31 0.00 0.00 175.10 175.24 2jjk s GLY 133 N -3.68 -0.09 -0.07 2.32 0.00 -0.86 -1.05 107.32 103.89 2jjk s GLY 133 Ca 0.26 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.72 2jjk s GLY 133 CO 0.13 -0.12 -0.11 -1.59 0.00 0.00 0.00 173.10 171.40 2jjk s THR 134 N -3.91 3.28 -0.06 0.90 2.01 0.11 0.99 115.64 118.96 2jjk s THR 134 Ca 0.11 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.54 2jjk s THR 134 Cb -0.05 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 2jjk s THR 134 CO 0.04 0.58 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.68 2jjk s ILE 135 N -0.50 2.17 0.00 1.82 1.01 -0.18 -0.59 121.20 124.94 2jjk s ILE 135 Ca 0.07 -1.02 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 2jjk s ILE 135 Cb -0.12 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.55 2jjk s ILE 135 CO 0.02 0.57 0.10 0.72 0.00 0.00 0.00 174.94 176.34 2jjk s PHE 136 N -0.14 0.08 -0.00 3.97 -0.12 -0.36 -0.55 117.98 120.86 2jjk s PHE 136 Ca -0.04 -0.19 0.00 0.00 -0.05 0.00 0.00 56.93 56.65 2jjk s PHE 136 Cb -0.14 -0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.18 2jjk s PHE 136 CO 0.04 -0.24 -0.01 0.20 -0.05 0.00 0.00 175.22 175.16 2jjk s GLY 137 N -1.27 0.05 -0.07 1.99 0.00 -0.85 -0.57 107.32 106.61 2jjk s GLY 137 Ca -0.14 -0.03 0.05 0.00 0.00 0.00 0.00 44.72 44.60 2jjk s GLY 137 CO 0.01 -0.00 -0.21 -0.42 0.00 0.00 0.00 173.10 172.48 2jjk s ILE 138 N 0.03 2.42 0.09 0.90 1.01 0.17 -2.01 121.20 123.80 2jjk s ILE 138 Ca -0.00 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 59.81 2jjk s ILE 138 Cb -0.01 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2jjk s ILE 138 CO -0.00 0.57 -0.24 -0.31 0.00 0.00 0.00 174.94 174.96 2jjk s TYR 139 N -0.18 2.07 -0.13 3.97 2.02 0.15 -0.36 117.35 124.90 2jjk s TYR 139 Ca -0.02 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.07 2jjk s TYR 139 Cb -0.14 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 2jjk s TYR 139 CO 0.04 0.21 0.60 0.50 -1.57 0.00 0.00 175.55 175.33 2jjk s ARG 140 N -1.67 4.33 -0.17 -0.62 3.52 -1.26 0.54 118.95 123.63 2jjk s ARG 140 Ca 0.10 0.65 -0.28 0.00 -0.13 0.00 0.00 55.73 56.08 2jjk s ARG 140 Cb -0.10 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 2jjk s ARG 140 CO 0.04 -0.01 0.95 0.21 -0.81 0.00 0.00 175.30 175.68 2jjk s LYS 141 N 1.13 4.32 -0.21 5.12 2.20 -0.14 -4.89 119.74 127.27 2jjk s LYS 141 Ca 0.31 1.24 -0.20 0.00 -0.36 0.00 0.00 55.97 56.96 2jjk s LYS 141 Cb -0.16 -3.59 -0.17 0.00 -1.51 0.00 0.00 37.83 32.41 2jjk s LYS 141 CO 0.13 -0.42 0.11 1.17 -0.36 0.00 0.00 175.35 175.98 2jjk n LYS 142 N 5.50 0.56 -1.07 4.03 4.81 -1.26 -4.92 118.16 125.81 2jjk n LYS 142 Ca 0.08 0.54 -0.35 0.00 -0.87 0.00 0.00 58.31 57.70 2jjk n LYS 142 Cb 0.48 -1.71 0.07 0.00 0.02 0.00 0.00 35.03 33.89 2jjk n LYS 142 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2jjk n SER 143 N -4.43 -2.54 -0.83 3.14 3.41 -1.26 -4.92 113.62 106.19 2jjk n SER 143 Ca -0.32 0.44 0.10 0.00 -0.26 0.00 0.00 58.87 58.83 2jjk n SER 143 Cb 0.66 -1.10 0.28 0.00 -0.26 0.00 0.00 64.21 63.80 2jjk n SER 143 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jjk n THR 144 N -2.70 0.40 -1.81 6.66 -2.24 -1.26 -4.95 114.28 108.38 2jjk n THR 144 Ca 0.07 -0.54 -0.36 0.00 -2.27 0.00 0.00 64.05 60.95 2jjk n THR 144 Cb 0.52 0.56 0.06 0.00 -2.10 0.00 0.00 70.33 69.37 2jjk n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jjk s ASP 145 N -1.41 4.82 0.20 3.42 1.01 -1.26 -4.97 116.67 118.48 2jjk s ASP 145 Ca 0.34 2.42 -0.33 0.00 0.71 0.00 0.00 52.55 55.70 2jjk s ASP 145 Cb 0.19 -2.60 -0.13 0.00 1.01 0.00 0.00 42.92 41.39 2jjk s ASP 145 CO 0.27 -1.84 1.54 1.21 0.21 0.00 0.00 175.17 176.55 2jjk n GLU 146 N -1.95 2.21 -1.62 8.23 2.13 -1.26 -4.93 120.64 123.46 2jjk n GLU 146 Ca 0.14 0.79 -0.39 0.00 0.66 0.00 0.00 57.16 58.36 2jjk n GLU 146 Cb 0.49 -2.53 0.03 0.00 0.27 0.00 0.00 31.44 29.70 2jjk n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2jjk n PRO 147 N 2.91 1.14 -3.79 5.31 -0.04 -1.26 -5.01 135.00 134.26 2jjk n PRO 147 Ca 0.14 0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 63.93 2jjk n PRO 147 Cb 0.31 -2.13 -0.04 0.00 -0.04 0.00 0.00 33.50 31.59 2jjk n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2jjk s SER 148 N -1.00 -0.19 0.43 3.54 1.04 -1.26 -5.03 113.70 111.23 2jjk s SER 148 Ca 0.70 -0.58 0.22 0.00 0.48 0.00 0.00 55.95 56.77 2jjk s SER 148 Cb -0.47 0.55 1.19 0.00 0.10 0.00 0.00 66.02 67.39 2jjk s SER 148 CO 0.52 -1.02 1.79 -0.08 0.98 0.00 0.00 173.24 175.42 2jjk h GLU 149 N 2.28 0.30 0.00 4.02 4.81 -1.94 -1.11 114.58 122.93 2jjk h GLU 149 Ca -0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2jjk h GLU 149 Cb 1.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2jjk h GLU 149 CO 0.40 0.20 0.00 1.63 -0.73 0.00 0.00 179.01 180.51 2jjk n LYS 150 N -4.53 0.13 0.28 1.92 5.02 -1.26 -1.52 118.16 118.19 2jjk n LYS 150 Ca 0.25 0.30 0.16 0.00 -2.02 0.00 0.00 58.31 56.99 2jjk n LYS 150 Cb 0.93 -1.72 0.81 0.00 -0.02 0.00 0.00 35.03 35.04 2jjk n LYS 150 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2jjk h ASP 151 N 0.00 0.00 1.32 4.39 3.32 -1.61 -1.71 116.42 122.12 2jjk h ASP 151 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jjk h ASP 151 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2jjk h ASP 151 CO 0.00 0.07 -0.09 0.00 -1.72 0.00 0.00 179.24 177.50 2jjk n ALA 152 N -2.19 2.39 -2.18 3.45 0.00 -0.58 -4.56 120.51 116.84 2jjk n ALA 152 Ca -0.01 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2jjk n ALA 152 Cb 0.23 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 2jjk n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jjk n LEU 153 N -2.12 5.75 -3.99 0.00 4.77 -0.65 -4.89 117.00 115.86 2jjk n LEU 153 Ca 0.05 -3.99 -0.12 0.00 -0.03 0.00 0.00 56.01 51.92 2jjk n LEU 153 Cb 0.42 -1.70 -0.12 0.00 -2.33 0.00 0.00 43.42 39.68 2jjk n LEU 153 CO 0.31 0.53 -0.39 -1.10 -1.33 0.00 0.00 177.39 175.42 2jjk s GLN 154 N 3.82 0.38 0.50 3.23 -0.21 -1.26 -4.80 119.66 121.31 2jjk s GLN 154 Ca 0.51 -0.51 -0.21 0.00 0.02 0.00 0.00 55.36 55.18 2jjk s GLN 154 Cb 0.08 -0.17 -0.07 0.00 1.00 0.00 0.00 33.01 33.85 2jjk s GLN 154 CO 0.01 0.03 1.09 -1.25 -2.12 0.00 0.00 175.29 173.05 2jjk s PRO 155 N -1.05 3.64 0.57 2.91 0.04 -1.26 -4.57 135.00 135.28 2jjk s PRO 155 Ca -0.08 1.53 0.27 0.00 0.04 0.00 0.00 61.00 62.76 2jjk s PRO 155 Cb -0.07 -2.14 1.56 0.00 0.04 0.00 0.00 34.50 33.90 2jjk s PRO 155 CO -0.00 -0.59 2.08 0.78 0.04 0.00 0.00 177.00 179.30 2jjk h GLY 156 N 1.55 0.00 0.77 0.56 0.00 -1.55 -0.42 103.07 104.00 2jjk h GLY 156 Ca -0.50 0.00 0.11 0.00 0.00 0.00 0.00 47.33 46.95 2jjk h GLY 156 CO 0.59 0.00 0.50 3.21 0.00 0.00 0.00 176.54 180.84 2jjk h ARG 157 N 0.00 0.00 -0.01 4.80 2.47 -1.46 0.38 114.38 120.56 2jjk h ARG 157 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2jjk h ARG 157 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2jjk h ARG 157 CO -0.00 0.00 -0.12 0.09 0.56 0.00 0.00 179.97 180.50 2jjk n ASN 158 N -3.52 1.14 -4.69 7.04 4.13 -0.16 -4.96 115.26 114.23 2jjk n ASN 158 