#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 0.75 -4.37 2.53 3.14 -1.26 -5.00 118.33 114.11 2jjk n VAL 10 Ca 0.00 -0.19 -0.24 0.00 -2.96 0.00 0.00 64.34 60.95 2jjk n VAL 10 Cb 0.00 -1.14 -0.17 0.00 -1.06 0.00 0.00 33.84 31.47 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 0.24 1.74 0.49 6.55 2.47 -1.26 -5.08 114.94 120.08 2jjk s ASN 11 Ca 0.73 -0.27 0.06 0.00 0.42 0.00 0.00 52.86 53.80 2jjk s ASN 11 Cb -0.77 -0.77 0.01 0.00 -1.45 0.00 0.00 41.25 38.27 2jjk s ASN 11 CO 0.49 -0.01 0.35 0.42 -3.72 0.00 0.00 177.10 174.63 2jjk s THR 12 N 0.93 2.00 0.09 -5.21 -4.23 -1.26 -0.21 115.64 107.76 2jjk s THR 12 Ca -0.10 -1.50 -0.17 0.00 -1.18 0.00 0.00 61.69 58.74 2jjk s THR 12 Cb -0.15 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 2jjk s THR 12 CO 0.01 0.00 1.50 0.25 -0.54 0.00 0.00 174.62 175.84 2jjk h LEU 13 N 0.95 0.53 -0.58 4.79 5.85 -1.20 0.40 115.31 126.04 2jjk h LEU 13 Ca -0.39 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.03 2jjk h LEU 13 Cb 1.28 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 2jjk h LEU 13 CO 0.60 0.75 0.31 0.74 -0.34 0.00 0.00 178.44 180.50 2jjk h THR 14 N 0.30 0.98 -0.19 1.05 2.02 -1.96 0.74 112.91 115.84 2jjk h THR 14 Ca 0.07 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2jjk h THR 14 Cb 0.50 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2jjk h THR 14 CO 0.02 0.11 -0.02 -0.09 0.37 0.00 0.00 175.52 175.91 2jjk h ARG 15 N 0.60 0.35 0.29 6.66 2.43 -1.93 -3.10 114.38 119.68 2jjk h ARG 15 Ca 0.25 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2jjk h ARG 15 Cb 0.13 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2jjk h ARG 15 CO -0.16 0.58 -0.20 0.35 -1.51 0.00 0.00 179.97 179.03 2jjk h PHE 16 N 0.09 -0.52 -0.86 2.20 3.57 0.97 -1.56 116.94 120.83 2jjk h PHE 16 Ca 0.05 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2jjk h PHE 16 Cb 0.43 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 2jjk h PHE 16 CO 0.04 -0.31 0.56 0.28 -2.23 0.00 0.00 178.31 176.66 2jjk h VAL 17 N -0.48 1.11 -0.16 1.41 2.07 -1.04 -2.02 116.25 117.13 2jjk h VAL 17 Ca -0.02 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 2jjk h VAL 17 Cb 0.41 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2jjk h VAL 17 CO 0.01 0.19 -0.42 -0.03 0.02 0.00 0.00 177.57 177.34 2jjk h MET 18 N 1.03 0.39 0.00 1.57 1.85 -1.35 -1.12 114.93 117.29 2jjk h MET 18 Ca 0.35 -0.20 -0.19 0.00 -0.61 0.00 0.00 59.70 59.06 2jjk h MET 18 Cb 0.10 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.11 2jjk h MET 18 CO -0.12 0.74 -0.89 1.49 -0.40 0.00 0.00 176.91 177.74 2jjk h GLU 19 N 0.32 0.03 -0.21 0.39 4.57 -0.86 -2.60 114.58 116.23 2jjk h GLU 19 Ca 0.03 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 2jjk h GLU 19 Cb 0.88 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2jjk h GLU 19 CO 0.07 0.89 -0.44 0.93 -1.18 0.00 0.00 179.01 179.28 2jjk h GLU 20 N 0.01 0.51 -0.40 1.92 4.39 -1.10 -2.20 114.58 117.71 2jjk h GLU 20 Ca -0.02 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 2jjk h GLU 20 Cb 1.56 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.20 2jjk h GLU 20 CO 0.12 0.86 0.09 0.78 -1.16 0.00 0.00 179.01 179.70 2jjk h GLY 21 N 1.10 0.70 1.82 -3.84 0.00 -1.16 -2.02 103.07 99.67 2jjk h GLY 21 Ca 0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 2jjk h GLY 21 CO 0.08 0.41 -0.32 3.21 0.00 0.00 0.00 176.54 179.93 2jjk h ARG 22 N 0.51 0.21 -0.30 4.80 3.08 -1.41 0.73 114.38 122.00 2jjk h ARG 22 Ca 0.13 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2jjk h ARG 22 Cb 0.32 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2jjk h ARG 22 CO 0.00 0.51 0.09 0.87 -1.07 0.00 0.00 179.97 180.37 2jjk h LYS 23 N 0.18 0.47 -0.02 0.04 1.57 -1.28 -3.04 116.57 114.50 2jjk h LYS 23 Ca 0.02 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2jjk h LYS 23 Cb 0.66 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2jjk h LYS 23 CO 0.05 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.46 2jjk n ALA 24 N -2.30 2.59 -2.20 3.86 0.00 -0.77 -4.87 120.51 116.82 2jjk n ALA 24 Ca -0.02 -0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 2jjk n ALA 24 Cb 0.17 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.64 -1.81 -1.44 0.00 1.74 -0.27 -4.94 116.66 109.30 2jjk n ARG 25 Ca 0.13 0.85 -0.30 0.00 -0.77 0.00 0.00 57.85 57.76 2jjk n ARG 25 Cb 0.09 -5.41 0.09 0.00 -1.02 0.00 0.00 32.46 26.21 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 -2.13 1.65 0.31 -0.13 0.00 0.09 -4.98 107.32 102.12 2jjk s GLY 26 Ca 0.00 -0.00 0.25 0.00 0.00 0.00 0.00 44.72 44.97 2jjk s GLY 26 CO 0.00 0.39 1.73 -0.91 0.00 0.00 0.00 173.10 174.30 2jjk h THR 27 N -1.07 0.00 0.00 0.90 1.35 -1.92 -3.45 112.91 108.72 2jjk h THR 27 Ca -0.46 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2jjk h THR 27 Cb 1.25 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2jjk h THR 27 CO 0.56 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 2jjk n GLY 28 N 1.09 0.45 0.26 5.82 0.00 -1.26 -4.99 105.19 106.57 2jjk n GLY 28 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 3.57 0.58 -0.15 1.61 4.81 -1.99 0.22 114.58 123.23 2jjk h GLU 29 Ca 0.00 -0.18 -0.22 0.00 -0.13 0.00 0.00 59.36 58.82 2jjk h GLU 29 Cb 0.00 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.34 2jjk h GLU 29 CO 0.00 0.71 -0.78 1.25 -0.73 0.00 0.00 179.01 179.46 2jjk h LEU 30 N 0.53 0.95 -0.25 1.64 5.85 -1.94 -2.02 115.31 120.07 2jjk h LEU 30 Ca 0.09 -0.63 0.05 0.00 0.84 0.00 0.00 57.88 58.23 2jjk h LEU 30 Cb 0.56 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2jjk h LEU 30 CO 0.04 1.43 -0.04 0.74 -0.34 0.00 0.00 178.44 180.26 2jjk h THR 31 N 0.54 0.77 -0.81 1.05 2.02 -1.83 0.07 112.91 114.72 2jjk h THR 31 Ca -0.05 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.18 2jjk h THR 31 Cb 1.41 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 2jjk h THR 31 CO 0.16 0.00 0.53 1.56 0.37 0.00 0.00 175.52 178.15 2jjk h GLN 32 N 0.02 0.85 0.19 6.66 1.08 -0.50 -0.50 115.11 122.92 2jjk h GLN 32 Ca 0.12 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2jjk h GLN 32 Cb 0.17 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2jjk h GLN 32 CO -0.24 0.57 -0.09 1.25 -0.95 0.00 0.00 178.83 179.37 2jjk h LEU 33 N 0.88 -0.22 -0.66 1.46 6.46 -0.94 -2.62 115.31 119.67 2jjk h LEU 33 Ca 0.35 -0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.88 2jjk h LEU 33 Cb 0.24 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 2jjk h LEU 33 CO -0.12 0.02 0.08 -0.07 -0.62 0.00 0.00 178.44 177.72 2jjk h LEU 34 N -0.45 1.07 -0.52 2.25 3.38 -0.74 -0.83 115.31 119.48 2jjk h LEU 34 Ca -0.03 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.70 2jjk h LEU 34 Cb 0.35 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2jjk h LEU 34 CO 0.04 1.08 0.30 0.78 0.09 0.00 0.00 178.44 180.73 2jjk h ASN 35 N 1.03 0.47 -0.43 -0.43 -0.26 -1.18 0.01 115.58 114.79 2jjk h ASN 35 Ca 0.20 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 2jjk h ASN 35 Cb 0.48 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.64 2jjk h ASN 35 CO 0.02 0.33 0.17 0.28 -1.06 0.00 0.00 177.43 177.17 2jjk h SER 36 N 0.59 0.59 -0.23 5.81 0.02 -1.05 0.27 113.55 119.54 2jjk h SER 36 Ca 0.21 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 61.04 2jjk h SER 36 Cb 0.05 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 2jjk h SER 36 CO -0.11 0.60 -0.07 0.25 -1.14 0.00 0.00 176.83 176.36 2jjk h LEU 37 N 0.55 -0.25 -0.76 5.07 5.85 -0.99 -1.28 115.31 123.50 2jjk h LEU 37 Ca 0.14 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 2jjk h LEU 37 Cb 0.19 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2jjk h LEU 37 CO -0.01 -0.09 0.26 0.00 -0.34 0.00 0.00 178.44 178.26 2jjk h THR 39 N 1.12 1.01 -0.51 0.00 2.02 -0.64 -1.24 112.91 114.66 2jjk h THR 39 Ca 0.25 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 2jjk h THR 39 Cb 0.27 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 2jjk h THR 39 CO -0.01 0.18 0.12 0.00 0.37 0.00 0.00 175.52 176.18 2jjk h ALA 40 N 1.44 0.68 -0.77 6.16 0.00 -0.27 -2.71 119.26 123.79 2jjk h ALA 40 Ca 0.41 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2jjk h ALA 40 Cb 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2jjk h ALA 40 CO -0.20 0.37 0.27 0.28 0.00 0.00 0.00 179.25 179.97 2jjk h VAL 41 N 0.72 1.26 -0.68 0.00 2.07 -0.50 0.13 116.25 119.24 2jjk h VAL 41 Ca 0.16 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2jjk h VAL 41 Cb 0.34 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2jjk h VAL 41 CO 0.00 0.35 0.30 0.11 0.02 0.00 0.00 177.57 178.36 2jjk h LYS 42 N 1.13 0.99 -0.43 1.57 1.57 -1.11 0.46 116.57 120.75 2jjk h LYS 42 Ca 0.25 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 2jjk h LYS 42 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2jjk h LYS 42 CO -0.01 0.78 -0.28 0.00 -0.57 0.00 0.00 179.45 179.37 2jjk h ALA 43 N 1.36 0.61 -0.49 3.86 0.00 -1.07 -0.49 119.26 123.04 2jjk h ALA 43 Ca 0.23 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2jjk h ALA 43 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jjk h ALA 43 CO -0.03 0.64 0.08 0.82 0.00 0.00 0.00 179.25 180.76 2jjk h ILE 44 N 0.77 1.25 -0.63 0.00 2.04 -0.63 -1.90 117.51 118.41 2jjk h ILE 44 Ca 0.09 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.05 2jjk h ILE 44 Cb 0.86 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2jjk h ILE 44 CO 0.08 0.33 0.39 -1.28 0.00 0.00 0.00 178.15 177.67 2jjk h SER 45 N 0.68 0.65 -0.77 1.72 0.87 -0.80 0.16 113.55 116.05 2jjk h SER 45 Ca 0.15 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2jjk h SER 45 Cb 0.39 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 2jjk