Ca 0.07 -1.13 -0.43 0.00 1.68 0.00 0.00 54.58 54.77 2jjk n ASN 158 Cb 0.67 0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.94 2jjk n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2jjk n LEU 159 N -0.33 3.48 -0.03 3.41 4.77 0.12 -4.62 117.00 123.79 2jjk n LEU 159 Ca 0.16 1.17 -0.17 0.00 -0.03 0.00 0.00 56.01 57.15 2jjk n LEU 159 Cb 0.34 -1.48 -0.14 0.00 -2.33 0.00 0.00 43.42 39.81 2jjk n LEU 159 CO 0.21 -0.40 -0.87 0.52 -1.33 0.00 0.00 177.39 175.53 2jjk n VAL 160 N 1.20 1.65 -3.59 4.08 0.31 0.51 -4.99 118.33 117.51 2jjk n VAL 160 Ca 0.08 -0.70 -0.12 0.00 -0.01 0.00 0.00 64.34 63.59 2jjk n VAL 160 Cb 0.34 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.84 2jjk n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jjk s ALA 161 N -2.56 -1.19 0.12 3.52 0.00 -1.21 -4.36 121.76 116.09 2jjk s ALA 161 Ca -0.19 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 51.86 2jjk s ALA 161 Cb 0.07 0.54 0.07 0.00 0.00 0.00 0.00 23.12 23.80 2jjk s ALA 161 CO 0.76 -0.57 0.76 0.00 0.00 0.00 0.00 175.76 176.71 2jjk s ALA 162 N -3.04 -1.63 0.00 0.00 0.00 -0.88 0.43 121.76 116.64 2jjk s ALA 162 Ca -0.02 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2jjk s ALA 162 Cb 0.00 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2jjk s ALA 162 CO -0.06 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2jjk n GLY 163 N -0.36 -0.50 3.47 0.00 0.00 0.27 -0.30 105.19 107.76 2jjk n GLY 163 Ca -0.11 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 2jjk n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jjk s TYR 164 N -3.30 -0.48 -0.10 1.61 -0.85 -0.68 -1.23 117.35 112.32 2jjk s TYR 164 Ca 0.00 0.27 0.03 0.00 -0.52 0.00 0.00 57.07 56.85 2jjk s TYR 164 Cb 0.00 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.91 2jjk s TYR 164 CO 0.00 -0.83 -0.22 0.00 -1.52 0.00 0.00 175.55 172.98 2jjk s ALA 165 N -3.67 2.05 -0.22 9.51 0.00 0.24 -0.10 121.76 129.57 2jjk s ALA 165 Ca 0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2jjk s ALA 165 Cb -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 2jjk s ALA 165 CO -0.11 0.19 -0.04 -1.17 0.00 0.00 0.00 175.76 174.63 2jjk s LEU 166 N 0.50 2.91 -1.19 0.00 2.96 0.11 0.07 118.68 124.03 2jjk s LEU 166 Ca -0.16 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.28 2jjk s LEU 166 Cb -0.17 -1.74 0.22 0.00 0.50 0.00 0.00 46.19 45.00 2jjk s LEU 166 CO 0.06 -0.02 1.58 -1.22 -1.32 0.00 0.00 176.35 175.43 2jjk n TYR 167 N 4.78 3.56 0.00 5.38 4.01 -0.21 -0.95 117.16 133.73 2jjk n TYR 167 Ca -0.18 -3.02 0.00 0.00 -0.16 0.00 0.00 57.90 54.54 2jjk n TYR 167 Cb 0.51 -1.80 0.00 0.00 -0.31 0.00 0.00 39.34 37.74 2jjk n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jjk n GLY 168 N 2.70 1.11 0.32 2.72 0.00 -1.26 -3.37 105.19 107.41 2jjk n GLY 168 Ca 0.33 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.64 2jjk n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jjk h SER 169 N 0.00 0.54 -3.16 1.61 4.64 -1.99 -3.42 113.55 111.77 2jjk h SER 169 Ca 0.00 -0.01 -0.49 0.00 -0.47 0.00 0.00 61.79 60.81 2jjk h SER 169 Cb 0.00 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 61.82 2jjk h SER 169 CO 0.00 0.40 -0.59 0.00 -0.87 0.00 0.00 176.83 175.77 2jjk s ALA 170 N -5.56 2.52 -0.22 5.18 0.00 -1.26 -5.14 121.76 117.28 2jjk s ALA 170 Ca -0.09 -1.83 -0.09 0.00 0.00 0.00 0.00 51.96 49.96 2jjk s ALA 170 Cb 0.17 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 2jjk s ALA 170 CO 0.74 -0.31 0.11 0.99 0.00 0.00 0.00 175.76 177.29 2jjk s THR 171 N -3.28 4.94 -0.05 0.00 2.01 -1.26 -4.43 115.64 113.58 2jjk s THR 171 Ca 0.33 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.39 2jjk s THR 171 Cb 0.07 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.31 2jjk s THR 171 CO 0.15 0.38 -0.13 -0.32 -0.69 0.00 0.00 174.62 174.01 2jjk s MET 172 N 0.94 1.57 -0.22 4.92 -2.45 -0.12 -0.33 119.30 123.60 2jjk s MET 172 Ca 0.05 -0.45 -0.10 0.00 -1.25 0.00 0.00 55.69 53.95 2jjk s MET 172 Cb -0.14 -1.35 -0.05 0.00 1.25 0.00 0.00 34.83 34.55 2jjk s MET 172 CO 0.03 0.11 0.13 -1.17 1.05 0.00 0.00 175.02 175.17 2jjk s LEU 173 N 0.38 4.06 -0.20 4.11 0.20 0.80 0.06 118.68 128.09 2jjk s LEU 173 Ca -0.09 0.12 -0.05 0.00 0.69 0.00 0.00 54.13 54.80 2jjk s LEU 173 Cb -0.13 -2.07 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 2jjk s LEU 173 CO 0.03 0.10 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.49 2jjk s VAL 174 N 0.82 3.83 -0.12 1.68 1.01 0.85 0.19 120.40 128.65 2jjk s VAL 174 Ca 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2jjk s VAL 174 Cb -0.13 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.54 2jjk s VAL 174 CO 0.02 0.43 -0.15 -0.22 0.00 0.00 0.00 175.10 175.18 2jjk s LEU 175 N 1.07 1.74 -0.11 3.92 2.96 -0.29 -1.68 118.68 126.29 2jjk s LEU 175 Ca 0.02 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 2jjk s LEU 175 Cb -0.14 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 2jjk s LEU 175 CO 0.01 -0.00 -0.08 0.00 -1.32 0.00 0.00 176.35 174.96 2jjk s ALA 176 N 1.14 2.87 0.23 5.97 0.00 0.59 -1.38 121.76 131.18 2jjk s ALA 176 Ca -0.03 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 2jjk s ALA 176 Cb -0.14 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 2jjk s ALA 176 CO -0.05 0.36 0.34 -1.64 0.00 0.00 0.00 175.76 174.78 2jjk s MET 177 N -0.09 1.41 0.37 0.00 -1.94 -0.40 -2.07 119.30 116.58 2jjk s MET 177 Ca 0.00 -1.40 0.21 0.00 -1.71 0.00 0.00 55.69 52.80 2jjk s MET 177 Cb -0.13 0.39 1.35 0.00 2.01 0.00 0.00 34.83 38.45 2jjk s MET 177 CO 0.03 -0.55 1.57 -0.25 -0.01 0.00 0.00 175.02 175.81 2jjk n ASP 178 N -0.34 0.34 0.02 3.03 9.92 -1.26 -0.56 116.55 127.71 2jjk n ASP 178 Ca -0.00 1.63 0.07 0.00 -0.53 0.00 0.00 54.79 55.97 2jjk n ASP 178 Cb 0.63 -0.80 0.32 0.00 -0.64 0.00 0.00 41.12 40.64 2jjk n ASP 178 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jjk n GLY 180 N -0.13 0.51 3.51 0.00 0.00 0.28 -4.93 105.19 104.43 2jjk n GLY 180 Ca 0.03 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 2jjk n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jjk s VAL 181 N -0.47 3.77 -0.04 1.61 1.01 -1.26 -1.27 120.40 123.74 2jjk s VAL 181 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2jjk s VAL 181 Cb 0.00 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2jjk s VAL 181 CO 0.00 0.53 -0.05 0.20 0.00 0.00 0.00 175.10 175.78 2jjk s ASN 182 N 0.04 0.96 -0.15 3.32 -0.87 -0.48 -0.41 114.94 117.36 2jjk s ASN 182 Ca -0.01 -0.14 -0.04 0.00 -1.57 0.00 0.00 52.86 51.11 2jjk s ASN 182 Cb -0.14 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.25 40.61 2jjk s ASN 182 CO 0.03 -0.04 -0.01 0.00 -2.57 0.00 0.00 177.10 174.51 2jjk s PHE 184 N 0.17 2.10 -0.06 0.00 0.08 0.13 -0.93 117.98 119.47 2jjk s PHE 184 Ca -0.00 -1.11 -0.19 0.00 0.12 0.00 0.00 56.93 55.75 2jjk s PHE 184 Cb -0.13 -1.53 -0.05 0.00 -0.57 0.00 0.00 43.02 40.73 2jjk s PHE 184 CO 0.02 -0.60 0.51 1.41 -0.10 0.00 0.00 175.22 176.47 2jjk s MET 185 N 1.30 4.27 -0.20 0.44 -2.45 0.96 -0.14 119.30 123.48 2jjk s MET 185 Ca 0.01 0.55 -0.29 0.00 -1.25 0.00 0.00 55.69 54.70 2jjk s MET 185 Cb -0.14 -3.37 0.00 0.00 1.25 0.00 0.00 34.83 32.57 2jjk s MET 185 CO -0.07 0.31 1.10 -1.17 1.05 0.00 0.00 175.02 176.24 2jjk s LEU 186 N 0.08 4.14 -0.47 4.11 2.96 0.55 -0.12 118.68 129.92 2jjk s LEU 186 Ca 0.28 1.49 -0.20 0.00 -0.22 0.00 0.00 54.13 55.48 2jjk s LEU 186 Cb -0.16 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.02 2jjk s LEU 186 CO 0.13 -0.68 0.64 -0.62 -1.32 0.00 0.00 176.35 174.50 2jjk s ASP 187 N 1.42 6.27 0.24 3.68 -1.08 0.45 -4.62 116.67 123.02 2jjk s ASP 187 Ca 0.48 -0.62 0.25 0.00 -0.52 0.00 0.00 52.55 52.14 2jjk s ASP 187 Cb -0.17 -2.31 0.85 0.00 -1.46 0.00 0.00 42.92 39.83 2jjk s ASP 187 CO 0.10 -0.84 1.76 -0.81 0.52 0.00 0.00 175.17 175.89 2jjk n PRO 188 N 6.25 0.26 -0.31 4.34 -0.04 -1.26 -0.77 135.00 143.47 2jjk n PRO 188 Ca -0.04 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 2jjk n PRO 188 Cb 0.47 -1.84 0.34 0.00 -0.04 0.00 0.00 33.50 32.42 2jjk n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jjk h ALA 189 N 2.43 1.74 0.00 0.55 0.00 -1.96 -3.27 119.26 118.74 2jjk h ALA 189 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jjk h ALA 189 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jjk h ALA 189 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 2jjk n ILE 190 N -4.60 0.00 -3.06 0.00 -5.35 -1.07 -5.02 119.36 100.26 2jjk n ILE 190 Ca 0.19 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 62.13 2jjk n ILE 190 Cb 0.45 1.15 0.04 0.00 -1.74 0.00 0.00 39.64 39.54 2jjk n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jjk n GLY 191 N 0.14 0.19 3.09 3.28 0.00 0.06 -5.03 105.19 106.91 2jjk n GLY 191 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 2jjk n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jjk s GLU 192 N -5.67 1.30 -0.37 1.61 2.56 -1.09 -4.98 118.70 112.06 2jjk s GLU 192 Ca 0.30 -0.49 -0.23 0.00 0.00 0.00 0.00 54.97 54.55 2jjk s GLU 192 Cb -0.13 -1.20 0.01 0.00 2.00 0.00 0.00 34.13 34.81 2jjk s GLU 192 CO 0.37 0.24 0.78 -0.06 -0.56 0.00 0.00 175.26 176.03 2jjk s PHE 193 N -0.09 3.11 -0.18 5.30 0.08 -1.26 -0.41 117.98 124.52 2jjk s PHE 193 Ca 0.01 0.52 -0.08 0.00 0.12 0.00 0.00 56.93 57.49 2jjk s PHE 193 Cb -0.08 -3.41 -0.04 0.00 -0.57 0.00 0.00 43.02 38.92 2jjk s PHE 193 CO 0.00 -0.75 0.10 0.42 -0.10 0.00 0.00 175.22 174.90 2jjk s ILE 194 N 3.09 5.13 -0.12 0.64 -1.09 0.83 -1.36 121.20 128.32 2jjk s ILE 194 Ca 0.31 0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.52 2jjk s ILE 194 Cb -0.13 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 2jjk s ILE 194 CO 0.17 0.47 1.41 -0.22 -1.23 0.00 0.00 174.94 175.54 2jjk s LEU 195 N 0.19 4.24 -0.01 2.97 2.96 -0.34 -0.03 118.68 128.66 2jjk s LEU 195 Ca 0.07 1.90 0.02 0.00 -0.22 0.00 0.00 54.13 55.90 2jjk s LEU 195 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 2jjk s LEU 195 CO -0.00 -0.82 0.03 1.33 -1.32 0.00 0.00 176.35 175.57 2jjk n VAL 196 N 5.38 0.06 -3.60 1.68 0.24 -0.11 -4.73 118.33 117.25 2jjk n VAL 196 Ca 0.15 -0.07 -0.23 0.00 -2.04 0.00 0.00 64.34 62.15 2jjk n VAL 196 Cb 0.44 -0.20 -0.16 0.00 -1.47 0.00 0.00 33.84 32.45 2jjk n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2jjk s ASP 197 N -2.72 1.88 0.05 -1.34 1.01 -1.13 -5.02 116.67 109.41 2jjk s ASP 197 Ca -0.01 -0.37 -0.08 0.00 0.71 0.00 0.00 52.55 52.80 2jjk s ASP 197 Cb 0.01 -0.08 -0.05 0.00 1.01 0.00 0.00 42.92 43.81 2jjk s ASP 197 CO 0.09 -0.32 0.35 -0.54 0.21 0.00 0.00 175.17 174.95 2jjk s LYS 198 N 2.19 3.69 -1.32 8.23 1.02 -1.26 -0.77 119.74 131.51 2jjk s LYS 198 Ca 0.03 0.07 -0.21 0.00 0.02 0.00 0.00 55.97 55.89 2jjk s LYS 198 Cb -0.15 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 2jjk s LYS 198 CO -0.08 0.59 0.48 -3.47 -0.92 0.00 0.00 175.35 171.95 2jjk n ASP 199 N 0.96 -2.47 -4.76 2.83 -0.08 -0.51 -4.80 116.55 107.72 2jjk n ASP 199 Ca -0.09 -1.24 -0.41 0.00 -1.51 0.00 0.00 54.79 51.54 2jjk n ASP 199 Cb 0.52 -1.94 -0.03 0.00 2.34 0.00 0.00 41.12 42.02 2jjk n ASP 199 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2jjk s VAL 200 N -3.80 3.00 -0.07 5.18 1.01 0.46 -4.83 120.40 121.35 2jjk s VAL 200 Ca 0.31 0.96 0.01 0.00 0.00 0.00 0.00 61.98 63.27 2jjk s VAL 200 Cb -0.16 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2jjk s VAL 200 CO 0.96 0.21 -0.09 -0.54 0.00 0.00 0.00 175.10 175.64 2jjk s LYS 201 N -1.35 1.42 0.45 2.72 -0.14 -1.26 -4.39 119.74 117.18 2jjk s LYS 201 Ca 0.49 -0.30 -0.23 0.00 -1.36 0.00 0.00 55.97 54.58 2jjk s LYS 201 Cb -0.37 -1.27 -0.08 0.00 -1.68 0.00 0.00 37.83 34.43 2jjk s LYS 201 CO 0.47 -0.05 1.13 -1.50 -0.76 0.00 0.00 175.35 174.64 2jjk s ILE 202 N 0.90 3.28 0.33 2.17 2.07 -0.25 -4.98 121.20 124.72 2jjk s ILE 202 Ca -0.11 0.96 -0.25 0.00 -1.41 0.00 0.00 60.65 59.85 2jjk s ILE 202 Cb -0.15 -3.49 -0.14 0.00 0.13 0.00 0.00 42.46 38.81 2jjk s ILE 202 CO 0.01 -0.02 0.59 0.29 -1.91 0.00 0.00 174.94 173.90 2jjk n LYS 203 N -0.40 0.53 -0.20 3.50 5.02 -1.26 -4.88 118.16 120.47 2jjk n LYS 203 Ca 0.07 0.19 -0.07 0.00 -2.02 0.00 0.00 58.31 56.48 2jjk n LYS 203 Cb 0.49 -1.39 0.03 0.00 -0.02 0.00 0.00 35.03 34.13 2jjk n LYS 203 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jjk h LYS 204 N 1.05 0.82 -3.44 1.97 3.64 -1.95 -3.39 116.57 115.29 2jjk h LYS 204 Ca -0.37 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 58.71 2jjk h LYS 204 Cb 1.40 -0.15 -0.25 0.00 -0.41 0.00 0.00 32.23 32.82 2jjk h LYS 204 CO 0.54 0.67 -0.55 0.21 -2.27 0.00 0.00 179.45 178.05 2jjk s LYS 205 N -5.72 0.22 0.00 1.90 2.20 -1.26 -1.57 119.74 115.51 2jjk s LYS 205 Ca -0.13 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 2jjk s LYS 205 Cb 0.13 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 2jjk s LYS 205 CO 0.78 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 176.14 2jjk n GLY 206 N 2.69 4.99 0.24 5.54 0.00 -1.26 -4.77 105.19 112.61 2jjk n GLY 206 Ca -0.15 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.77 2jjk n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jjk n LYS 207 N -0.13 0.02 -4.70 1.61 5.02 -1.26 -4.75 118.16 113.96 2jjk n LYS 207 Ca 0.00 -0.75 -0.25 0.00 -2.02 0.00 0.00 58.31 55.29 2jjk n LYS 207 Cb 0.00 -0.51 -0.16 0.00 -0.02 0.00 0.00 35.03 34.34 2jjk n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jjk s ILE 208 N -0.01 1.25 0.06 -0.18 1.01 -1.26 -1.34 121.20 120.72 2jjk s ILE 208 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.12 2jjk s ILE 208 Cb 0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2jjk s ILE 208 CO 0.00 0.37 -0.13 -0.72 0.00 0.00 0.00 174.94 174.46 2jjk s TYR 209 N 0.26 2.69 -0.16 3.97 1.13 -0.64 -0.97 117.35 123.63 2jjk s TYR 209 Ca -0.07 -0.17 -0.04 0.00 -1.41 0.00 0.00 57.07 55.37 2jjk s TYR 209 Cb -0.12 -1.48 0.06 0.00 -1.10 0.00 0.00 41.96 39.31 2jjk s TYR 209 CO 0.03 0.35 0.08 0.45 -2.51 0.00 0.00 175.55 173.95 2jjk s SER 210 N -1.75 2.24 0.07 -0.18 0.15 -0.03 -2.71 113.70 111.49 2jjk s SER 210 Ca 0.18 -0.54 -0.27 0.00 0.70 0.00 0.00 55.95 56.02 2jjk s SER 210 Cb -0.11 -0.26 0.08 0.00 -1.71 0.00 0.00 66.02 