h SER 45 CO 0.01 0.45 0.40 -1.28 -0.53 0.00 0.00 176.83 175.88 2jjk h SER 46 N 0.78 1.00 0.42 6.23 0.87 -0.74 -1.57 113.55 120.54 2jjk h SER 46 Ca 0.25 -0.10 -0.18 0.00 -1.23 0.00 0.00 61.79 60.52 2jjk h SER 46 Cb 0.00 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2jjk h SER 46 CO -0.10 0.83 -0.77 0.00 -0.53 0.00 0.00 176.83 176.26 2jjk h ALA 47 N 1.33 0.61 -0.39 6.23 0.00 -0.50 -2.27 119.26 124.26 2jjk h ALA 47 Ca 0.27 -0.65 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 2jjk h ALA 47 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jjk h ALA 47 CO -0.04 0.82 -0.36 0.28 0.00 0.00 0.00 179.25 179.95 2jjk h VAL 48 N 0.18 1.27 0.00 0.00 2.07 -0.44 -2.47 116.25 116.87 2jjk h VAL 48 Ca -0.03 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2jjk h VAL 48 Cb 1.36 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2jjk h VAL 48 CO 0.12 0.51 0.00 0.54 0.02 0.00 0.00 177.57 178.77 2jjk n ARG 49 N -4.08 0.82 -2.22 1.57 3.00 -0.62 -4.90 116.66 110.23 2jjk n ARG 49 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.73 2jjk n ARG 49 Cb 0.53 -1.39 -0.00 0.00 0.00 0.00 0.00 32.46 31.60 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 -0.89 -0.87 -1.70 5.56 4.76 -0.93 -4.99 118.16 119.11 2jjk n LYS 50 Ca 0.15 0.42 -0.44 0.00 -2.87 0.00 0.00 58.31 55.58 2jjk n LYS 50 Cb 0.07 -4.39 -0.02 0.00 -1.84 0.00 0.00 35.03 28.84 2jjk n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jjk n ALA 51 N -1.56 1.70 -0.70 7.82 0.00 -0.87 -2.28 120.51 124.62 2jjk n ALA 51 Ca -0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2jjk n ALA 51 Cb 0.58 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2jjk n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjk n GLY 52 N 2.38 0.82 0.25 0.00 0.00 -1.26 -4.85 105.19 102.53 2jjk n GLY 52 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 0.85 -0.87 -0.61 2.10 -1.86 -1.91 117.51 115.20 2jjk h ILE 53 Ca 0.00 -0.46 0.19 0.00 1.08 0.00 0.00 64.86 65.67 2jjk h ILE 53 Cb 0.00 1.26 -0.06 0.00 -1.09 0.00 0.00 36.82 36.93 2jjk h ILE 53 CO 0.00 0.12 0.58 0.00 -1.08 0.00 0.00 178.15 177.77 2jjk h ALA 54 N 1.88 2.18 -0.14 0.18 0.00 -1.91 -2.05 119.26 119.40 2jjk h ALA 54 Ca -0.00 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2jjk h ALA 54 Cb 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jjk h ALA 54 CO 0.02 -0.44 -0.67 0.45 0.00 0.00 0.00 179.25 178.61 2jjk h HIS 55 N 0.42 0.70 0.00 0.00 3.86 -1.74 -1.88 115.15 116.50 2jjk h HIS 55 Ca 0.45 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2jjk h HIS 55 Cb 1.09 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 2jjk h HIS 55 CO -0.00 1.05 -0.04 -0.07 0.86 0.00 0.00 177.93 179.72 2jjk h LEU 56 N 0.38 0.00 -3.36 2.43 3.38 -1.47 -2.43 115.31 114.25 2jjk h LEU 56 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2jjk h LEU 56 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2jjk h LEU 56 CO 0.12 0.04 0.02 -1.22 0.09 0.00 0.00 178.44 177.49 2jjk n TYR 57 N -4.25 1.26 -0.77 1.13 4.02 -1.09 -4.97 117.16 112.49 2jjk n TYR 57 Ca -0.03 -0.92 0.00 0.00 -0.01 0.00 0.00 57.90 56.94 2jjk n TYR 57 Cb 0.13 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 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 -0.33 0.55 0.40 2.72 0.00 -0.92 -4.95 105.19 102.66 2jjk n GLY 58 Ca 0.25 -0.81 0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 0.72 -0.56 -0.61 2.10 -1.56 -0.56 117.51 117.05 2jjk h ILE 59 Ca 0.00 -0.10 -0.05 0.00 1.08 0.00 0.00 64.86 65.79 2jjk h ILE 59 Cb 0.03 0.40 -0.03 0.00 -1.09 0.00 0.00 36.82 36.13 2jjk h ILE 59 CO 0.00 0.05 0.06 0.00 -1.08 0.00 0.00 178.15 177.18 2jjk n ALA 60 N -2.56 3.91 0.00 0.18 0.00 -1.26 -5.07 120.51 115.70 2jjk n ALA 60 Ca 0.16 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.49 2jjk n ALA 60 Cb 0.65 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.23 1.83 0.00 0.00 0.00 -0.22 -5.20 105.19 101.83 2jjk n GLY 61 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2jjk n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jjk n LYS 72 N -0.29 0.00 -0.26 1.61 5.02 -1.26 -4.83 118.16 118.16 2jjk n LYS 72 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2jjk n LYS 72 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.21 2jjk n LYS 72 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2jjk h LEU 73 N 0.00 0.94 -0.68 -0.35 5.85 -1.99 0.17 115.31 119.26 2jjk h LEU 73 Ca 0.00 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 2jjk h LEU 73 Cb 0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2jjk h LEU 73 CO 0.00 0.71 -0.66 -2.24 -0.34 0.00 0.00 178.44 175.91 2jjk h ASP 74 N 1.10 0.00 -0.02 1.25 2.03 -1.95 -1.29 116.42 117.54 2jjk h ASP 74 Ca 0.29 -0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.53 2jjk h ASP 74 Cb -0.08 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.42 2jjk h ASP 74 CO -0.06 0.66 -0.23 0.58 -1.03 0.00 0.00 179.24 179.17 2jjk h VAL 75 N 0.00 1.51 -0.27 4.15 2.07 -1.82 -1.42 116.25 120.48 2jjk h VAL 75 Ca -0.01 -1.82 0.06 0.00 0.82 0.00 0.00 66.70 65.75 2jjk h VAL 75 Cb 1.17 2.62 -0.06 0.00 -1.52 0.00 0.00 31.29 33.50 2jjk h VAL 75 CO 0.09 0.50 -0.11 0.25 0.02 0.00 0.00 177.57 178.32 2jjk h LEU 76 N -0.44 -0.37 -0.79 2.57 5.85 -0.71 0.28 115.31 121.71 2jjk h LEU 76 Ca -0.02 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.87 2jjk h LEU 76 Cb 0.94 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2jjk h LEU 76 CO 0.05 -0.14 0.46 0.28 -0.34 0.00 0.00 178.44 178.75 2jjk h SER 77 N -0.06 0.69 -0.12 1.25 0.02 -1.21 0.12 113.55 114.24 2jjk h SER 77 Ca 0.14 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2jjk h SER 77 Cb 0.27 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2jjk h SER 77 CO -0.31 0.43 0.07 -1.13 -1.14 0.00 0.00 176.83 174.74 2jjk h ASN 78 N 0.82 0.15 -0.63 3.07 -1.24 -0.81 -1.99 115.58 114.94 2jjk h ASN 78 Ca 0.36 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.30 2jjk h ASN 78 Cb 0.25 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 2jjk h ASN 78 CO -0.20 0.17 0.37 0.44 -1.29 0.00 0.00 177.43 176.91 2jjk h ASP 79 N 0.11 0.78 0.30 1.15 3.32 0.95 -0.92 116.42 122.11 2jjk h ASP 79 Ca 0.04 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2jjk h ASP 79 Cb 0.05 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2jjk h ASP 79 CO -0.01 0.62 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.92 2jjk h LEU 80 N 0.90 -0.34 -0.16 1.55 3.38 -0.69 -0.79 115.31 119.16 2jjk h LEU 80 Ca 0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jjk h LEU 80 Cb 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2jjk h LEU 80 CO -0.04 -0.02 0.10 0.58 0.09 0.00 0.00 178.44 179.15 2jjk h VAL 81 N -0.67 1.07 -0.76 1.22 2.07 -1.23 -1.53 116.25 116.42 2jjk h VAL 81 Ca -0.04 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2jjk h VAL 81 Cb 0.47 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2jjk h VAL 81 CO 0.07 0.07 0.45 0.24 0.02 0.00 0.00 177.57 178.41 2jjk h MET 82 N 0.19 0.80 0.11 1.57 2.86 -1.21 -0.91 114.93 118.34 2jjk h MET 82 Ca 0.06 -0.05 -0.27 0.00 -2.06 0.00 0.00 59.70 57.38 2jjk h MET 82 Cb 0.02 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.51 2jjk h MET 82 CO -0.01 0.53 -1.18 -0.97 1.06 0.00 0.00 176.91 176.34 2jjk h ASN 83 N 0.83 0.56 -0.31 1.22 -1.24 -0.89 -1.87 115.58 113.88 2jjk h ASN 83 Ca 0.33 -0.54 -0.05 0.00 0.71 0.00 0.00 56.30 56.75 2jjk h ASN 83 Cb 0.17 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2jjk h ASN 83 CO -0.17 1.39 0.00 0.24 -1.29 0.00 0.00 177.43 177.60 2jjk h MET 84 N 0.15 0.54 0.01 6.67 2.86 -1.23 -2.34 114.93 121.59 2jjk h MET 84 Ca -0.14 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2jjk h MET 84 Cb 1.87 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.49 2jjk h MET 84 CO 0.21 0.68 -0.00 -0.07 1.06 0.00 0.00 176.91 178.78 2jjk h LEU 85 N 0.34 -0.01 -0.61 1.22 3.38 -1.19 -1.60 115.31 116.85 2jjk h LEU 85 Ca 0.09 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 57.94 2jjk h LEU 85 Cb 0.43 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 2jjk h LEU 85 CO 0.02 0.23 0.12 0.11 0.09 0.00 0.00 178.44 179.01 2jjk h LYS 86 N -0.25 0.24 0.00 1.13 1.57 -1.39 -1.70 116.57 116.17 2jjk h LYS 86 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jjk h LYS 86 Cb 0.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2jjk h LYS 86 CO 0.00 0.16 0.00 -1.13 -0.57 0.00 0.00 179.45 177.91 2jjk n SER 87 N -5.14 0.00 0.12 0.86 3.41 -0.88 -3.17 113.62 108.82 2jjk n SER 87 Ca 0.09 -0.50 0.12 0.00 -0.26 0.00 0.00 58.87 58.32 2jjk n SER 87 Cb 0.33 -0.16 0.47 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.16 0.69 -1.39 4.04 3.41 -0.61 -4.89 113.62 113.71 2jjk n SER 88 Ca 0.18 0.64 -0.17 0.00 -0.26 0.00 0.00 58.87 59.26 2jjk n SER 88 Cb 0.18 -0.80 -0.07 0.00 -0.26 0.00 0.00 64.21 63.25 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 -2.23 -0.05 0.18 7.33 3.01 -1.19 -4.71 117.46 119.79 2jjk n PHE 89 Ca 0.03 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.51 2jjk n PHE 89 Cb 0.27 -3.19 0.01 0.00 -0.01 0.00 0.00 39.48 36.57 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 1.21 2.49 -2.51 4.37 0.00 -1.26 -3.08 120.51 121.74 2jjk n ALA 90 Ca -0.17 -0.47 -0.25 0.00 0.00 0.00 0.00 53.44 52.55 2jjk n ALA 90 Cb 0.63 -0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.52 2.36 0.00 0.00 -4.23 -1.26 -1.19 115.64 110.81 2jjk s THR 91 Ca 0.04 -2.31 0.00 0.00 -1.18 0.00 0.00 61.69 58.24 2jjk s THR 91 Cb 0.03 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.40 2jjk s THR 91 CO 0.07 -0.30 0.00 0.00 -0.54 0.00 0.00 174.62 173.85 2jjk s VAL 93 N -1.08 -0.04 -0.11 0.00 1.01 -1.25 -0.56 120.40 118.38 2jjk s VAL 93 Ca 0.00 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.26 2jjk s VAL 93 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.26 2jjk s VAL 93 CO 0.00 0.13 -0.15 -0.76 0.00 0.00 0.00 175.10 174.31 2jjk s LEU 94 N 1.42 1.73 -0.18 3.92 1.43 0.73 -1.55 118.68 126.18 2jjk s LEU 94 Ca -0.05 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2jjk s LEU 94 Cb -0.13 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 44.99 2jjk s LEU 94 CO -0.03 0.01 -0.16 -0.69 0.23 0.00 0.00 176.35 175.71 2jjk s VAL 95 N 1.03 2.47 -0.02 -1.59 1.01 -0.07 -0.14 120.40 123.10 2jjk s VAL 95 Ca -0.05 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.17 2jjk s VAL 95 Cb -0.15 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 2jjk s VAL 95 CO -0.02 0.51 -0.19 -0.55 0.00 0.00 0.00 175.10 174.84 2jjk s SER 96 N 1.17 2.29 0.51 3.32 0.15 -1.26 -0.20 113.70 119.68 2jjk s SER 96 Ca 0.01 -0.35 0.35 0.00 0.70 0.00 0.00 55.95 56.66 2jjk s SER 96 Cb -0.14 -0.28 1.50 0.00 -1.71 0.00 0.00 66.02 65.39 2jjk s SER 96 CO -0.07 0.24 1.75 -0.08 1.20 0.00 0.00 173.24 176.28 2jjk h GLU 97 N 5.69 0.07 -0.00 5.44 4.22 -1.74 -1.08 114.58 127.17 2jjk h GLU 97 Ca -0.38 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.06 2jjk h GLU 97 Cb 1.