64.03 2jjk s SER 210 CO 0.09 -0.33 0.83 -1.48 1.20 0.00 0.00 173.24 173.55 2jjk s LEU 211 N 2.12 -0.37 -0.60 3.45 2.34 -1.26 0.03 118.68 124.39 2jjk s LEU 211 Ca 0.02 -0.10 -0.28 0.00 0.06 0.00 0.00 54.13 53.84 2jjk s LEU 211 Cb -0.16 2.20 0.01 0.00 -0.56 0.00 0.00 46.19 47.69 2jjk s LEU 211 CO -0.08 -0.78 1.44 0.21 -1.06 0.00 0.00 176.35 176.08 2jjk s ASN 212 N -2.64 6.04 0.00 1.48 3.84 -1.26 -4.85 114.94 117.55 2jjk s ASN 212 Ca 0.06 0.16 0.31 0.00 0.21 0.00 0.00 52.86 53.59 2jjk s ASN 212 Cb -0.01 -2.55 1.66 0.00 -0.55 0.00 0.00 41.25 39.80 2jjk s ASN 212 CO -0.07 -1.81 2.12 -0.62 -2.79 0.00 0.00 177.10 173.93 2jjk n GLU 213 N 8.85 0.65 0.26 0.43 1.02 -1.26 -3.01 120.64 127.58 2jjk n GLU 213 Ca 0.12 -0.01 0.17 0.00 -0.02 0.00 0.00 57.16 57.42 2jjk n GLU 213 Cb 0.49 -1.50 0.78 0.00 -0.02 0.00 0.00 31.44 31.20 2jjk n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2jjk h GLY 214 N 5.00 0.00 -2.81 0.62 0.00 -2.07 -2.70 103.07 101.12 2jjk h GLY 214 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2jjk h GLY 214 CO 0.00 0.00 0.01 -1.72 0.00 0.00 0.00 176.54 174.83 2jjk n TYR 215 N -2.86 1.49 -0.16 5.60 4.01 -1.16 -4.67 117.16 119.41 2jjk n TYR 215 Ca -0.00 -0.54 0.03 0.00 -0.16 0.00 0.00 57.90 57.23 2jjk n TYR 215 Cb 0.20 -0.40 0.31 0.00 -0.31 0.00 0.00 39.34 39.15 2jjk n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jjk h ALA 216 N 3.35 1.58 -0.19 -0.72 0.00 -1.71 -0.99 119.26 120.57 2jjk h ALA 216 Ca 0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2jjk h ALA 216 Cb 1.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jjk h ALA 216 CO 0.36 0.37 0.19 -0.22 0.00 0.00 0.00 179.25 179.95 2jjk h LYS 217 N 0.85 0.00 0.00 0.00 3.64 -1.87 -2.47 116.57 116.72 2jjk h LYS 217 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2jjk h LYS 217 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2jjk h LYS 217 CO -0.06 0.00 -1.26 -0.25 -2.27 0.00 0.00 179.45 175.60 2jjk n ASP 218 N -3.91 0.54 -4.76 4.20 8.00 -0.40 -5.01 116.55 115.21 2jjk n ASP 218 Ca 0.02 -0.24 -0.39 0.00 0.71 0.00 0.00 54.79 54.88 2jjk n ASP 218 Cb 0.32 1.10 0.02 0.00 -0.02 0.00 0.00 41.12 42.54 2jjk n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jjk s PHE 219 N -3.26 2.43 0.52 1.24 0.08 -0.93 -4.59 117.98 113.47 2jjk s PHE 219 Ca 0.01 1.33 -0.21 0.00 0.12 0.00 0.00 56.93 58.18 2jjk s PHE 219 Cb 0.14 -3.83 -0.06 0.00 -0.57 0.00 0.00 43.02 38.71 2jjk s PHE 219 CO 0.84 -2.79 1.25 -0.51 -0.10 0.00 0.00 175.22 173.90 2jjk s ASP 220 N -0.75 5.60 0.57 1.36 1.01 -1.26 -4.84 116.67 118.36 2jjk s ASP 220 Ca 0.65 2.49 0.26 0.00 0.71 0.00 0.00 52.55 56.66 2jjk s ASP 220 Cb -0.41 -2.61 1.59 0.00 1.01 0.00 0.00 42.92 42.50 2jjk s ASP 220 CO 0.51 -1.32 2.15 1.55 0.21 0.00 0.00 175.17 178.26 2jjk h PRO 221 N 1.54 0.00 -0.41 8.23 0.13 -1.98 -1.48 132.00 138.02 2jjk h PRO 221 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 2jjk h PRO 221 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2jjk h PRO 221 CO 0.58 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.36 2jjk h ALA 222 N 1.88 1.24 0.00 -0.56 0.00 -1.90 -1.22 119.26 118.70 2jjk h ALA 222 Ca 0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2jjk h ALA 222 Cb 0.30 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jjk h ALA 222 CO -0.00 0.51 -0.43 0.28 0.00 0.00 0.00 179.25 179.61 2jjk h VAL 223 N 0.62 1.49 -0.61 0.00 2.07 -1.65 -2.56 116.25 115.62 2jjk h VAL 223 Ca 0.13 -2.03 0.13 0.00 0.82 0.00 0.00 66.70 65.74 2jjk h VAL 223 Cb 0.38 2.71 -0.11 0.00 -1.52 0.00 0.00 31.29 32.75 2jjk h VAL 223 CO 0.01 0.57 -0.04 0.74 0.02 0.00 0.00 177.57 178.87 2jjk h THR 224 N -0.32 0.46 0.12 2.57 2.02 -1.39 -0.99 112.91 115.38 2jjk h THR 224 Ca -0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2jjk h THR 224 Cb 1.17 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2jjk h THR 224 CO 0.08 0.01 -0.06 -0.08 0.37 0.00 0.00 175.52 175.85 2jjk h GLU 225 N 0.08 -0.15 -0.39 6.66 4.81 -1.27 -1.55 114.58 122.76 2jjk h GLU 225 Ca 0.31 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.63 2jjk h GLU 225 Cb 0.51 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 2jjk h GLU 225 CO -0.56 0.01 -0.01 -0.92 -0.73 0.00 0.00 179.01 176.81 2jjk h TYR 226 N -0.29 -0.04 -0.72 0.92 3.20 -1.09 -0.11 116.97 118.84 2jjk h TYR 226 Ca -0.02 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.95 2jjk h TYR 226 Cb 0.24 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 2jjk h TYR 226 CO -0.03 -0.09 0.41 0.82 -1.64 0.00 0.00 178.16 177.64 2jjk h ILE 227 N 0.09 0.98 -0.70 1.81 1.08 -1.15 -1.91 117.51 117.72 2jjk h ILE 227 Ca 0.19 -0.26 0.08 0.00 -0.39 0.00 0.00 64.86 64.49 2jjk h ILE 227 Cb 0.28 0.16 -0.07 0.00 -3.07 0.00 0.00 36.82 34.12 2jjk h ILE 227 CO -0.33 0.14 0.36 1.56 -0.69 0.00 0.00 178.15 179.18 2jjk h GLN 228 N 0.75 0.60 -0.57 2.37 1.08 0.00 0.15 115.11 119.49 2jjk h GLN 228 Ca 0.32 -0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.63 2jjk h GLN 228 Cb 0.20 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 2jjk h GLN 228 CO -0.19 0.40 0.40 0.00 -0.95 0.00 0.00 178.83 178.49 2jjk h ARG 229 N 0.62 0.15 -0.15 1.46 3.08 -0.49 0.13 114.38 119.18 2jjk h ARG 229 Ca 0.34 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 60.16 2jjk h ARG 229 Cb 0.32 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.35 2jjk h ARG 229 CO -0.25 0.10 -0.77 0.87 -1.07 0.00 0.00 179.97 178.84 2jjk h LYS 230 N 0.15 0.78 0.00 0.04 1.79 -0.23 -2.96 116.57 116.15 2jjk h LYS 230 Ca 0.27 -0.64 -0.18 0.00 -2.18 0.00 0.00 60.65 57.93 2jjk h LYS 230 Cb 0.88 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.63 2jjk h LYS 230 CO -0.04 1.24 -1.16 0.87 -1.08 0.00 0.00 179.45 179.29 2jjk h LYS 231 N 0.53 0.00 -2.75 3.15 1.57 -0.97 -1.72 116.57 116.39 2jjk h LYS 231 Ca -0.05 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.12 2jjk h LYS 231 Cb 1.40 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.31 2jjk h LYS 231 CO 0.16 0.50 -0.79 -0.06 -0.57 0.00 0.00 179.45 178.70 2jjk s PHE 232 N -2.84 2.05 0.21 -1.35 0.08 0.42 -4.73 117.98 111.83 2jjk s PHE 232 Ca -0.01 -2.62 -0.31 0.00 0.12 0.00 0.00 56.93 54.11 2jjk s PHE 232 Cb 0.08 -1.71 -0.10 0.00 -0.57 0.00 0.00 43.02 40.72 2jjk s PHE 232 CO 0.80 -0.73 1.52 -2.14 -0.10 0.00 0.00 175.22 174.57 2jjk s PRO 233 N -0.27 4.22 0.45 0.24 0.02 -1.12 -4.36 135.00 134.19 2jjk s PRO 233 Ca 0.26 2.37 0.25 0.00 0.02 0.00 0.00 61.00 63.90 2jjk s PRO 233 Cb -0.07 -3.12 0.93 0.00 0.02 0.00 0.00 34.50 32.26 2jjk s PRO 233 CO -0.13 -0.54 1.83 -1.35 -0.33 0.00 0.00 177.00 176.48 2jjk h PRO 234 N 5.87 0.00 -0.65 5.54 0.11 -1.94 -2.81 132.00 138.11 2jjk h PRO 234 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2jjk h PRO 234 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jjk h PRO 234 CO 0.85 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 2jjk n ASP 235 N -3.32 4.50 -1.39 -2.05 5.68 -1.26 -4.95 116.55 113.76 2jjk n ASP 235 Ca 0.00 -2.34 -0.18 0.00 -0.50 0.00 0.00 54.79 51.78 2jjk n ASP 235 Cb 0.42 -0.55 -0.07 0.00 -1.14 0.00 0.00 41.12 39.79 2jjk n ASP 235 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2jjk n ASN 236 N 1.20 -5.14 -3.36 -1.12 4.05 -1.06 -5.00 115.26 104.82 2jjk n ASN 236 Ca 0.25 0.42 -0.23 0.00 0.45 0.00 0.00 54.58 55.47 2jjk n ASN 236 Cb 0.81 -4.21 0.18 0.00 1.23 0.00 0.00 39.78 37.80 2jjk n ASN 236 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2jjk n SER 237 N -0.89 -1.13 -4.77 1.20 3.41 -1.26 -5.01 113.62 105.16 2jjk n SER 237 Ca -0.18 -1.14 -0.39 0.00 -0.26 0.00 0.00 58.87 56.90 2jjk n SER 237 Cb 0.59 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 2jjk n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jjk s ALA 238 N -3.37 3.36 0.45 7.33 0.00 -1.26 -4.63 121.76 123.63 2jjk s ALA 238 Ca 0.56 0.46 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 2jjk s ALA 238 Cb -0.04 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 2jjk s ALA 238 CO 0.41 0.25 1.19 -2.30 0.00 0.00 0.00 175.76 175.31 2jjk n PRO 239 N 1.24 1.69 -1.97 0.00 -0.02 -1.26 -4.90 135.00 129.77 2jjk n PRO 239 Ca -0.02 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 2jjk n PRO 239 Cb 0.49 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2jjk n PRO 239 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2jjk s TYR 240 N -1.25 2.57 0.58 6.00 1.51 -0.65 -5.02 117.35 121.09 2jjk s TYR 240 Ca 0.64 1.55 -0.07 0.00 -1.01 0.00 0.00 57.07 58.17 2jjk s TYR 240 Cb -0.50 -3.28 -0.01 0.00 -0.11 0.00 0.00 41.96 38.06 2jjk s TYR 240 CO 0.56 -1.78 0.91 0.20 -1.11 0.00 0.00 175.55 174.33 2jjk s GLY 241 N -2.08 1.59 -0.04 0.71 0.00 -0.45 -4.83 107.32 102.21 2jjk s GLY 241 Ca 0.71 -0.53 0.06 0.00 0.00 0.00 0.00 44.72 44.97 2jjk s GLY 241 CO 0.35 -0.27 -0.23 0.00 0.00 0.00 0.00 173.10 172.95 2jjk s ALA 242 N -2.99 2.28 -0.01 3.20 0.00 -1.26 -1.63 121.76 121.35 2jjk s ALA 242 Ca 0.53 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2jjk s ALA 242 Cb -0.11 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 2jjk s ALA 242 CO 0.47 0.50 -0.06 1.03 0.00 0.00 0.00 175.76 177.70 2jjk s ARG 243 N -0.49 0.56 -0.37 0.00 1.81 -1.10 -4.97 118.95 114.38 2jjk s ARG 243 Ca 0.06 -0.21 0.05 0.00 -1.72 0.00 0.00 55.73 53.91 2jjk s ARG 243 Cb -0.11 -0.54 0.17 0.00 -0.45 0.00 0.00 34.95 34.01 2jjk s ARG 243 CO 0.01 0.11 0.50 -0.47 -0.68 0.00 0.00 175.30 174.76 2jjk s TYR 244 N -0.01 -1.06 0.15 -0.53 5.04 -1.26 -4.20 117.35 115.48 2jjk s TYR 244 Ca 0.01 -0.14 -0.14 0.00 -2.44 0.00 0.00 57.07 54.36 2jjk s TYR 244 Cb -0.04 -0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.26 2jjk s TYR 244 CO -0.00 -1.06 1.71 0.28 -1.34 0.00 0.00 175.55 175.13 2jjk h VAL 245 N 5.22 1.21 0.00 3.14 2.07 -1.97 -3.47 116.25 122.44 2jjk h VAL 245 Ca 0.03 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2jjk h VAL 245 Cb 1.12 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2jjk h VAL 245 CO 0.16 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.61 2jjk n GLY 246 N -0.81 0.60 3.28 2.17 0.00 -1.26 -5.04 105.19 104.14 2jjk n GLY 246 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2jjk n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jjk s SER 247 N -2.99 4.53 0.27 1.61 0.15 -1.26 -4.93 113.70 111.08 2jjk s SER 247 Ca 0.00 -0.63 -0.01 0.00 0.70 0.00 0.00 55.95 56.01 2jjk s SER 247 Cb 0.00 -1.75 0.52 0.00 -1.71 0.00 0.00 66.02 63.08 2jjk s SER 247 CO 0.00 -0.10 1.79 -0.03 1.20 0.00 0.00 173.24 176.10 2jjk h MET 248 N 8.11 0.74 -0.46 5.44 4.05 -1.92 -1.78 114.93 129.11 2jjk h MET 248 Ca -0.36 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 58.97 2jjk h MET 248 Cb 1.13 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.75 2jjk h MET 248 CO 0.59 0.49 0.10 0.28 0.23 0.00 0.00 176.91 178.60 2jjk h VAL 249 N 0.76 1.24 -0.53 -5.77 2.07 -1.93 0.13 116.25 112.22 2jjk h VAL 249 Ca 0.47 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2jjk h VAL 249 Cb 0.57 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2jjk h VAL 249 CO -0.31 0.30 0.15 0.00 0.02 0.00 0.00 177.57 177.73 2jjk h ALA 250 N 0.96 0.70 -0.05 1.67 0.00 -1.67 -0.83 119.26 120.06 2jjk h ALA 250 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jjk h ALA 250 Cb 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jjk h ALA 250 CO 0.00 0.38 -0.01 -0.44 0.00 0.00 0.00 179.25 179.19 2jjk h ASP 251 N 0.74 0.09 -0.70 0.00 3.32 -1.06 -2.03 116.42 116.78 2jjk h ASP 251 Ca 0.17 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 2jjk h ASP 251 Cb 0.31 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 2jjk h ASP 251 CO -0.00 0.42 0.32 0.58 -1.72 0.00 0.00 179.24 178.84 2jjk h VAL 252 N -0.25 1.24 -0.33 -1.35 2.07 -0.73 -1.22 116.25 115.68 2jjk h VAL 252 Ca 0.01 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 2jjk h VAL 252 Cb 0.38 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2jjk h VAL 252 CO 0.00 0.29 -0.22 -0.74 0.02 0.00 0.00 177.57 176.93 2jjk h HIS 253 N 1.03 0.85 -0.70 1.57 -0.00 -1.09 0.13 115.15 116.94 2jjk h HIS 253 Ca 0.25 -0.23 0.07 0.00 -0.00 0.00 0.00 60.37 60.46 2jjk h HIS 253 Cb 0.14 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.32 2jjk h HIS 253 CO 0.01 0.96 0.46 -0.09 -0.00 0.00 0.00 177.93 179.28 2jjk h ARG 254 N 0.49 0.69 -0.60 5.26 2.43 -1.22 -0.29 114.38 121.14 2jjk h ARG 254 Ca 0.07 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2jjk h ARG 254 Cb 0.77 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2jjk h ARG 254 CO 0.06 0.46 -0.02 1.15 -1.51 0.00 0.00 179.97 180.11 2jjk h THR 255 N 0.71 1.27 -0.64 0.20 2.02 0.00 0.19 112.91 116.66 2jjk h THR 255 Ca 0.31 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 2jjk h THR 255 Cb 0.28 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2jjk h THR 255 CO -0.10 0.43 0.24 0.25 0.37 0.00 0.00 175.52 176.70 2jjk h LEU 256 N 0.96 0.90 0.11 2.58 5.85 -0.25 -0.30 115.31 125.16 2jjk h LEU 256 Ca 0.17 -0.18 -0.23 0.00 0.84 0.00 0.00 57.88 58.47 2jjk h LEU 256 Cb 0.59 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 41.40 2jjk h LEU 256 CO 0.03 0.84 -0.98 0.58 -0.34 0.00 0.00 178.44 178.58 2jjk h VAL 257 N 0.91 1.39 -0.00 1.05 2.07 -0.82 -3.38 116.25 117.47 2jjk h VAL 257 Ca 0.21 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2jjk h VAL 257 Cb 0.24 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2jjk h VAL 257 CO -0.01 0.71 -0.49 -1.22 0.02 0.00 0.00 177.57 176.57 2jjk n TYR 258 N -4.00 0.00 -0.19 1.57 4.01 0.65 -4.91 117.16 114.29 2jjk n TYR 258 Ca -0.13 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.63 2jjk n TYR 258 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.89 2jjk n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jjk n GLY 259 N 1.21 -1.76 0.00 2.72 0.00 -0.12 -4.65 105.19 102.59 2jjk n GLY 259 Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2jjk n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjk n GLY 260 N -2.21 0.40 2.94 -0.02 0.00 -1.26 -4.46 105.19 100.58 2jjk n GLY 260 Ca -0.00 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 2jjk