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2jjk h GLU 97 CO 0.48 0.04 -0.12 0.39 -2.18 0.00 0.00 179.01 177.62 2jjk n GLU 98 N -4.26 0.31 -4.64 1.92 -0.58 -1.26 -4.82 120.64 107.31 2jjk n GLU 98 Ca 0.29 -0.08 -0.28 0.00 -0.42 0.00 0.00 57.16 56.67 2jjk n GLU 98 Cb 1.31 -1.50 -0.17 0.00 -0.57 0.00 0.00 31.44 30.51 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 -2.75 2.38 0.17 1.62 1.11 -0.41 -5.03 116.67 113.75 2jjk s ASP 99 Ca 0.21 -0.42 -0.13 0.00 0.18 0.00 0.00 52.55 52.39 2jjk s ASP 99 Cb 0.19 -1.08 0.06 0.00 1.07 0.00 0.00 42.92 43.17 2jjk s ASP 99 CO 0.53 0.05 1.74 0.50 1.18 0.00 0.00 175.17 179.16 2jjk h LYS 100 N 7.15 0.81 -6.20 8.23 1.63 -1.88 -3.42 116.57 122.90 2jjk h LYS 100 Ca -0.29 -0.13 -0.51 0.00 -0.85 0.00 0.00 60.65 58.87 2jjk h LYS 100 Cb 1.19 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 32.63 2jjk h LYS 100 CO 0.48 0.68 -0.54 -1.01 -3.45 0.00 0.00 179.45 175.62 2jjk s HIS 101 N -5.64 3.09 0.36 1.91 3.76 -1.26 -4.98 115.29 112.52 2jjk s HIS 101 Ca -0.13 -0.11 -0.28 0.00 -0.15 0.00 0.00 55.06 54.39 2jjk s HIS 101 Cb 0.12 -1.40 -0.11 0.00 1.11 0.00 0.00 32.58 32.31 2jjk s HIS 101 CO 0.78 0.53 1.50 0.00 -0.85 0.00 0.00 174.74 176.70 2jjk s ALA 102 N -2.12 3.60 -0.20 -1.40 0.00 -1.26 -4.77 121.76 115.62 2jjk s ALA 102 Ca 0.33 1.57 -0.20 0.00 0.00 0.00 0.00 51.96 53.66 2jjk s ALA 102 Cb -0.08 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 2jjk s ALA 102 CO 0.24 -1.04 0.61 0.42 0.00 0.00 0.00 175.76 175.99 2jjk s ILE 103 N -0.93 5.04 -0.21 0.00 -1.09 0.80 -4.91 121.20 119.90 2jjk s ILE 103 Ca 0.54 1.14 -0.14 0.00 -2.23 0.00 0.00 60.65 59.96 2jjk s ILE 103 Cb -0.47 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 2jjk s ILE 103 CO 0.61 0.13 0.33 -0.63 -1.23 0.00 0.00 174.94 174.14 2jjk s ILE 104 N 1.83 5.25 0.49 2.92 -1.09 -1.26 -0.20 121.20 129.14 2jjk s ILE 104 Ca 0.28 0.57 -0.22 0.00 -2.23 0.00 0.00 60.65 59.05 2jjk s ILE 104 Cb -0.16 -3.67 -0.06 0.00 -1.58 0.00 0.00 42.46 36.99 2jjk s ILE 104 CO 0.10 0.29 1.21 -0.69 -1.23 0.00 0.00 174.94 174.62 2jjk s VAL 105 N 1.17 2.84 0.36 2.92 1.01 0.28 -4.98 120.40 124.00 2jjk s VAL 105 Ca 0.16 0.62 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 2jjk s VAL 105 Cb -0.14 -3.31 -0.11 0.00 0.00 0.00 0.00 36.38 32.82 2jjk s VAL 105 CO 0.07 -0.02 1.43 -1.61 0.00 0.00 0.00 175.10 174.97 2jjk s GLU 106 N -2.82 4.19 0.31 2.72 0.41 -1.26 -4.84 118.70 117.40 2jjk s GLU 106 Ca 0.67 2.45 0.04 0.00 -0.41 0.00 0.00 54.97 57.72 2jjk s GLU 106 Cb -0.31 -3.01 0.80 0.00 -1.78 0.00 0.00 34.13 29.84 2jjk s GLU 106 CO 0.37 -0.42 1.61 -1.35 -0.49 0.00 0.00 175.26 174.97 2jjk h PRO 107 N 3.21 0.09 0.00 0.39 0.11 -1.98 0.30 132.00 134.11 2jjk h PRO 107 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jjk h PRO 107 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jjk h PRO 107 CO 0.65 0.06 0.00 1.05 -0.21 0.00 0.00 178.00 179.55 2jjk h GLU 108 N 0.09 0.00 -0.34 1.05 9.09 -2.02 -2.92 114.58 119.54 2jjk h GLU 108 Ca 0.61 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.02 2jjk h GLU 108 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 2jjk h GLU 108 CO -0.78 0.00 0.00 1.63 0.05 0.00 0.00 179.01 179.91 2jjk n LYS 109 N -2.45 2.88 -2.48 1.06 5.02 0.10 -5.02 118.16 117.28 2jjk n LYS 109 Ca 0.02 -2.07 -0.43 0.00 -2.02 0.00 0.00 58.31 53.81 2jjk n LYS 109 Cb 0.25 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 2jjk n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jjk s ARG 110 N -1.05 4.26 0.00 1.97 0.52 -1.10 -4.07 118.95 119.48 2jjk s ARG 110 Ca 0.24 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 57.05 2jjk s ARG 110 Cb 0.13 -3.70 0.00 0.00 0.52 0.00 0.00 34.95 31.90 2jjk s ARG 110 CO 0.15 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.25 2jjk n GLY 111 N 3.51 4.45 0.01 -3.53 0.00 0.61 -4.79 105.19 105.46 2jjk n GLY 111 Ca 0.13 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.09 0.13 -3.79 1.61 2.85 -1.00 -3.76 118.16 114.11 2jjk n LYS 112 Ca 0.00 -0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.95 2jjk n LYS 112 Cb 0.00 -1.54 -0.04 0.00 -0.65 0.00 0.00 35.03 32.80 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 -3.09 3.49 -0.20 5.58 2.02 -0.33 -1.03 117.35 123.80 2jjk s TYR 113 Ca 0.07 0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 57.12 2jjk s TYR 113 Cb 0.16 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 2jjk s TYR 113 CO 0.79 0.49 -0.06 0.08 -1.57 0.00 0.00 175.55 175.28 2jjk s VAL 114 N -1.63 3.34 -0.12 0.71 1.01 0.12 -1.12 120.40 122.71 2jjk s VAL 114 Ca 0.38 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2jjk s VAL 114 Cb -0.12 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 2jjk s VAL 114 CO 0.27 0.45 -0.19 -0.69 0.00 0.00 0.00 175.10 174.94 2jjk s VAL 115 N 1.13 2.47 -0.13 2.92 1.01 -0.59 0.22 120.40 127.43 2jjk s VAL 115 Ca 0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2jjk s VAL 115 Cb -0.15 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2jjk s VAL 115 CO -0.01 0.54 -0.01 0.00 0.00 0.00 0.00 175.10 175.62 2jjk s PHE 117 N -0.18 -0.33 -0.37 0.00 -0.71 0.72 -0.80 117.98 116.31 2jjk s PHE 117 Ca 0.04 0.39 -0.02 0.00 -1.04 0.00 0.00 56.93 56.30 2jjk s PHE 117 Cb -0.13 0.24 0.09 0.00 -1.21 0.00 0.00 43.02 42.02 2jjk s PHE 117 CO 0.02 -0.56 0.14 0.34 -1.34 0.00 0.00 175.22 173.82 2jjk s ASP 118 N -1.77 5.13 0.41 1.98 -1.08 0.12 -1.77 116.67 119.70 2jjk s ASP 118 Ca -0.07 -1.81 0.18 0.00 -0.52 0.00 0.00 52.55 50.33 2jjk s ASP 118 Cb -0.01 -1.79 0.90 0.00 -1.46 0.00 0.00 42.92 40.56 2jjk s ASP 118 CO 0.01 -0.45 1.87 1.55 0.52 0.00 0.00 175.17 178.66 2jjk h PRO 119 N 8.01 0.00 -1.62 4.34 0.13 -1.86 -1.15 132.00 139.85 2jjk h PRO 119 Ca -0.15 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.54 2jjk h PRO 119 Cb 1.05 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.88 2jjk h PRO 119 CO 0.64 0.30 -0.85 -0.11 -0.23 0.00 0.00 178.00 177.76 2jjk n LEU 120 N -3.84 -1.25 -4.73 1.56 7.94 -1.24 -4.29 117.00 111.15 2jjk n LEU 120 Ca -0.01 -4.02 -0.42 0.00 -1.11 0.00 0.00 56.01 50.45 2jjk n LEU 120 Cb 0.39 0.66 -0.03 0.00 0.53 0.00 0.00 43.42 44.97 2jjk n LEU 120 CO 0.36 1.96 1.18 -0.62 -1.11 0.00 0.00 177.39 179.16 2jjk s ASP 121 N -0.43 6.60 0.00 1.96 2.15 0.29 -2.86 116.67 124.38 2jjk s ASP 121 Ca 0.33 2.66 0.00 0.00 0.43 0.00 0.00 52.55 55.97 2jjk s ASP 121 Cb 0.10 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2jjk s ASP 121 CO -0.15 -0.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.68 2jjk n GLY 122 N 2.98 0.81 0.00 2.66 0.00 -1.26 -2.11 105.19 108.27 2jjk n GLY 122 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.29 1.61 3.41 -1.13 -2.43 113.62 115.36 2jjk n SER 123 Ca 0.00 0.28 0.14 0.00 -0.26 0.00 0.00 58.87 59.03 2jjk n SER 123 Cb 0.00 -0.38 0.85 0.00 -0.26 0.00 0.00 64.21 64.43 2jjk n SER 123 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2jjk h SER 124 N 0.00 0.00 -0.03 4.04 0.87 -1.91 -2.89 113.55 113.63 2jjk h SER 124 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jjk h SER 124 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2jjk h SER 124 CO 0.00 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 2jjk n ASN 125 N -4.00 2.19 0.33 6.23 4.13 -1.02 -4.74 115.26 118.39 2jjk n ASN 125 Ca -0.03 -2.30 0.15 0.00 1.68 0.00 0.00 54.58 54.08 2jjk n ASN 125 Cb 0.09 -0.14 0.81 0.00 -1.54 0.00 0.00 39.78 39.01 2jjk n ASN 125 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2jjk h ILE 126 N 0.17 0.01 0.00 2.41 2.10 -1.62 0.23 117.51 120.81 2jjk h ILE 126 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2jjk h ILE 126 Cb 0.66 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 2jjk h ILE 126 CO 0.01 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.52 2jjk h ASP 127 N 0.00 0.00 -0.55 2.19 3.32 -1.85 0.08 116.42 119.61 2jjk h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jjk h ASP 127 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 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 1.01 -1.82 -4.77 0.00 4.77 0.02 -4.99 117.00 111.21 2jjk n LEU 129 Ca 0.20 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.89 2jjk n LEU 129 Cb 0.64 -2.87 -0.01 0.00 -2.33 0.00 0.00 43.42 38.85 2jjk n LEU 129 CO 0.15 -0.43 1.08 0.54 -1.33 0.00 0.00 177.39 177.40 2jjk s VAL 130 N -2.95 2.32 0.17 4.08 0.11 -1.26 -4.93 120.40 117.93 2jjk s VAL 130 Ca 0.00 0.32 -0.27 0.00 -2.93 0.00 0.00 61.98 59.10 2jjk s VAL 130 Cb 0.00 -3.20 -0.16 0.00 -1.53 0.00 0.00 36.38 31.49 2jjk s VAL 130 CO 0.00 0.07 0.54 -1.20 -3.33 0.00 0.00 175.10 171.18 2jjk n SER 131 N 0.66 -1.03 -3.95 3.54 7.64 -1.26 -4.80 113.62 114.41 2jjk n SER 131 Ca 0.01 1.05 -0.20 0.00 1.01 0.00 0.00 58.87 60.73 2jjk n SER 131 Cb 0.40 -0.88 -0.09 0.00 -1.01 0.00 0.00 64.21 62.64 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 -0.83 0.37 0.17 0.44 -7.23 -1.20 -4.78 120.40 107.34 2jjk s VAL 132 Ca 0.62 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.55 2jjk s VAL 132 Cb -0.89 -2.48 0.06 0.00 0.56 0.00 0.00 36.38 33.62 2jjk s VAL 132 CO 0.52 0.00 0.77 -0.83 -0.31 0.00 0.00 175.10 175.25 2jjk s GLY 133 N -3.43 -0.35 -0.09 2.32 0.00 -0.90 0.05 107.32 104.93 2jjk s GLY 133 Ca 0.34 0.26 0.04 0.00 0.00 0.00 0.00 44.72 45.35 2jjk s GLY 133 CO 0.18 0.08 -0.21 -1.59 0.00 0.00 0.00 173.10 171.56 2jjk s THR 134 N -3.59 2.34 -0.02 0.90 2.01 0.01 0.11 115.64 117.40 2jjk s THR 134 Ca 0.07 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.22 2jjk s THR 134 Cb -0.03 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 2jjk s THR 134 CO -0.03 0.56 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.58 2jjk s ILE 135 N 0.16 1.97 0.03 1.82 1.01 -0.43 0.17 121.20 125.93 2jjk s ILE 135 Ca -0.12 -1.06 -0.11 0.00 0.00 0.00 0.00 60.65 59.36 2jjk s ILE 135 Cb -0.16 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.68 2jjk s ILE 135 CO 0.06 0.56 0.22 0.72 0.00 0.00 0.00 174.94 176.51 2jjk s PHE 136 N -0.55 0.00 -0.09 3.97 -0.12 -0.74 -0.70 117.98 119.75 2jjk s PHE 136 Ca 0.08 -0.17 -0.05 0.00 -0.05 0.00 0.00 56.93 56.75 2jjk s PHE 136 Cb -0.10 0.01 0.04 0.00 -0.63 0.00 0.00 43.02 42.34 2jjk s PHE 136 CO -0.01 -0.43 0.21 0.20 -0.05 0.00 0.00 175.22 175.15 2jjk s GLY 137 N -1.97 -0.11 -0.13 1.99 0.00 0.02 -1.57 107.32 105.55 2jjk s GLY 137 Ca -0.06 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.54 2jjk s GLY 137 CO -0.03 1.13 -0.15 -0.42 0.00 0.00 0.00 173.10 173.63 2jjk s ILE 138 N 1.16 2.81 0.24 0.90 1.01 0.15 -1.14 121.20 126.32 2jjk s ILE 138 Ca -0.09 -0.74 0.10 0.00 0.00 0.00 0.00 60.65 59.93 2jjk s ILE 138 Cb -0.10 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 2jjk s ILE 138 CO -0.07 0.52 -0.13 -0.31 0.00 0.00 0.00 174.94 174.95 2jjk s TYR 139 N 0.50 2.48 0.06 3.97 2.02 0.13 -0.66 117.35 125.85 2jjk s TYR 139 Ca -0.10 -0.28 -0.26 0.00 -0.37 0.00 0.00 57.07 56.06 2jjk s TYR 139 Cb -0.16 -1.14 -0.06 0.00 -0.40 0.00 0.00 41.96 40.20 2jjk s TYR 139 CO 0.04 0.61 0.79 0.50 -1.57 0.00 0.00 175.55 175.93 2jjk s ARG 140 N -3.26 4.53 0.02 -0.62 3.52 -1.26 0.15 118.95 122.03 2jjk s ARG 140 Ca 0.28 1.12 -0.30 0.00 -0.13 0.00 0.00 55.73 56.70 2jjk s ARG 140 Cb -0.07 -3.36 -0.07 0.00 -1.56 0.00 0.00 34.95 29.90 2jjk s ARG 140 CO 0.16 0.29 1.55 0.21 -0.81 0.00 0.00 175.30 176.69 2jjk s LYS 141 N -0.11 4.23 0.15 5.12 2.20 -0.20 -4.79 119.74 126.35 2jjk s LYS 141 Ca 0.40 2.15 0.24 0.00 -0.36 0.00 0.00 55.97 58.40 2jjk s LYS 141 Cb -0.21 -3.65 0.26 0.00 -1.51 0.00 0.00 37.83 32.72 2jjk s LYS 141 CO 0.24 -0.69 1.26 0.87 -0.36 0.00 0.00 175.35 176.67 2jjk h LYS 142 N 8.31 0.00 -5.16 4.03 1.79 -1.89 -3.48 116.57 120.18 2jjk h LYS 142 Ca -0.40 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 57.67 2jjk h LYS 142 Cb 1.19 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.69 2jjk h LYS 142 CO 0.92 0.00 -0.65 -1.54 -1.08 0.00 0.00 179.45 177.10 2jjk s SER 143 N -4.58 2.01 0.00 0.86 1.04 -1.26 -5.03 113.70 106.74 2jjk s SER 143 Ca 0.05 -1.23 0.24 0.00 0.48 0.00 0.00 55.95 55.49 2jjk s SER 143 Cb 0.12 -0.02 0.68 0.00 0.10 0.00 0.00 66.02 66.90 2jjk s SER 143 CO 0.74 -0.50 1.53 0.35 0.98 0.00 0.00 173.24 176.34 2jjk n THR 144 N -0.47 0.14 -1.09 2.02 -2.24 -1.26 -4.95 114.28 106.44 2jjk n THR 144 Ca -0.05 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 60.99 2jjk n THR 144 Cb 0.64 0.75 0.13 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.80 3.55 0.19 3.42 1.01 -1.26 -4.91 116.67 116.87 2jjk s ASP 145 Ca 0.34 2.34 -0.32 0.00 0.71 0.00 0.00 52.55 55.62 2jjk s ASP 145 Cb 0.20 -2.59 -0.15 0.00 1.01 0.00 0.00 42.92 41.39 2jjk s ASP 145 CO 0.30 -2.69 1.19 1.21 0.21 0.00 0.00 175.17 175.40 2jjk n GLU 146 N -3.38 1.31 -1.86 8.23 4.07 -1.26 -4.86 120.64 122.88 2jjk n GLU 146 Ca 0.13 0.46 -0.41 0.00 -0.06 0.00 0.00 57.16 57.28 2jjk n GLU 146 Cb 0.51 -1.98 -0.02 0.00 -0.06 0.00 0.00 31.44 29.89 2jjk n GLU 146 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2jjk s PRO 147 N -0.43 4.17 0.34 5.31 0.04 -1.26 -4.99 135.00 138.18 2jjk s PRO 147 Ca 0.72 2.49 -0.18 0.00 0.04 0.00 0.00 61.00 64.07 2jjk s PRO 147 Cb -0.81 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 30.73 2jjk s PRO 147 CO 0.52 -0.54 0.76 -1.54 0.04 0.00 0.00 177.00 176.24 2jjk s SER 148 N 0.32 -0.11 0.56 6.66 1.04 -1.26 -4.97 113.70 115.95 2jjk s SER 148 Ca 0.60 -0.92 0.28 0.00 0.48 0.00 0.00 55.95 56.39 2jjk s SER 148 Cb -0.46 0.80 1.48 0.00 0.10 0.00 0.00 66.02 67.94 2jjk s SER 148 CO 0.49 -1.54 1.97 -0.33 0.98 0.00 0.00 173.24 174.81 2jjk h GLU 149 N 2.00 0.00 0.00 4.02 5.08 -1.94 -1.62 114.58 122.12 2jjk h GLU 149 Ca -0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2jjk h GLU 149 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2jjk h GLU 149 CO 0.33 0.00 -0.07 0.87 -1.00 0.00 0.00 179.01 179.14 2jjk h LYS 150 N 0.00 0.00 0.00 2.33 1.57 -1.96 -1.51 116.57 117.00 2jjk h LYS 150 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2jjk h LYS 150 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2jjk h LYS 150 CO -0.00 0.07 0.00 -0.44 -0.57 0.00 0.00 179.45 178.51 2jjk h ASP 151 N 0.00 0.00 0.32 0.86 3.32 -1.69 -2.57 116.42 116.66 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 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2jjk h ASP 151 CO 0.01 0.00 -0.45 0.00 -1.72 0.00 0.00 179.24 177.08 2jjk n ALA 152 N -2.09 3.48 -1.90 3.45 0.00 -0.57 -4.55 120.51 118.33 2jjk n ALA 152 Ca 0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 2jjk n ALA 152 Cb 0.28 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.08 8.01 -4.56 0.00 4.77 -0.97 -4.89 117.00 118.28 2jjk n LEU 153 Ca 0.08 -4.75 -0.30 0.00 -0.03 0.00 0.00 56.01 51.01 2jjk n LEU 153 Cb 0.35 -1.42 -0.10 0.00 -2.33 0.00 0.00 43.42 39.92 2jjk n LEU 153 CO 0.32 1.97 -0.43 -1.10 -1.33 0.00 0.00 177.39 176.81 2jjk s GLN 154 N -0.28 2.11 0.70 3.23 -0.21 -1.26 -4.62 119.66 119.32 2jjk s GLN 154 Ca 0.55 -1.02 -0.16 0.00 0.02 0.00 0.00 55.36 54.76 2jjk s GLN 154 Cb 0.17 -2.28 0.02 0.00 1.00 0.00 0.00 33.01 31.92 2jjk s GLN 154 CO -0.08 0.51 1.20 -1.25 -2.12 0.00 0.00 175.29 173.55 2jjk s PRO 155 N -2.08 2.37 0.48 2.91 0.04 -1.26 -4.58 135.00 132.87 2jjk s PRO 155 Ca 0.20 1.73 0.21 0.00 0.04 0.00 0.00 61.00 63.18 2jjk s PRO 155 Cb -0.11 -1.86 1.23 0.00 0.04 0.00 0.00 34.50 33.79 2jjk s PRO 155 CO 0.12 -1.65 1.95 0.78 0.04 0.00 0.00 177.00 178.24 2jjk h GLY 156 N -0.04 0.37 -0.79 0.56 0.00 -1.62 -0.64 103.07 100.90 2jjk h GLY 156 Ca -0.48 -0.09 0.40 0.00 0.00 0.00 0.00 47.33 47.15 2jjk h GLY 156 CO 0.51 0.03 0.96 3.21 0.00 0.00 0.00 176.54 181.25 2jjk h ARG 157 N 0.21 0.05 -0.01 4.80 2.47 -1.65 -0.49 114.38 119.78 2jjk h ARG 157 Ca 0.33 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2jjk h ARG 157 Cb 0.98 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 2jjk h ARG 157 CO -0.06 0.04 -0.11 0.09 0.56 0.00 0.00 179.97 180.49 2jjk n ASN 158 N -4.23 0.64 -4.64 7.04 4.13 -0.25 -4.91 115.26 113.04 2jjk n ASN 158 Ca 0.31 -0.78 -0.44 0.00 1.68 0.00 0.00 54.58 55.35 2jjk n ASN 158 Cb 1.40 -0.03 -0.01 0.00 -1.54 0.00 0.00 39.78 39.60 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 -0.76 2.53 -0.10 3.41 4.77 -0.19 -4.53 117.00 122.12 2jjk n LEU 159 Ca 0.16 1.18 -0.24 0.00 -0.03 0.00 0.00 56.01 57.08 2jjk n LEU 159 Cb 0.28 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 39.89 2jjk n LEU 159 CO 0.22 -0.98 -1.02 0.52 -1.33 0.00 0.00 177.39 174.80 2jjk n VAL 160 N 0.50 1.57 -3.79 4.08 0.31 0.16 -5.00 118.33 116.15 2jjk n VAL 160 Ca 0.08 -0.33 -0.13 0.00 -0.01 0.00 0.00 64.34 63.96 2jjk n VAL 160 Cb 0.33 -1.85 -0.10 0.00 -0.91 0.00 0.00 33.84 31.31 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 -2.47 -0.64 0.08 3.52 0.00 -1.18 -4.44 121.76 116.63 2jjk s ALA 161 Ca -0.32 0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 2jjk s ALA 161 Cb 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2jjk s ALA 161 CO 0.58 -0.21 0.27 0.00 0.00 0.00 0.00 175.76 176.40 2jjk s ALA 162 N -0.88 -0.51 0.00 0.00 0.00 -0.47 0.30 121.76 120.21 2jjk s ALA 162 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2jjk s ALA 162 Cb -0.05 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.53 2jjk s ALA 162 CO 0.02 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2jjk n GLY 163 N 0.17 0.50 3.28 0.00 0.00 -0.61 0.14 105.19 108.68 2jjk n GLY 163 Ca -0.17 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.16 -0.20 -0.20 1.61 -0.85 -0.72 -1.79 117.35 113.04 2jjk s TYR 164 Ca 0.00 0.17 -0.07 0.00 -0.52 0.00 0.00 57.07 56.65 2jjk s TYR 164 Cb 0.00 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 2jjk s TYR 164 CO 0.00 -0.50 0.06 0.00 -1.52 0.00 0.00 175.55 173.59 2jjk s ALA 165 N -2.19 3.33 -0.20 9.51 0.00 0.13 -0.57 121.76 131.76 2jjk s ALA 165 Ca -0.07 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 2jjk s ALA 165 Cb -0.02 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 2jjk s ALA 165 CO -0.01 0.02 0.06 -1.17 0.00 0.00 0.00 175.76 174.66 2jjk s LEU 166 N 0.68 3.65 -1.04 0.00 2.96 0.68 -0.81 118.68 124.81 2jjk s LEU 166 Ca 0.03 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 2jjk s LEU 166 Cb -0.13 -1.94 0.27 0.00 0.50 0.00 0.00 46.19 44.88 2jjk s LEU 166 CO 0.02 0.10 1.05 -1.22 -1.32 0.00 0.00 176.35 174.98 2jjk n TYR 167 N 4.00 4.58 0.00 5.38 4.01 0.11 -1.13 117.16 134.11 2jjk n TYR 167 Ca -0.16 -3.83 0.00 0.00 -0.16 0.00 0.00 57.90 53.74 2jjk n TYR 167 Cb 0.52 -1.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.10 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 2.35 2.65 0.36 2.72 0.00 -1.26 -3.22 105.19 108.78 2jjk n GLY 168 Ca 0.24 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 0.91 -3.46 1.61 4.64 -2.00 -3.42 113.55 111.84 2jjk h SER 169 Ca 0.00 0.05 -0.46 0.00 -0.47 0.00 0.00 61.79 60.92 2jjk h SER 169 Cb 0.00 -0.13 -0.14 0.00 -0.31 0.00 0.00 62.40 61.83 2jjk h SER 169 CO 0.00 0.46 -0.60 0.00 -0.87 0.00 0.00 176.83 175.82 2jjk s ALA 170 N -5.95 2.29 -0.26 5.18 0.00 -1.26 -5.14 121.76 116.63 2jjk s ALA 170 Ca -0.12 -1.97 -0.11 0.00 0.00 0.00 0.00 51.96 49.77 2jjk s ALA 170 Cb 0.23 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 24.03 2jjk s ALA 170 CO 0.81 -0.34 0.17 0.99 0.00 0.00 0.00 175.76 177.39 2jjk s THR 171 N -3.37 5.27 -0.02 0.00 2.01 -1.26 -4.46 115.64 113.80 2jjk s THR 171 Ca 0.36 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.55 2jjk s THR 171 Cb 0.08 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 2jjk s THR 171 CO 0.15 0.30 -0.14 -0.32 -0.69 0.00 0.00 174.62 173.92 2jjk s MET 172 N 1.44 1.29 -0.22 4.92 -2.45 -0.28 -1.05 119.30 122.94 2jjk s MET 172 Ca 0.07 -0.50 -0.09 0.00 -1.25 0.00 0.00 55.69 53.92 2jjk s MET 172 Cb -0.15 -1.20 -0.04 0.00 1.25 0.00 0.00 34.83 34.69 2jjk s MET 172 CO 0.08 0.26 0.12 -1.17 1.05 0.00 0.00 175.02 175.36 2jjk s LEU 173 N -0.15 3.94 -0.22 4.11 0.20 0.68 -0.23 118.68 127.02 2jjk s LEU 173 Ca 0.02 0.07 -0.03 0.00 0.69 0.00 0.00 54.13 54.87 2jjk s LEU 173 Cb -0.08 -2.04 0.00 0.00 -0.43 0.00 0.00 46.19 43.64 2jjk s LEU 173 CO 0.00 0.09 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.41 2jjk s VAL 174 N 0.90 3.20 -0.14 1.68 1.01 0.26 0.11 120.40 127.42 2jjk s VAL 174 Ca 0.06 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2jjk s VAL 174 Cb -0.13 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2jjk s VAL 174 CO 0.03 0.39 -0.16 -0.22 0.00 0.00 0.00 175.10 175.14 2jjk s LEU 175 N 1.44 1.78 -0.15 3.92 2.96 -0.38 -1.76 118.68 126.49 2jjk s LEU 175 Ca 0.05 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 2jjk s LEU 175 Cb -0.15 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 2jjk s LEU 175 CO -0.04 -0.02 -0.03 0.00 -1.32 0.00 0.00 176.35 174.94 2jjk s ALA 176 N 1.28 3.04 0.03 5.97 0.00 0.12 -1.18 121.76 131.03 2jjk s ALA 176 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2jjk s ALA 176 Cb -0.14 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 2jjk s ALA 176 CO -0.08 0.25 0.03 -1.33 0.00 0.00 0.00 175.76 174.63 2jjk n MET 177 N 3.39 0.04 -0.07 0.00 2.81 -0.79 -1.37 117.12 121.13 2jjk n MET 177 Ca -0.17 -0.31 0.09 0.00 -1.81 0.00 0.00 57.70 55.49 2jjk n MET 177 Cb 0.53 0.26 0.45 0.00 -0.71 0.00 0.00 33.22 33.75 2jjk n MET 177 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 2jjk h ASP 178 N 0.19 0.45 0.50 7.83 3.58 -1.96 -0.70 116.42 126.31 2jjk h ASP 178 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2jjk h ASP 178 Cb 0.11 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2jjk h ASP 178 CO 0.03 0.29 0.00 0.00 -2.88 0.00 0.00 179.24 176.68 2jjk n GLY 180 N -0.06 0.33 3.53 0.00 0.00 -0.27 -4.92 105.19 103.81 2jjk n GLY 180 Ca 0.03 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.17 4.32 -0.03 1.61 1.01 -1.26 -1.88 120.40 124.01 2jjk s VAL 181 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2jjk s VAL 181 Cb 0.00 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2jjk s VAL 181 CO 0.00 0.44 -0.18 0.20 0.00 0.00 0.00 175.10 175.56 2jjk s ASN 182 N 0.74 2.13 -0.14 3.32 -0.87 -0.32 -0.36 114.94 119.43 2jjk s ASN 182 Ca 0.02 -0.34 -0.02 0.00 -1.57 0.00 0.00 52.86 50.95 2jjk s ASN 182 Cb -0.14 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.25 40.67 2jjk s ASN 182 CO 0.02 0.19 -0.09 0.00 -2.57 0.00 0.00 177.10 174.65 2jjk s PHE 184 N 0.37 1.84 -0.20 0.00 0.08 0.12 -0.51 117.98 119.69 2jjk s PHE 184 Ca -0.08 -0.85 -0.17 0.00 0.12 0.00 0.00 56.93 55.95 2jjk s PHE 184 Cb -0.15 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 2jjk s PHE 184 CO 0.04 -0.45 0.47 1.41 -0.10 0.00 0.00 175.22 176.59 2jjk s MET 185 N 1.02 4.19 0.02 0.44 -2.45 0.79 -0.23 119.30 123.09 2jjk s MET 185 Ca -0.06 0.33 -0.30 0.00 -1.25 0.00 0.00 55.69 54.40 2jjk s MET 185 Cb -0.15 -3.55 -0.07 0.00 1.25 0.00 0.00 34.83 32.32 2jjk s MET 185 CO -0.02 -0.09 1.56 -1.17 1.05 0.00 0.00 175.02 176.35 2jjk s LEU 186 N 1.46 4.34 -0.45 4.11 2.96 -0.21 -0.98 118.68 129.90 2jjk s LEU 186 Ca 0.22 2.29 -0.13 0.00 -0.22 0.00 0.00 54.13 56.29 2jjk s LEU 186 Cb -0.15 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.06 2jjk s LEU 186 CO 0.09 -0.83 0.35 -0.62 -1.32 0.00 0.00 176.35 174.02 2jjk s ASP 187 N 2.39 5.96 0.57 3.68 -1.08 -0.44 -4.66 116.67 123.09 2jjk s ASP 187 Ca 0.70 -1.41 0.35 0.00 -0.52 0.00 0.00 52.55 51.67 2jjk s ASP 187 Cb -0.35 -2.11 1.56 0.00 -1.46 0.00 0.00 42.92 40.56 2jjk s ASP 187 CO 0.29 -0.61 2.06 -0.65 0.52 0.00 0.00 175.17 176.78 2jjk h PRO 188 N 8.63 0.00 0.00 4.34 0.11 -1.93 0.61 132.00 143.76 2jjk h PRO 188 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2jjk h PRO 188 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jjk h PRO 188 CO 0.84 0.01 -0.05 0.00 -0.21 0.00 0.00 178.00 178.59 2jjk h ALA 189 N 1.99 1.68 0.00 -0.75 0.00 -1.97 -3.25 119.26 116.95 2jjk h ALA 189 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jjk h ALA 189 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jjk h ALA 189 CO 0.00 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.75 2jjk n ILE 190 N -4.13 0.00 -3.35 0.00 -5.35 -1.05 -5.06 119.36 100.42 2jjk n ILE 190 Ca -0.03 -0.14 -0.17 0.00 -0.27 0.00 0.00 62.75 62.15 2jjk n ILE 190 Cb 0.13 1.22 0.08 0.00 -1.74 0.00 0.00 39.64 39.33 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 0.19 -0.82 3.14 3.28 0.00 0.21 -5.03 105.19 106.16 2jjk n GLY 191 Ca 0.00 0.38 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 2jjk n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jjk s GLU 192 N -4.88 1.39 -0.45 1.61 0.41 -1.08 -4.95 118.70 110.74 2jjk s GLU 192 Ca 0.27 -0.58 -0.23 0.00 -0.41 0.00 0.00 54.97 54.01 2jjk s GLU 192 Cb -0.04 -1.32 0.03 0.00 -1.78 0.00 0.00 34.13 31.02 2jjk s GLU 192 CO 0.74 0.33 0.80 -0.06 -0.49 0.00 0.00 175.26 176.59 2jjk s PHE 193 N -0.31 2.98 -0.19 1.61 0.08 -1.26 -1.32 117.98 119.56 2jjk s PHE 193 Ca 0.05 0.17 -0.17 0.00 0.12 0.00 0.00 56.93 57.10 2jjk s PHE 193 Cb -0.07 -3.70 -0.04 0.00 -0.57 0.00 0.00 43.02 38.64 2jjk s PHE 193 CO -0.00 -1.01 0.44 0.42 -0.10 0.00 0.00 175.22 174.97 2jjk s ILE 194 N 3.35 5.17 -0.07 0.64 -1.09 -0.15 -0.55 121.20 128.49 2jjk s ILE 194 Ca 0.30 0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 59.23 2jjk s ILE 194 Cb -0.12 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 2jjk s ILE 194 CO 0.23 0.24 1.66 -0.22 -1.23 0.00 0.00 174.94 175.61 2jjk s LEU 195 N 1.32 4.27 -0.00 2.97 2.96 0.71 -0.15 118.68 130.77 2jjk s LEU 195 Ca 0.21 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 56.30 2jjk s LEU 195 Cb -0.15 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 2jjk s LEU 195 CO 0.09 -0.97 0.01 1.33 -1.32 0.00 0.00 176.35 175.49 2jjk n VAL 196 N 5.59 0.00 -3.68 1.68 0.24 0.34 -4.78 118.33 117.72 2jjk n VAL 196 Ca 0.18 -0.04 -0.18 0.00 -2.04 0.00 0.00 64.34 62.25 2jjk n VAL 196 Cb 0.43 0.52 -0.17 0.00 -1.47 0.00 0.00 33.84 33.15 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 -2.00 0.91 -0.12 -1.34 1.01 -1.13 -5.02 116.67 108.98 2jjk s ASP 197 Ca -0.00 0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.38 2jjk s ASP 197 Cb 0.00 0.02 -0.04 0.00 1.01 0.00 0.00 42.92 43.91 2jjk s ASP 197 CO 0.02 -0.24 0.05 -0.54 0.21 0.00 0.00 175.17 174.67 2jjk s LYS 198 N 2.12 3.36 -1.24 8.23 1.02 -1.26 -0.83 119.74 131.14 2jjk s LYS 198 Ca 0.03 -0.33 -0.26 0.00 0.02 0.00 0.00 55.97 55.43 2jjk s LYS 198 Cb -0.12 -2.99 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2jjk s LYS 198 CO -0.04 0.60 0.64 -3.47 -0.92 0.00 0.00 175.35 172.16 2jjk n ASP 199 N 2.49 -3.77 -4.82 2.83 2.03 -0.67 -4.85 116.55 109.78 2jjk n ASP 199 Ca -0.18 -1.21 -0.33 0.00 0.52 0.00 0.00 54.79 53.59 2jjk n ASP 199 Cb 0.54 -2.18 -0.06 0.00 -0.72 0.00 0.00 41.12 38.69 2jjk n ASP 199 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jjk s VAL 200 N -3.61 4.37 -0.01 5.18 -7.23 0.51 -4.80 120.40 114.81 2jjk s VAL 200 Ca 0.42 1.40 0.03 0.00 -1.81 0.00 0.00 61.98 62.02 2jjk s VAL 200 Cb -0.21 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.11 2jjk s VAL 200 CO 0.94 -0.40 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.69 2jjk s LYS 201 N -3.39 0.88 0.35 4.82 -0.14 -1.26 -4.38 119.74 116.62 2jjk s LYS 201 Ca 0.62 -0.39 -0.25 0.00 -1.36 0.00 0.00 55.97 54.58 2jjk s LYS 201 Cb -0.10 -0.85 -0.10 0.00 -1.68 0.00 0.00 37.83 35.11 2jjk s LYS 201 CO 0.18 0.23 1.00 -1.50 -0.76 0.00 0.00 175.35 174.50 2jjk s ILE 202 N -0.26 3.96 0.31 2.17 2.07 0.52 -5.00 121.20 124.96 2jjk s ILE 202 Ca 0.04 1.58 -0.28 0.00 -1.41 0.00 0.00 60.65 60.59 2jjk s ILE 202 Cb -0.04 -3.86 -0.13 0.00 0.13 0.00 0.00 42.46 38.55 2jjk s ILE 202 CO -0.00 0.09 1.10 0.29 -1.91 0.00 0.00 174.94 174.51 2jjk n LYS 203 N 0.32 1.60 -0.06 3.50 5.02 -1.26 -4.88 118.16 122.41 2jjk n LYS 203 Ca 0.03 0.56 0.09 0.00 -2.02 0.00 0.00 58.31 56.97 2jjk n LYS 203 Cb 0.50 -2.00 0.46 0.00 -0.02 0.00 