n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jjk s ILE 261 N -0.25 0.11 -0.05 -0.61 2.07 -0.14 -0.71 121.20 121.61 2jjk s ILE 261 Ca 0.00 -0.48 0.04 0.00 -1.41 0.00 0.00 60.65 58.80 2jjk s ILE 261 Cb 0.00 -0.18 -0.00 0.00 0.13 0.00 0.00 42.46 42.41 2jjk s ILE 261 CO 0.00 -0.23 -0.18 0.12 -1.91 0.00 0.00 174.94 172.73 2jjk s PHE 262 N -0.73 1.89 -0.07 3.50 5.36 0.15 -0.85 117.98 127.22 2jjk s PHE 262 Ca -0.07 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.30 2jjk s PHE 262 Cb -0.05 -1.27 0.02 0.00 -0.34 0.00 0.00 43.02 41.38 2jjk s PHE 262 CO -0.00 -0.22 -0.05 -0.51 -1.46 0.00 0.00 175.22 172.98 2jjk s LEU 263 N 0.13 1.09 -0.48 6.12 1.02 0.10 -0.14 118.68 126.53 2jjk s LEU 263 Ca -0.07 -0.17 0.03 0.00 0.02 0.00 0.00 54.13 53.93 2jjk s LEU 263 Cb -0.13 -0.58 0.14 0.00 0.02 0.00 0.00 46.19 45.64 2jjk s LEU 263 CO 0.03 -0.11 0.29 -0.47 0.02 0.00 0.00 176.35 176.12 2jjk s TYR 264 N 1.42 2.13 0.64 0.29 6.14 0.45 -4.34 117.35 124.07 2jjk s TYR 264 Ca -0.02 -2.56 -0.04 0.00 0.64 0.00 0.00 57.07 55.08 2jjk s TYR 264 Cb -0.13 -1.90 0.04 0.00 0.42 0.00 0.00 41.96 40.38 2jjk s TYR 264 CO -0.03 -0.75 0.92 -1.25 0.64 0.00 0.00 175.55 175.08 2jjk s PRO 265 N 0.04 2.46 0.44 4.97 0.04 -1.26 -1.87 135.00 139.82 2jjk s PRO 265 Ca 0.21 -0.33 -0.26 0.00 0.04 0.00 0.00 61.00 60.66 2jjk s PRO 265 Cb -0.18 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 2jjk s PRO 265 CO -0.05 -0.97 1.44 0.00 0.04 0.00 0.00 177.00 177.46 2jjk s ALA 266 N -3.06 3.28 0.00 8.56 0.00 -1.26 -4.55 121.76 124.73 2jjk s ALA 266 Ca 0.58 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2jjk s ALA 266 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2jjk s ALA 266 CO 0.43 -1.18 0.00 0.27 0.00 0.00 0.00 175.76 175.28 2jjk n ASN 267 N -0.11 0.00 -0.10 0.00 0.23 0.10 -4.55 115.26 110.82 2jjk n ASN 267 Ca 0.05 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.88 2jjk n ASN 267 Cb 0.41 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.01 2jjk n ASN 267 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2jjk n LYS 268 N 0.00 0.56 -0.02 -3.83 4.81 -1.26 -3.43 118.16 114.99 2jjk n LYS 268 Ca 0.00 0.56 -0.02 0.00 -0.87 0.00 0.00 58.31 57.98 2jjk n LYS 268 Cb 0.00 -1.73 0.25 0.00 0.02 0.00 0.00 35.03 33.57 2jjk n LYS 268 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2jjk h LYS 269 N -1.00 0.56 -2.92 1.64 1.57 -1.99 -3.36 116.57 111.08 2jjk h LYS 269 Ca -0.35 -0.15 -0.61 0.00 -1.87 0.00 0.00 60.65 57.67 2jjk h LYS 269 Cb 1.27 -0.07 -0.41 0.00 0.08 0.00 0.00 32.23 33.10 2jjk h LYS 269 CO -0.21 0.64 -0.70 -1.12 -0.57 0.00 0.00 179.45 177.49 2jjk s SER 270 N -6.74 3.80 0.60 0.86 0.01 -1.26 -4.97 113.70 106.01 2jjk s SER 270 Ca -0.08 -3.43 0.38 0.00 1.31 0.00 0.00 55.95 54.13 2jjk s SER 270 Cb 0.15 -1.26 1.86 0.00 0.21 0.00 0.00 66.02 66.98 2jjk s SER 270 CO 0.78 -0.14 2.17 1.55 0.41 0.00 0.00 173.24 178.01 2jjk h PRO 271 N 5.72 0.00 -0.39 12.44 0.13 -1.71 0.29 132.00 148.48 2jjk h PRO 271 Ca 0.14 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.12 2jjk h PRO 271 Cb 0.83 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.87 2jjk h PRO 271 CO 0.60 0.02 0.03 0.09 -0.23 0.00 0.00 178.00 178.51 2jjk n ASN 272 N -3.16 3.23 -0.09 1.44 5.03 -1.26 -4.58 115.26 115.88 2jjk n ASN 272 Ca -0.01 -3.45 0.01 0.00 0.87 0.00 0.00 54.58 51.99 2jjk n ASN 272 Cb 0.19 -0.63 -0.00 0.00 -1.02 0.00 0.00 39.78 38.32 2jjk n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jjk n GLY 273 N -0.85 -1.76 0.05 7.41 0.00 -1.01 -2.44 105.19 106.59 2jjk n GLY 273 Ca 0.32 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 2jjk n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jjk n LYS 274 N -2.15 1.51 -2.17 1.61 4.81 -1.26 -4.62 118.16 115.89 2jjk n LYS 274 Ca -0.00 0.03 -0.34 0.00 -0.87 0.00 0.00 58.31 57.13 2jjk n LYS 274 Cb 0.04 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 33.85 2jjk n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2jjk s LEU 275 N -5.14 3.63 -0.19 3.14 1.43 -1.26 -4.81 118.68 115.48 2jjk s LEU 275 Ca -0.10 1.97 -0.20 0.00 -1.03 0.00 0.00 54.13 54.77 2jjk s LEU 275 Cb 0.03 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 2jjk s LEU 275 CO 0.34 -1.16 0.58 -0.13 0.23 0.00 0.00 176.35 176.20 2jjk s ARG 276 N -3.66 4.22 0.11 1.70 1.81 -1.26 -1.31 118.95 120.56 2jjk s ARG 276 Ca 0.67 0.53 -0.31 0.00 -1.72 0.00 0.00 55.73 54.91 2jjk s ARG 276 Cb -0.19 -3.55 -0.11 0.00 -0.45 0.00 0.00 34.95 30.65 2jjk s ARG 276 CO 0.31 -0.16 1.59 1.25 -0.68 0.00 0.00 175.30 177.61 2jjk h LEU 277 N 7.91 -1.24 -1.39 2.53 5.85 -1.30 -0.07 115.31 127.61 2jjk h LEU 277 Ca -0.33 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 2jjk h LEU 277 Cb 1.15 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 2jjk h LEU 277 CO 0.76 -0.50 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.12 2jjk h LEU 278 N -0.67 0.18 -1.43 2.25 3.38 -1.79 0.41 115.31 117.65 2jjk h LEU 278 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jjk h LEU 278 Cb 0.69 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2jjk h LEU 278 CO -0.23 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.67 2jjk n TYR 279 N -4.25 0.00 0.03 1.13 4.11 -1.21 -4.57 117.16 112.40 2jjk n TYR 279 Ca -0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 57.90 57.78 2jjk n TYR 279 Cb 0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.62 2jjk n TYR 279 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2jjk n GLU 280 N -0.11 0.00 0.28 -3.48 1.02 -0.49 -4.02 120.64 113.84 2jjk n GLU 280 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2jjk n GLU 280 Cb 0.43 -0.23 -0.08 0.00 -0.02 0.00 0.00 31.44 31.54 2jjk n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jjk h ASN 282 N -0.88 0.08 -0.70 0.00 -0.26 -0.40 0.05 115.58 113.48 2jjk h ASN 282 Ca -0.07 0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.64 2jjk h ASN 282 Cb 0.61 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.88 2jjk h ASN 282 CO 0.12 0.08 0.19 -0.65 -1.06 0.00 0.00 177.43 176.11 2jjk h PRO 283 N 0.22 1.10 -0.31 0.81 0.11 -1.81 -1.10 132.00 131.02 2jjk h PRO 283 Ca 0.14 -0.25 -0.09 0.00 0.11 0.00 0.00 66.00 65.91 2jjk h PRO 283 Cb 0.12 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 2jjk h PRO 283 CO -0.16 0.96 -0.20 0.52 -0.21 0.00 0.00 178.00 178.92 2jjk h MET 284 N 1.04 0.57 -0.23 1.05 2.86 -1.17 -1.25 114.93 117.80 2jjk h MET 284 Ca 0.22 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2jjk h MET 284 Cb 0.34 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2jjk h MET 284 CO -0.00 0.74 -0.12 0.00 1.06 0.00 0.00 176.91 178.58 2jjk h ALA 285 N 1.28 1.36 0.06 6.32 0.00 -0.79 -0.55 119.26 126.93 2jjk h ALA 285 Ca 0.08 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2jjk h ALA 285 Cb 0.63 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jjk h ALA 285 CO 0.04 0.44 -0.40 -0.92 0.00 0.00 0.00 179.25 178.41 2jjk h TYR 286 N 0.36 0.29 -0.29 0.00 3.20 -0.46 0.55 116.97 120.63 2jjk h TYR 286 Ca 0.07 -0.20 0.06 0.00 3.14 0.00 0.00 58.73 61.81 2jjk h TYR 286 Cb 0.44 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.63 2jjk h TYR 286 CO 0.01 1.12 -0.15 0.28 -1.64 0.00 0.00 178.16 177.78 2jjk h VAL 287 N -0.62 0.55 -0.21 1.81 2.07 -1.30 0.27 116.25 118.82 2jjk h VAL 287 Ca -0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2jjk h VAL 287 Cb 1.27 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2jjk h VAL 287 CO 0.08 0.00 -0.05 0.24 0.02 0.00 0.00 177.57 177.85 2jjk h MET 288 N -0.11 0.00 -0.60 1.57 2.86 -1.04 -0.84 114.93 116.77 2jjk h MET 288 Ca 0.15 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 2jjk h MET 288 Cb 0.34 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2jjk h MET 288 CO -0.36 0.00 0.07 0.93 1.06 0.00 0.00 176.91 178.61 2jjk h GLU 289 N 0.00 0.99 0.00 1.72 5.08 -0.65 0.53 114.58 122.25 2jjk h GLU 289 Ca 0.10 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2jjk h GLU 289 Cb 0.16 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jjk h GLU 289 CO -0.22 0.93 0.00 0.87 -1.00 0.00 0.00 179.01 179.59 2jjk h LYS 290 N 0.93 0.00 -0.53 2.33 1.79 -0.60 -2.09 116.57 118.40 2jjk h LYS 290 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2jjk h LYS 290 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2jjk h LYS 290 CO 0.02 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.39 2jjk n ALA 291 N -2.03 2.42 -0.86 3.86 0.00 -0.35 -4.31 120.51 119.25 2jjk n ALA 291 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2jjk n ALA 291 Cb 0.25 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2jjk n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjk n GLY 292 N 1.45 0.50 0.00 0.00 0.00 -0.79 -1.09 105.19 105.27 2jjk n GLY 292 Ca 0.20 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2jjk n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjk n GLY 293 N -2.86 2.24 3.21 -0.02 0.00 0.18 -4.50 105.19 103.45 2jjk n GLY 293 Ca 0.00 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 2jjk n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jjk s MET 294 N 0.34 1.16 -0.30 1.61 1.00 -0.67 -4.07 119.30 118.38 2jjk s MET 294 Ca 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 55.69 54.05 2jjk s MET 294 Cb 0.00 0.12 0.17 0.00 0.00 0.00 0.00 34.83 35.12 2jjk s MET 294 CO 0.00 -0.32 0.61 0.00 0.00 0.00 0.00 175.02 175.31 2jjk s ALA 295 N -4.02 -2.14 0.02 3.03 0.00 -1.26 -1.55 121.76 115.85 2jjk s ALA 295 Ca 0.34 1.98 0.02 0.00 0.00 0.00 0.00 51.96 54.31 2jjk s ALA 295 Cb 0.07 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2jjk s ALA 295 CO 0.09 -1.18 -0.07 -0.08 0.00 0.00 0.00 175.76 174.51 2jjk s THR 296 N 2.86 0.54 -0.75 0.00 -1.32 0.34 -2.08 115.64 115.23 2jjk s THR 296 Ca 0.11 -0.64 0.26 0.00 -1.21 0.00 0.00 61.69 60.22 2jjk s THR 296 Cb -0.14 -0.53 0.28 0.00 -1.51 0.00 0.00 72.50 70.61 2jjk s THR 296 CO -0.20 -0.08 1.79 0.35 -2.21 0.00 0.00 174.62 174.26 2jjk n THR 297 N 2.26 0.55 0.00 5.08 -2.24 -0.12 -0.37 114.28 119.44 2jjk n THR 297 Ca -0.17 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2jjk n THR 297 Cb 0.56 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 2jjk n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjk n GLY 298 N 1.27 3.00 0.11 3.38 0.00 -1.26 -4.72 105.19 106.97 2jjk n GLY 298 Ca 0.06 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 2jjk n GLY 298 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jjk n LYS 299 N 0.00 0.68 -3.83 1.61 4.81 -1.26 -4.95 118.16 115.22 2jjk n LYS 299 Ca 0.00 0.20 -0.06 0.00 -0.87 0.00 0.00 58.31 57.57 2jjk n LYS 299 Cb 0.00 -1.67 -0.00 0.00 0.02 0.00 0.00 35.03 33.38 2jjk n LYS 299 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2jjk s GLU 300 N -2.55 1.73 0.33 1.64 -1.05 -1.26 -5.14 118.70 112.40 2jjk s GLU 300 Ca -0.15 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.36 2jjk s GLU 300 Cb 0.07 0.55 -0.11 0.00 -0.44 0.00 0.00 34.13 34.21 2jjk s GLU 300 CO 0.78 -0.80 1.43 0.00 0.95 0.00 0.00 175.26 177.62 2jjk s ALA 301 N -3.22 3.58 0.21 -0.84 0.00 -1.26 -0.95 121.76 119.28 2jjk s ALA 301 Ca 0.13 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.42 2jjk s ALA 301 Cb -0.04 -3.56 0.31 0.00 0.00 0.00 0.00 23.12 19.82 2jjk s ALA 301 CO 0.07 -0.86 1.67 0.28 0.00 0.00 0.00 175.76 176.92 2jjk h VAL 302 N 3.13 0.51 0.00 0.00 2.07 -1.72 -1.35 116.25 118.88 2jjk h VAL 302 Ca -0.49 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2jjk h VAL 302 Cb 1.23 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2jjk h VAL 302 CO 0.68 0.03 0.00 0.18 0.02 0.00 0.00 177.57 178.48 2jjk n LEU 303 N -5.26 0.21 0.04 2.57 4.77 -1.26 -1.63 117.00 116.44 2jjk n LEU 303 Ca 0.09 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.74 2jjk n LEU 303 Cb 0.36 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 2jjk n LEU 303 CO 0.12 -0.40 -0.22 0.47 -1.33 0.00 0.00 177.39 176.04 2jjk n ASP 304 N -1.74 0.52 -4.68 -1.43 8.00 -0.52 -1.08 116.55 115.62 2jjk n ASP 304 Ca 0.03 0.02 -0.45 0.00 0.71 0.00 0.00 54.79 55.09 2jjk n ASP 304 Cb 0.16 1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 42.26 2jjk n ASP 304 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2jjk n VAL 305 N -2.28 0.05 -3.42 2.53 0.31 -0.65 -4.95 118.33 109.93 2jjk n VAL 305 Ca -0.00 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 63.88 2jjk n VAL 305 Cb 0.51 -1.67 -0.09 0.00 -0.91 0.00 0.00 33.84 31.68 2jjk n VAL 305 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2jjk s ILE 306 N 1.24 5.23 0.54 2.52 1.01 -1.26 -4.18 121.20 126.31 2jjk s ILE 306 Ca 0.79 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 2jjk s ILE 306 Cb -0.64 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 37.75 2jjk s ILE 306 CO 0.38 -0.44 1.05 -2.16 0.00 0.00 0.00 174.94 173.77 2jjk s PRO 307 N 1.70 3.54 0.00 2.79 0.04 -1.26 -4.97 135.00 136.85 2jjk s PRO 307 Ca 0.05 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2jjk s PRO 307 Cb -0.21 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2jjk s PRO 307 CO 0.09 -0.64 0.44 0.25 0.04 0.00 0.00 177.00 177.17 2jjk n THR 308 N -1.49 0.00 -3.73 1.26 -2.24 -1.26 -4.68 114.28 102.14 2jjk n THR 308 Ca 0.09 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2jjk n THR 308 Cb 0.53 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.74 2jjk n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jjk s ASP 309 N -0.01 -0.25 0.53 3.42 -1.08 -1.26 -5.05 116.67 112.97 2jjk s ASP 309 Ca 0.00 0.50 0.30 0.00 -0.52 0.00 0.00 52.55 52.83 2jjk s ASP 309 Cb 0.00 0.39 1.42 0.00 -1.46 0.00 0.00 42.92 43.26 2jjk s ASP 309 CO 0.00 -0.16 2.03 0.16 0.52 0.00 0.00 175.17 177.71 2jjk h ILE 310 N 5.89 0.36 -0.54 4.11 3.07 -1.94 -2.43 117.51 126.04 2jjk h ILE 310 Ca -0.41 -0.61 -0.11 0.00 1.55 0.00 0.00 64.86 65.28 2jjk h ILE 310 Cb 1.15 1.45 -0.06 0.00 -0.27 0.00 0.00 36.82 39.09 2jjk h ILE 310 CO 0.38 0.10 0.11 1.41 -1.05 0.00 0.00 178.15 179.10 2jjk n HIS 311 N -3.38 1.83 -1.99 0.16 8.25 -1.26 -4.50 115.22 114.34 2jjk n HIS 311 Ca -0.01 -1.05 -0.35 0.00 -0.26 0.00 0.00 57.72 56.05 2jjk n