0.00 35.03 33.97 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 2.16 0.47 -3.14 1.97 3.64 -1.94 -3.39 116.57 116.35 2jjk h LYS 204 Ca -0.42 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 58.74 2jjk h LYS 204 Cb 1.32 -0.11 -0.29 0.00 -0.41 0.00 0.00 32.23 32.75 2jjk h LYS 204 CO 0.61 0.31 -0.50 0.21 -2.27 0.00 0.00 179.45 177.81 2jjk s LYS 205 N -5.45 0.20 0.16 1.90 2.20 -1.26 -1.05 119.74 116.44 2jjk s LYS 205 Ca -0.08 0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.97 2jjk s LYS 205 Cb 0.19 -0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.48 2jjk s LYS 205 CO 0.74 -0.12 0.21 0.41 -0.36 0.00 0.00 175.35 176.23 2jjk n GLY 206 N 3.79 2.11 0.14 5.54 0.00 -1.26 -4.71 105.19 110.80 2jjk n GLY 206 Ca -0.21 -2.17 0.01 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.28 0.65 -4.57 1.61 5.02 -1.26 -4.73 118.16 113.60 2jjk n LYS 207 Ca 0.04 -1.01 -0.21 0.00 -2.02 0.00 0.00 58.31 55.10 2jjk n LYS 207 Cb 0.17 -0.69 -0.15 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 -0.46 1.01 0.14 -0.18 1.01 -1.26 -0.53 121.20 120.93 2jjk s ILE 208 Ca 0.03 -0.54 0.11 0.00 0.00 0.00 0.00 60.65 60.25 2jjk s ILE 208 Cb 0.03 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2jjk s ILE 208 CO 0.00 0.29 -0.26 -0.72 0.00 0.00 0.00 174.94 174.25 2jjk s TYR 209 N -0.27 2.29 -0.20 3.97 1.13 0.14 -2.12 117.35 122.28 2jjk s TYR 209 Ca 0.04 -0.38 -0.05 0.00 -1.41 0.00 0.00 57.07 55.28 2jjk s TYR 209 Cb -0.05 -1.22 0.07 0.00 -1.10 0.00 0.00 41.96 39.65 2jjk s TYR 209 CO -0.00 0.36 0.10 0.45 -2.51 0.00 0.00 175.55 173.94 2jjk s SER 210 N -2.14 2.68 0.27 -0.18 0.15 0.76 -2.47 113.70 112.77 2jjk s SER 210 Ca 0.15 -0.80 -0.21 0.00 0.70 0.00 0.00 55.95 55.78 2jjk s SER 210 Cb -0.10 -0.28 0.03 0.00 -1.71 0.00 0.00 66.02 63.96 2jjk s SER 210 CO 0.06 -0.37 0.70 -1.48 1.20 0.00 0.00 173.24 173.35 2jjk s LEU 211 N 2.12 -0.29 -0.58 3.45 2.34 -1.26 -0.11 118.68 124.35 2jjk s LEU 211 Ca 0.04 -0.54 -0.28 0.00 0.06 0.00 0.00 54.13 53.41 2jjk s LEU 211 Cb -0.16 2.70 0.03 0.00 -0.56 0.00 0.00 46.19 48.20 2jjk s LEU 211 CO -0.17 -1.30 1.16 0.21 -1.06 0.00 0.00 176.35 175.19 2jjk s ASN 212 N -2.90 6.43 0.01 1.48 3.84 -1.26 -4.80 114.94 117.75 2jjk s ASN 212 Ca 0.10 0.05 0.27 0.00 0.21 0.00 0.00 52.86 53.49 2jjk s ASN 212 Cb -0.05 -2.54 0.84 0.00 -0.55 0.00 0.00 41.25 38.95 2jjk s ASN 212 CO 0.05 -1.45 1.65 -0.62 -2.79 0.00 0.00 177.10 173.94 2jjk n GLU 213 N 8.32 0.02 0.09 0.43 1.02 -1.26 -3.62 120.64 125.65 2jjk n GLU 213 Ca 0.08 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.31 2jjk n GLU 213 Cb 0.49 -1.52 0.55 0.00 -0.02 0.00 0.00 31.44 30.94 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 4.96 0.29 -3.62 0.62 0.00 -2.06 -1.99 103.07 101.26 2jjk h GLY 214 Ca 0.00 -0.10 -0.44 0.00 0.00 0.00 0.00 47.33 46.79 2jjk h GLY 214 CO 0.00 0.09 0.56 -1.72 0.00 0.00 0.00 176.54 175.46 2jjk n TYR 215 N -4.49 2.46 -0.01 5.60 4.01 -1.24 -4.64 117.16 118.85 2jjk n TYR 215 Ca 0.02 -1.78 0.09 0.00 -0.16 0.00 0.00 57.90 56.07 2jjk n TYR 215 Cb 0.18 -0.90 0.50 0.00 -0.31 0.00 0.00 39.34 38.81 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 1.33 1.94 0.00 -0.72 0.00 -1.60 -1.97 119.26 118.24 2jjk h ALA 216 Ca 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 2jjk h ALA 216 Cb 2.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 2jjk h ALA 216 CO 0.96 -0.02 -0.16 1.57 0.00 0.00 0.00 179.25 181.60 2jjk h LYS 217 N 0.38 0.00 -0.01 0.00 2.10 -1.87 -1.31 116.57 115.86 2jjk h LYS 217 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2jjk h LYS 217 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2jjk h LYS 217 CO -0.05 0.16 -0.26 -0.25 -2.00 0.00 0.00 179.45 177.05 2jjk n ASP 218 N -3.39 1.01 -4.63 7.07 8.00 -0.75 -4.97 116.55 118.90 2jjk n ASP 218 Ca -0.00 -0.88 -0.44 0.00 0.71 0.00 0.00 54.79 54.18 2jjk n ASP 218 Cb 0.35 0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 2jjk n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jjk n PHE 219 N -0.67 1.63 -1.85 1.24 3.01 -0.50 -4.49 117.46 115.83 2jjk n PHE 219 Ca 0.12 0.64 -0.39 0.00 1.01 0.00 0.00 57.45 58.84 2jjk n PHE 219 Cb 0.35 -2.31 0.02 0.00 -0.01 0.00 0.00 39.48 37.53 2jjk n PHE 219 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2jjk s ASP 220 N -0.42 5.65 0.27 4.37 2.15 -1.26 -4.80 116.67 122.64 2jjk s ASP 220 Ca 0.59 2.78 0.01 0.00 0.43 0.00 0.00 52.55 56.35 2jjk s ASP 220 Cb -0.66 -2.64 0.63 0.00 -0.30 0.00 0.00 42.92 39.95 2jjk s ASP 220 CO 0.60 -1.31 1.70 -0.65 -0.17 0.00 0.00 175.17 175.33 2jjk h PRO 221 N 1.93 0.36 -0.66 4.34 0.11 -1.97 -0.45 132.00 135.66 2jjk h PRO 221 Ca -0.51 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.59 2jjk h PRO 221 Cb 1.28 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2jjk h PRO 221 CO 0.59 0.24 0.43 0.00 -0.21 0.00 0.00 178.00 179.06 2jjk h ALA 222 N 1.67 0.85 -0.24 -0.75 0.00 -1.91 -0.99 119.26 117.90 2jjk h ALA 222 Ca 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 2jjk h ALA 222 Cb 0.93 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jjk h ALA 222 CO -0.52 0.25 0.04 0.28 0.00 0.00 0.00 179.25 179.30 2jjk h VAL 223 N 0.88 1.23 -0.58 0.00 2.07 -1.51 -0.94 116.25 117.41 2jjk h VAL 223 Ca 0.25 -0.76 0.12 0.00 0.82 0.00 0.00 66.70 67.12 2jjk h VAL 223 Cb -0.08 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 30.86 2jjk h VAL 223 CO -0.06 0.24 -0.06 0.74 0.02 0.00 0.00 177.57 178.45 2jjk h THR 224 N 0.20 0.48 -0.38 2.57 2.02 -0.89 -1.55 112.91 115.36 2jjk h THR 224 Ca 0.07 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 2jjk h THR 224 Cb 0.33 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2jjk h THR 224 CO 0.00 0.01 -0.03 -0.08 0.37 0.00 0.00 175.52 175.79 2jjk h GLU 225 N 0.06 0.70 -0.25 6.66 4.81 -0.85 -1.18 114.58 124.53 2jjk h GLU 225 Ca 0.29 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2jjk h GLU 225 Cb 0.46 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2jjk h GLU 225 CO -0.54 0.82 0.12 -0.92 -0.73 0.00 0.00 179.01 177.76 2jjk h TYR 226 N 0.52 0.36 -0.23 0.92 3.20 -0.83 -1.28 116.97 119.62 2jjk h TYR 226 Ca 0.10 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2jjk h TYR 226 Cb 0.52 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2jjk h TYR 226 CO 0.04 0.35 0.11 0.82 -1.64 0.00 0.00 178.16 177.85 2jjk h ILE 227 N 0.27 1.14 -0.81 1.81 1.08 -1.24 -1.64 117.51 118.11 2jjk h ILE 227 Ca 0.08 -0.39 0.19 0.00 -0.39 0.00 0.00 64.86 64.35 2jjk h ILE 227 Cb 0.13 0.97 -0.12 0.00 -3.07 0.00 0.00 36.82 34.73 2jjk h ILE 227 CO -0.01 0.14 0.24 -0.61 -0.69 0.00 0.00 178.15 177.22 2jjk h GLN 228 N 0.25 0.29 -0.05 2.37 -0.00 -1.00 0.15 115.11 117.12 2jjk h GLN 228 Ca 0.08 -0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.64 2jjk h GLN 228 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.52 2jjk h GLN 228 CO -0.01 0.19 -0.32 0.00 0.00 0.00 0.00 178.83 178.69 2jjk h ARG 229 N 0.29 0.09 -0.15 1.69 3.08 -0.83 0.51 114.38 119.05 2jjk h ARG 229 Ca 0.48 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.35 2jjk h ARG 229 Cb 0.86 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2jjk h ARG 229 CO -0.54 0.40 -0.53 0.87 -1.07 0.00 0.00 179.97 179.10 2jjk h LYS 230 N 0.08 0.44 0.01 0.04 1.79 -0.04 -2.86 116.57 116.02 2jjk h LYS 230 Ca 0.01 -0.27 -0.28 0.00 -2.18 0.00 0.00 60.65 57.93 2jjk h LYS 230 Cb 0.61 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.24 2jjk h LYS 230 CO 0.04 0.86 -1.60 0.87 -1.08 0.00 0.00 179.45 178.55 2jjk h LYS 231 N 0.34 0.01 -2.27 3.15 1.57 -1.00 -1.78 116.57 116.59 2jjk h LYS 231 Ca 0.01 -0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 58.17 2jjk h LYS 231 Cb 1.04 0.01 -0.41 0.00 0.08 0.00 0.00 32.23 32.95 2jjk h LYS 231 CO 0.09 0.61 -0.74 1.19 -0.57 0.00 0.00 179.45 180.03 2jjk n PHE 232 N -3.12 2.35 -1.74 -1.35 3.72 0.18 -4.72 117.46 112.77 2jjk n PHE 232 Ca -0.14 -3.98 -0.39 0.00 -0.05 0.00 0.00 57.45 52.89 2jjk n PHE 232 Cb 1.03 -0.47 0.04 0.00 -0.94 0.00 0.00 39.48 39.15 2jjk n PHE 232 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2jjk n PRO 233 N 1.24 1.74 0.21 -1.08 -0.02 -1.08 -4.53 135.00 131.48 2jjk n PRO 233 Ca 0.26 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.44 2jjk n PRO 233 Cb 0.44 -2.58 0.47 0.00 -0.02 0.00 0.00 33.50 31.81 2jjk n PRO 233 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2jjk h PRO 234 N 1.50 0.00 0.00 0.52 0.13 -1.96 -3.46 132.00 128.74 2jjk h PRO 234 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jjk h PRO 234 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2jjk h PRO 234 CO 0.57 0.28 0.00 -0.40 -0.23 0.00 0.00 178.00 178.22 2jjk n ASP 235 N -3.90 0.45 -0.60 1.44 5.75 -1.26 -5.01 116.55 113.42 2jjk n ASP 235 Ca -0.02 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.85 2jjk n ASP 235 Cb 0.36 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.73 2jjk n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jjk n ASN 236 N 0.00 1.76 -4.81 -1.12 3.02 -1.26 -4.95 115.26 107.91 2jjk n ASN 236 Ca 0.00 -1.84 -0.31 0.00 -0.03 0.00 0.00 54.58 52.40 2jjk n ASN 236 Cb 0.00 -0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.06 2jjk n ASN 236 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jjk s SER 237 N -1.32 5.27 0.36 6.41 1.04 -1.26 -5.01 113.70 119.19 2jjk s SER 237 Ca 0.28 1.70 -0.27 0.00 0.48 0.00 0.00 55.95 58.15 2jjk s SER 237 Cb 0.15 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.67 2jjk s SER 237 CO 0.22 -1.52 1.19 0.00 0.98 0.00 0.00 173.24 174.11 2jjk s ALA 238 N -2.89 3.28 0.55 5.32 0.00 -1.26 -4.81 121.76 121.96 2jjk s ALA 238 Ca 0.60 1.02 -0.21 0.00 0.00 0.00 0.00 51.96 53.37 2jjk s ALA 238 Cb -0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2jjk s ALA 238 CO 0.52 -0.48 1.32 -2.30 0.00 0.00 0.00 175.76 174.82 2jjk n PRO 239 N 0.47 1.59 -1.79 0.00 -0.02 -1.26 -4.92 135.00 129.07 2jjk n PRO 239 Ca 0.02 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 2jjk n PRO 239 Cb 0.45 -2.53 0.05 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.31 2.46 0.72 6.00 1.51 -0.67 -5.02 117.35 121.04 2jjk s TYR 240 Ca 0.72 1.56 -0.11 0.00 -1.01 0.00 0.00 57.07 58.23 2jjk s TYR 240 Cb -0.42 -3.30 0.03 0.00 -0.11 0.00 0.00 41.96 38.16 2jjk s TYR 240 CO 0.49 -1.96 1.07 0.20 -1.11 0.00 0.00 175.55 174.23 2jjk s GLY 241 N -2.20 1.66 -0.10 0.71 0.00 0.32 -4.83 107.32 102.87 2jjk s GLY 241 Ca 0.71 0.02 0.04 0.00 0.00 0.00 0.00 44.72 45.48 2jjk s GLY 241 CO 0.39 0.36 -0.23 0.00 0.00 0.00 0.00 173.10 173.61 2jjk s ALA 242 N -3.07 2.12 -0.02 3.20 0.00 -1.26 -0.68 121.76 122.04 2jjk s ALA 242 Ca 0.59 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2jjk s ALA 242 Cb -0.14 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.19 2jjk s ALA 242 CO 0.55 0.28 -0.05 1.03 0.00 0.00 0.00 175.76 177.57 2jjk s ARG 243 N 0.35 0.63 -0.30 0.00 1.81 -1.03 -4.97 118.95 115.44 2jjk s ARG 243 Ca -0.19 -0.14 0.01 0.00 -1.72 0.00 0.00 55.73 53.69 2jjk s ARG 243 Cb -0.18 -0.64 0.15 0.00 -0.45 0.00 0.00 34.95 33.82 2jjk s ARG 243 CO 0.09 0.01 0.34 -0.47 -0.68 0.00 0.00 175.30 174.59 2jjk s TYR 244 N 0.43 -0.59 0.30 -0.53 5.04 -1.26 -4.14 117.35 116.61 2jjk s TYR 244 Ca -0.05 -0.15 0.16 0.00 -2.44 0.00 0.00 57.07 54.59 2jjk s TYR 244 Cb -0.09 -0.37 0.74 0.00 0.35 0.00 0.00 41.96 42.59 2jjk s TYR 244 CO -0.00 -0.95 1.79 0.28 -1.34 0.00 0.00 175.55 175.33 2jjk h VAL 245 N 6.03 1.10 0.00 3.14 2.07 -1.96 -3.47 116.25 123.16 2jjk h VAL 245 Ca -0.09 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2jjk h VAL 245 Cb 1.08 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2jjk h VAL 245 CO 0.29 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.87 2jjk n GLY 246 N -0.18 0.92 3.24 2.17 0.00 -1.26 -5.00 105.19 105.09 2jjk n GLY 246 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.89 4.55 0.20 1.61 0.15 -1.26 -4.87 113.70 111.19 2jjk s SER 247 Ca 0.00 -0.82 -0.12 0.00 0.70 0.00 0.00 55.95 55.71 2jjk s SER 247 Cb 0.00 -1.73 0.24 0.00 -1.71 0.00 0.00 66.02 62.82 2jjk s SER 247 CO 0.00 -0.15 1.70 -0.03 1.20 0.00 0.00 173.24 175.96 2jjk h MET 248 N 8.07 0.19 -0.29 5.44 4.05 -1.93 -1.54 114.93 128.92 2jjk h MET 248 Ca -0.32 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.13 2jjk h MET 248 Cb 1.11 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.83 2jjk h MET 248 CO 0.58 0.12 0.04 0.28 0.23 0.00 0.00 176.91 178.16 2jjk h VAL 249 N 0.19 0.83 -0.50 -5.77 2.07 -1.94 0.25 116.25 111.39 2jjk h VAL 249 Ca 0.28 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2jjk h VAL 249 Cb 0.42 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2jjk h VAL 249 CO -0.40 0.02 0.32 0.00 0.02 0.00 0.00 177.57 177.54 2jjk h ALA 250 N 1.23 0.63 -0.25 1.67 0.00 -1.76 -0.53 119.26 120.26 2jjk h ALA 250 Ca 0.14 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2jjk h ALA 250 Cb 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jjk h ALA 250 CO -0.20 0.09 -0.31 -0.44 0.00 0.00 0.00 179.25 178.39 2jjk h ASP 251 N 0.67 0.70 -0.54 0.00 3.32 -0.67 -2.36 116.42 117.54 2jjk h ASP 251 Ca 0.18 -0.50 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 2jjk h ASP 251 Cb -0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2jjk h ASP 251 CO -0.04 1.06 0.10 0.58 -1.72 0.00 0.00 179.24 179.22 2jjk h VAL 252 N 0.35 1.25 -0.63 -1.35 2.07 -0.50 -1.88 116.25 115.57 2jjk h VAL 252 Ca 0.03 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 2jjk h VAL 252 Cb 0.89 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2jjk h VAL 252 CO 0.07 0.34 0.03 -0.74 0.02 0.00 0.00 177.57 177.29 2jjk h HIS 253 N 0.77 1.19 -0.70 1.57 -0.00 -1.07 0.69 115.15 117.59 2jjk h HIS 253 Ca 0.16 -0.19 0.06 0.00 -0.00 0.00 0.00 60.37 60.40 2jjk h HIS 253 Cb 0.38 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.43 2jjk h HIS 253 CO 0.03 1.02 0.41 -0.09 -0.00 0.00 0.00 177.93 179.30 2jjk h ARG 254 N 1.01 0.73 -0.54 5.26 2.43 -1.42 -0.82 114.38 121.03 2jjk h ARG 254 Ca 0.18 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2jjk h ARG 254 Cb 0.53 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2jjk h ARG 254 CO 0.03 0.48 0.34 1.15 -1.51 0.00 0.00 179.97 180.46 2jjk h THR 255 N 0.75 1.11 -0.56 0.20 2.02 -0.46 0.14 112.91 116.11 2jjk h THR 255 Ca 0.31 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.30 2jjk h THR 255 Cb 0.17 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 2jjk h THR 255 CO -0.17 0.13 0.30 0.25 0.37 0.00 0.00 175.52 176.39 2jjk h LEU 256 N 0.70 0.44 0.25 2.58 5.85 -0.52 0.22 115.31 124.84 2jjk h LEU 256 Ca 0.20 0.03 -0.34 0.00 0.84 0.00 0.00 57.88 58.61 2jjk h LEU 256 Cb -0.05 -0.06 0.04 0.00 0.37 0.00 0.00 40.66 40.96 2jjk h LEU 256 CO -0.06 0.30 -1.47 0.58 -0.34 0.00 0.00 178.44 177.45 2jjk h VAL 257 N 0.57 1.28 -0.01 1.05 2.07 -0.58 -3.38 116.25 117.26 2jjk h VAL 257 Ca 0.24 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 65.07 2jjk h VAL 257 Cb 0.13 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2jjk h VAL 257 CO -0.16 0.81 -0.59 -1.22 0.02 0.00 0.00 177.57 176.43 2jjk n TYR 258 N -3.73 0.00 0.00 1.57 4.01 0.43 -4.92 117.16 114.51 2jjk n TYR 258 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2jjk n TYR 258 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.13 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 1.30 -1.53 0.00 2.72 0.00 0.78 -4.61 105.19 103.86 2jjk n GLY 259 Ca 0.05 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.62 0.21 3.28 -0.02 0.00 -1.26 -4.54 105.19 101.25 2jjk n GLY 260 Ca 0.00 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 -0.01 -0.09 -0.61 2.07 -0.90 -0.62 121.20 121.04 2jjk s ILE 261 Ca 0.00 0.05 0.04 0.00 -1.41 0.00 0.00 60.65 59.33 2jjk s ILE 261 Cb 0.00 -0.59 -0.00 0.00 0.13 0.00 0.00 42.46 42.00 2jjk s ILE 261 CO 0.00 0.02 -0.23 0.12 -1.91 0.00 0.00 174.94 172.94 2jjk s PHE 262 N 0.81 2.56 -0.09 3.50 5.36 -0.40 -0.17 117.98 129.55 2jjk s PHE 262 Ca -0.05 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.02 2jjk s PHE 262 Cb -0.06 -1.69 0.02 0.00 -0.34 0.00 0.00 43.02 40.95 2jjk s PHE 262 CO -0.06 -0.34 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.75 2jjk s LEU 263 N 0.19 1.49 -0.56 6.12 1.02 0.84 -1.24 118.68 126.54 2jjk s LEU 263 Ca -0.14 -0.31 0.05 0.00 0.02 0.00 0.00 54.13 53.75 2jjk s LEU 263 Cb -0.17 -0.85 0.18 0.00 0.02 0.00 0.00 46.19 45.37 2jjk s LEU 263 CO 0.07 -0.02 0.46 0.00 0.02 0.00 0.00 176.35 176.87 2jjk n TYR 264 N 4.26 1.38 -2.57 0.29 4.19 0.14 -4.43 117.16 120.42 2jjk n TYR 264 Ca -0.19 -3.85 -0.24 0.00 3.31 0.00 0.00 57.90 56.93 2jjk n TYR 264 Cb 0.51 -0.25 0.04 0.00 0.49 0.00 0.00 39.34 40.13 2jjk n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2jjk s PRO 265 N -0.93 2.66 0.54 2.98 0.04 -1.26 -1.87 135.00 137.16 2jjk s PRO 265 Ca 0.30 -0.45 -0.18 0.00 0.04 0.00 0.00 61.00 60.71 2jjk s PRO 265 Cb 0.02 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 2jjk s PRO 265 CO -0.16 -0.73 1.06 0.00 0.04 0.00 0.00 177.00 177.21 2jjk s ALA 266 N -2.87 2.77 0.33 8.56 0.00 -1.26 -4.55 121.76 124.74 2jjk s ALA 266 Ca 0.55 0.56 0.04 0.00 0.00 0.00 0.00 51.96 53.11 2jjk s ALA 266 Cb -0.10 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 2jjk s ALA 266 CO 0.41 -0.62 0.36 0.27 0.00 0.00 0.00 175.76 176.17 2jjk n ASN 267 N -1.50 -0.95 -0.34 0.00 0.23 -0.20 -4.46 115.26 108.06 2jjk n ASN 267 Ca 0.10 -3.02 -0.00 0.00 -0.53 0.00 0.00 54.58 51.12 2jjk n ASN 267 Cb 0.52 1.97 0.13 0.00 -2.08 0.00 0.00 39.78 40.32 2jjk n ASN 267 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2jjk h LYS 268 N 0.00 1.09 0.00 -3.83 1.57 -1.93 -1.22 116.57 112.25 2jjk h LYS 268 Ca -0.24 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2jjk h LYS 268 Cb 1.16 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2jjk h LYS 268 CO 0.34 0.72 -0.21 1.63 -0.57 0.00 0.00 179.45 181.36 2jjk n LYS 269 N -4.53 0.01 -3.27 3.15 5.02 -1.26 -4.26 118.16 113.02 2jjk n LYS 269 Ca 0.12 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.19 2jjk n LYS 269 Cb 0.12 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.53 2jjk n LYS 269 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jjk n SER 270 N -1.53 -0.96 0.00 4.39 7.64 -0.69 -5.01 113.62 117.45 2jjk n SER 270 Ca 0.06 -2.48 0.13 0.00 1.01 0.00 0.00 58.87 57.59 2jjk n SER 270 Cb 0.34 -0.16 0.61 0.00 -1.01 0.00 0.00 64.21 63.99 2jjk n SER 270 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2jjk n PRO 271 N 2.77 0.12 -0.52 1.43 -0.04 -0.55 -1.03 135.00 137.18 2jjk n PRO 271 Ca 0.27 0.03 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 2jjk n PRO 271 Cb 0.50 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.73 2jjk n PRO 271 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jjk n ASN 272 N -1.43 4.10 0.00 3.54 5.03 -1.26 -4.77 115.26 120.46 2jjk n ASN 272 Ca 0.09 -3.04 0.00 0.00 0.87 0.00 0.00 54.58 52.50 2jjk n ASN 272 Cb 0.28 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 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 -0.39 0.02 0.00 7.41 0.00 -0.61 -1.31 105.19 110.31 2jjk n GLY 273 Ca 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2jjk n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jjk n LYS 274 N 0.00 2.27 -1.71 1.61 5.02 -1.26 -4.74 118.16 119.36 2jjk n LYS 274 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2jjk n LYS 274 Cb 0.00 -0.67 0.05 0.00 -0.02 0.00 0.00 35.03 34.39 2jjk n LYS 274 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jjk s LEU 275 N -1.66 3.33 0.00 -0.35 1.43 -1.26 -4.84 118.68 115.34 2jjk s LEU 275 Ca 0.00 1.