HIS 311 Cb 0.28 -0.53 0.03 0.00 1.12 0.00 0.00 29.99 30.89 2jjk n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2jjk s GLN 312 N -2.93 2.97 0.14 -0.41 -2.07 -0.92 -4.84 119.66 111.61 2jjk s GLN 312 Ca 0.51 1.70 0.02 0.00 -1.82 0.00 0.00 55.36 55.77 2jjk s GLN 312 Cb 0.41 -1.94 -0.04 0.00 -1.09 0.00 0.00 33.01 30.35 2jjk s GLN 312 CO 0.11 -1.18 0.29 1.03 -1.32 0.00 0.00 175.29 174.22 2jjk s ARG 313 N -3.48 3.45 -0.02 9.60 0.52 -1.26 -0.88 118.95 126.88 2jjk s ARG 313 Ca 0.74 -0.55 -0.07 0.00 -0.52 0.00 0.00 55.73 55.34 2jjk s ARG 313 Cb -0.27 -2.96 0.01 0.00 0.52 0.00 0.00 34.95 32.24 2jjk s ARG 313 CO 0.34 0.52 0.15 0.00 0.02 0.00 0.00 175.30 176.33 2jjk s ALA 314 N -1.73 -0.36 0.47 2.13 0.00 -0.43 -4.73 121.76 117.12 2jjk s ALA 314 Ca 0.35 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.17 2jjk s ALA 314 Cb -0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 2jjk s ALA 314 CO 0.28 -0.17 1.02 -2.14 0.00 0.00 0.00 175.76 174.76 2jjk s PRO 315 N -0.93 3.88 -0.04 0.00 0.02 -1.17 -4.05 135.00 132.72 2jjk s PRO 315 Ca -0.10 1.33 -0.01 0.00 0.02 0.00 0.00 61.00 62.23 2jjk s PRO 315 Cb -0.06 -2.12 0.03 0.00 0.02 0.00 0.00 34.50 32.37 2jjk s PRO 315 CO 0.01 -0.35 0.08 0.54 -0.33 0.00 0.00 177.00 176.95 2jjk s VAL 316 N -2.00 -0.07 -0.12 3.83 0.11 -0.78 -4.07 120.40 117.29 2jjk s VAL 316 Ca 0.66 0.22 -0.00 0.00 -2.93 0.00 0.00 61.98 59.93 2jjk s VAL 316 Cb -0.15 -0.15 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2jjk s VAL 316 CO 0.19 0.09 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.35 2jjk s ILE 317 N 1.21 1.04 0.05 7.04 1.09 0.50 -0.42 121.20 131.71 2jjk s ILE 317 Ca -0.08 -0.35 -0.03 0.00 -1.10 0.00 0.00 60.65 59.09 2jjk s ILE 317 Cb -0.12 -1.09 -0.03 0.00 -1.06 0.00 0.00 42.46 40.16 2jjk s ILE 317 CO -0.04 0.32 0.03 -1.48 -0.10 0.00 0.00 174.94 173.67 2jjk s LEU 318 N 1.70 2.14 0.00 2.97 0.05 0.81 -0.50 118.68 125.84 2jjk s LEU 318 Ca 0.04 -0.79 0.00 0.00 0.05 0.00 0.00 54.13 53.44 2jjk s LEU 318 Cb -0.13 0.42 0.00 0.00 -2.05 0.00 0.00 46.19 44.43 2jjk s LEU 318 CO -0.08 -0.57 0.00 0.61 -0.55 0.00 0.00 176.35 175.76 2jjk n GLY 319 N 0.38 0.56 3.67 -3.48 0.00 -0.60 0.31 105.19 106.05 2jjk n GLY 319 Ca -0.16 -1.47 -0.44 0.00 0.00 0.00 0.00 46.02 43.95 2jjk n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jjk n SER 320 N 0.00 2.57 -0.34 1.61 7.64 0.11 -1.67 113.62 123.54 2jjk n SER 320 Ca 0.00 1.18 0.02 0.00 1.01 0.00 0.00 58.87 61.08 2jjk n SER 320 Cb 0.00 -1.43 0.17 0.00 -1.01 0.00 0.00 64.21 61.93 2jjk n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jjk h PRO 321 N 3.20 1.02 0.00 1.43 0.13 -1.72 0.66 132.00 136.71 2jjk h PRO 321 Ca -0.45 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.52 2jjk h PRO 321 Cb 1.29 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2jjk h PRO 321 CO 0.68 0.67 -0.49 -0.44 -0.23 0.00 0.00 178.00 178.20 2jjk h ASP 322 N 1.05 0.00 -0.18 1.44 5.19 -1.63 0.29 116.42 122.57 2jjk h ASP 322 Ca 0.41 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.64 2jjk h ASP 322 Cb 0.22 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.73 2jjk h ASP 322 CO -0.19 0.49 -0.59 0.44 -3.12 0.00 0.00 179.24 176.27 2jjk h ASP 323 N 0.00 0.83 -0.20 6.45 3.32 -1.52 -2.66 116.42 122.65 2jjk h ASP 323 Ca -0.00 -0.59 -0.04 0.00 0.02 0.00 0.00 57.03 56.42 2jjk h ASP 323 Cb 1.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2jjk h ASP 323 CO 0.06 1.28 -0.01 0.58 -1.72 0.00 0.00 179.24 179.43 2jjk h VAL 324 N 0.43 1.27 -0.80 -1.35 2.07 -0.59 -1.86 116.25 115.41 2jjk h VAL 324 Ca -0.02 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2jjk h VAL 324 Cb 1.21 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 2jjk h VAL 324 CO 0.12 0.28 0.50 -0.07 0.02 0.00 0.00 177.57 178.43 2jjk h LEU 325 N 0.10 0.94 -0.78 2.57 3.38 -1.06 -0.42 115.31 120.03 2jjk h LEU 325 Ca 0.05 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2jjk h LEU 325 Cb 0.43 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2jjk h LEU 325 CO 0.01 0.70 0.12 -0.08 0.09 0.00 0.00 178.44 179.28 2jjk h GLU 326 N 1.09 1.04 -0.27 1.13 4.81 -1.33 0.50 114.58 121.56 2jjk h GLU 326 Ca 0.29 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2jjk h GLU 326 Cb -0.08 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2jjk h GLU 326 CO -0.06 0.95 0.18 0.35 -0.73 0.00 0.00 179.01 179.69 2jjk h PHE 327 N 0.98 0.34 -0.15 0.92 3.57 -0.71 -2.59 116.94 119.31 2jjk h PHE 327 Ca 0.20 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 2jjk h PHE 327 Cb 0.40 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2jjk h PHE 327 CO 0.03 0.23 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.04 2jjk h LEU 328 N 0.36 0.26 -0.64 0.59 3.38 -0.61 -0.22 115.31 118.43 2jjk h LEU 328 Ca 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jjk h LEU 328 Cb -0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2jjk h LEU 328 CO -0.02 0.50 0.41 0.50 0.09 0.00 0.00 178.44 179.91 2jjk h LYS 329 N 0.24 0.86 -0.33 1.13 3.64 0.13 -0.37 116.57 121.88 2jjk h LYS 329 Ca 0.04 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 2jjk h LYS 329 Cb 0.54 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2jjk h LYS 329 CO 0.04 0.60 -0.25 0.28 -2.27 0.00 0.00 179.45 177.84 2jjk h VAL 330 N 0.87 1.29 -0.18 2.00 2.07 -0.98 -3.14 116.25 118.18 2jjk h VAL 330 Ca 0.23 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.37 2jjk h VAL 330 Cb -0.06 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2jjk h VAL 330 CO -0.05 0.46 0.05 0.22 0.02 0.00 0.00 177.57 178.27 2jjk h TYR 331 N 0.52 0.09 0.00 1.57 3.20 -0.88 -2.04 116.97 119.42 2jjk h TYR 331 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2jjk h TYR 331 Cb 0.81 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.07 2jjk h TYR 331 CO 0.07 0.04 0.00 0.39 -1.64 0.00 0.00 178.16 177.02 2jjk n GLU 332 N -5.06 0.13 -0.06 1.82 1.02 -0.16 -1.67 120.64 116.65 2jjk n GLU 332 Ca -0.03 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 57.14 2jjk n GLU 332 Cb 0.07 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.85 2jjk n GLU 332 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jjk n LYS 333 N -1.23 0.68 -0.87 3.49 4.81 -0.78 -4.07 118.16 120.19 2jjk n LYS 333 Ca 0.04 0.18 -0.17 0.00 -0.87 0.00 0.00 58.31 57.49 2jjk n LYS 333 Cb 0.05 -1.64 0.13 0.00 0.02 0.00 0.00 35.03 33.59 2jjk n LYS 333 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2jjk n HIS 334 N -3.15 2.17 0.00 5.64 8.25 -0.67 -4.92 115.22 122.54 2jjk n HIS 334 Ca -0.32 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 55.68 2jjk n HIS 334 Cb 1.06 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2jjk n HIS 334 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jjk n SER 335 N -0.66 0.00 0.00 0.41 2.88 -1.15 -5.00 113.62 110.10 2jjk n SER 335 Ca 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2jjk n SER 335 Cb 1.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 2jjk n SER 335 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81