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.83 2jjk s LEU 275 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 2jjk s LEU 275 CO 0.00 -1.62 0.56 -0.13 0.23 0.00 0.00 176.35 175.39 2jjk s ARG 276 N -4.28 4.26 0.00 1.70 1.81 -1.26 -1.46 118.95 119.72 2jjk s ARG 276 Ca 0.65 0.68 -0.25 0.00 -1.72 0.00 0.00 55.73 55.09 2jjk s ARG 276 Cb -0.19 -3.32 -0.19 0.00 -0.45 0.00 0.00 34.95 30.81 2jjk s ARG 276 CO 0.44 0.44 1.35 1.25 -0.68 0.00 0.00 175.30 178.10 2jjk h LEU 277 N 5.40 0.04 -1.17 2.53 5.85 -1.54 0.24 115.31 126.67 2jjk h LEU 277 Ca -0.46 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 57.79 2jjk h LEU 277 Cb 1.20 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2jjk h LEU 277 CO 0.68 0.44 -0.08 -0.07 -0.34 0.00 0.00 178.44 179.07 2jjk h LEU 278 N -0.35 0.45 -1.92 2.25 4.07 -1.79 0.83 115.31 118.86 2jjk h LEU 278 Ca 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2jjk h LEU 278 Cb 0.42 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.04 2jjk h LEU 278 CO 0.00 0.58 -0.25 0.00 -1.08 0.00 0.00 178.44 177.69 2jjk n TYR 279 N -4.24 0.00 0.09 1.13 4.11 -1.25 -4.52 117.16 112.49 2jjk n TYR 279 Ca 0.01 -0.17 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 2jjk n TYR 279 Cb 0.29 -0.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.58 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 -0.22 0.00 0.18 -3.48 1.02 -0.83 -3.98 120.64 113.33 2jjk n GLU 280 Ca 0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 2jjk n GLU 280 Cb 0.60 -0.21 -0.08 0.00 -0.02 0.00 0.00 31.44 31.73 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 -0.78 -0.13 -0.47 0.00 -0.26 -1.06 0.10 115.58 112.98 2jjk h ASN 282 Ca -0.05 0.03 0.06 0.00 -0.56 0.00 0.00 56.30 55.78 2jjk h ASN 282 Cb 0.51 0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 37.80 2jjk h ASN 282 CO 0.08 -0.06 0.17 -0.65 -1.06 0.00 0.00 177.43 175.91 2jjk h PRO 283 N -0.04 0.33 -0.26 0.81 0.11 -1.79 -1.42 132.00 129.74 2jjk h PRO 283 Ca 0.04 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 2jjk h PRO 283 Cb 0.10 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2jjk h PRO 283 CO -0.10 0.22 -0.25 0.52 -0.21 0.00 0.00 178.00 178.18 2jjk h MET 284 N 0.34 0.51 0.00 1.05 2.86 -1.30 -1.65 114.93 116.75 2jjk h MET 284 Ca 0.22 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2jjk h MET 284 Cb 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2jjk h MET 284 CO -0.22 0.72 -0.23 0.00 1.06 0.00 0.00 176.91 178.24 2jjk h ALA 285 N 1.28 1.27 0.20 6.32 0.00 -0.63 -1.27 119.26 126.42 2jjk h ALA 285 Ca 0.07 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 2jjk h ALA 285 Cb 0.68 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.46 2jjk h ALA 285 CO 0.05 0.29 -1.44 -0.92 0.00 0.00 0.00 179.25 177.23 2jjk h TYR 286 N 0.00 0.75 -0.06 0.00 3.20 -0.73 -2.13 116.97 118.00 2jjk h TYR 286 Ca -0.00 -0.55 0.03 0.00 3.14 0.00 0.00 58.73 61.34 2jjk h TYR 286 Cb 0.54 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 2jjk h TYR 286 CO 0.00 1.56 -0.11 0.28 -1.64 0.00 0.00 178.16 178.25 2jjk h VAL 287 N -0.02 0.71 -0.37 1.81 2.07 -1.18 -1.07 116.25 118.20 2jjk h VAL 287 Ca -0.27 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.31 2jjk h VAL 287 Cb 2.00 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2jjk h VAL 287 CO 0.19 0.00 0.06 0.24 0.02 0.00 0.00 177.57 178.08 2jjk h MET 288 N -0.15 0.17 -0.62 1.57 2.86 -1.24 -0.37 114.93 117.15 2jjk h MET 288 Ca 0.06 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2jjk h MET 288 Cb 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2jjk h MET 288 CO -0.15 0.11 0.12 0.93 1.06 0.00 0.00 176.91 178.98 2jjk h GLU 289 N 0.18 1.01 0.00 1.72 5.08 -1.30 1.79 114.58 123.06 2jjk h GLU 289 Ca 0.18 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2jjk h GLU 289 Cb 0.22 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jjk h GLU 289 CO -0.25 0.93 -0.27 0.87 -1.00 0.00 0.00 179.01 179.29 2jjk h LYS 290 N 0.92 0.00 -0.07 2.33 1.79 -0.71 -1.53 116.57 119.30 2jjk h LYS 290 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2jjk h LYS 290 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2jjk h LYS 290 CO 0.01 0.27 0.00 0.00 -1.08 0.00 0.00 179.45 178.65 2jjk n ALA 291 N -2.38 2.57 -0.60 3.86 0.00 -0.19 -4.41 120.51 119.36 2jjk n ALA 291 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2jjk n ALA 291 Cb 0.36 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.08 0.65 0.00 0.00 0.00 -0.48 -0.35 105.19 106.09 2jjk n GLY 292 Ca 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.53 2.66 3.22 -0.02 0.00 0.60 -4.54 105.19 104.58 2jjk n GLY 293 Ca 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.58 1.07 -0.23 1.61 1.00 -0.39 -3.90 119.30 117.88 2jjk s MET 294 Ca 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 55.69 54.13 2jjk s MET 294 Cb 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 34.83 34.85 2jjk s MET 294 CO 0.00 -0.18 0.41 0.00 0.00 0.00 0.00 175.02 175.25 2jjk s ALA 295 N -3.79 -1.20 0.27 3.03 0.00 -1.26 -1.35 121.76 117.46 2jjk s ALA 295 Ca 0.25 1.18 0.11 0.00 0.00 0.00 0.00 51.96 53.50 2jjk s ALA 295 Cb 0.07 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 2jjk s ALA 295 CO 0.04 -1.10 -0.19 -0.08 0.00 0.00 0.00 175.76 174.43 2jjk s THR 296 N 2.59 2.32 -2.46 0.00 -1.32 0.76 -2.17 115.64 115.37 2jjk s THR 296 Ca 0.09 -2.37 0.26 0.00 -1.21 0.00 0.00 61.69 58.46 2jjk s THR 296 Cb -0.14 -2.25 0.30 0.00 -1.51 0.00 0.00 72.50 68.90 2jjk s THR 296 CO -0.15 -0.44 1.46 0.35 -2.21 0.00 0.00 174.62 173.63 2jjk n THR 297 N -0.57 0.00 0.00 5.08 -2.24 0.76 -0.44 114.28 116.87 2jjk n THR 297 Ca -0.06 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2jjk n THR 297 Cb 0.60 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.30 3.10 0.03 3.38 0.00 -1.26 -4.72 105.19 107.02 2jjk n GLY 298 Ca 0.15 -0.93 0.01 0.00 0.00 0.00 0.00 46.02 45.25 2jjk n GLY 298 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jjk n LYS 299 N 0.00 1.18 -3.70 1.61 5.02 -1.26 -4.93 118.16 116.09 2jjk n LYS 299 Ca 0.00 -0.06 -0.08 0.00 -2.02 0.00 0.00 58.31 56.14 2jjk n LYS 299 Cb 0.00 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 2jjk n LYS 299 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2jjk s GLU 300 N -2.58 1.57 0.25 1.97 -1.05 -1.26 -5.13 118.70 112.46 2jjk s GLU 300 Ca -0.05 -0.79 -0.30 0.00 -0.15 0.00 0.00 54.97 53.68 2jjk s GLU 300 Cb 0.06 0.59 -0.10 0.00 -0.44 0.00 0.00 34.13 34.23 2jjk s GLU 300 CO 0.48 -0.71 1.44 0.00 0.95 0.00 0.00 175.26 177.42 2jjk s ALA 301 N -3.81 3.62 0.37 -0.84 0.00 -1.26 -0.17 121.76 119.67 2jjk s ALA 301 Ca 0.08 1.32 0.13 0.00 0.00 0.00 0.00 51.96 53.49 2jjk s ALA 301 Cb -0.04 -3.55 0.94 0.00 0.00 0.00 0.00 23.12 20.47 2jjk s ALA 301 CO -0.00 -0.74 1.82 0.28 0.00 0.00 0.00 175.76 177.12 2jjk h VAL 302 N 3.54 0.68 0.00 0.00 2.07 -1.72 0.05 116.25 120.87 2jjk h VAL 302 Ca -0.46 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2jjk h VAL 302 Cb 1.22 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2jjk h VAL 302 CO 0.78 0.10 0.00 -0.07 0.02 0.00 0.00 177.57 178.40 2jjk h LEU 303 N 0.56 0.00 0.00 2.57 3.38 -1.91 -2.83 115.31 117.08 2jjk h LEU 303 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2jjk h LEU 303 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2jjk h LEU 303 CO -0.26 0.00 -0.84 0.47 0.09 0.00 0.00 178.44 177.89 2jjk n ASP 304 N -2.68 0.68 -4.71 -0.43 8.00 0.00 -1.59 116.55 115.82 2jjk n ASP 304 Ca 0.01 -0.45 -0.42 0.00 0.71 0.00 0.00 54.79 54.64 2jjk n ASP 304 Cb 0.23 0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 41.97 2jjk n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jjk s VAL 305 N -3.07 2.27 -0.34 2.53 1.01 -1.07 -4.95 120.40 116.77 2jjk s VAL 305 Ca 0.07 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 2jjk s VAL 305 Cb 0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 2jjk s VAL 305 CO 0.79 0.00 0.27 -0.63 0.00 0.00 0.00 175.10 175.53 2jjk s ILE 306 N 1.85 5.26 0.38 2.22 -1.09 -1.26 -4.21 121.20 124.35 2jjk s ILE 306 Ca 0.77 -0.18 -0.25 0.00 -2.23 0.00 0.00 60.65 58.76 2jjk s ILE 306 Cb -0.48 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 2jjk s ILE 306 CO 0.34 -0.05 1.06 -2.84 -1.23 0.00 0.00 174.94 172.22 2jjk s PRO 307 N 1.79 4.23 -0.01 2.79 0.02 -1.26 -4.97 135.00 137.60 2jjk s PRO 307 Ca 0.07 1.57 0.06 0.00 0.02 0.00 0.00 61.00 62.73 2jjk s PRO 307 Cb -0.17 -2.65 -0.09 0.00 0.02 0.00 0.00 34.50 31.61 2jjk s PRO 307 CO 0.11 -0.10 0.19 0.25 -0.33 0.00 0.00 177.00 177.12 2jjk n THR 308 N 0.13 0.00 -3.88 0.99 -2.24 -1.26 -4.80 114.28 103.22 2jjk n THR 308 Ca 0.04 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 2jjk n THR 308 Cb 0.49 0.60 -0.15 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.30 0.16 0.56 3.42 3.68 -1.26 -5.06 116.67 115.86 2jjk s ASP 309 Ca -0.01 -0.00 0.31 0.00 2.13 0.00 0.00 52.55 54.99 2jjk s ASP 309 Cb 0.04 -0.07 1.63 0.00 -1.45 0.00 0.00 42.92 43.07 2jjk s ASP 309 CO 0.26 -0.05 2.12 0.16 0.13 0.00 0.00 175.17 177.79 2jjk h ILE 310 N 5.71 0.38 -0.52 4.11 3.07 -1.94 -2.23 117.51 126.10 2jjk h ILE 310 Ca -0.35 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 65.65 2jjk h ILE 310 Cb 1.16 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 2jjk h ILE 310 CO 0.49 0.07 0.00 1.41 -1.05 0.00 0.00 178.15 179.08 2jjk n HIS 311 N -3.48 0.69 -1.63 0.16 8.25 -1.26 -4.45 115.22 113.51 2jjk n HIS 311 Ca -0.02 -0.45 -0.37 0.00 -0.26 0.00 0.00 57.72 56.63 2jjk n HIS 311 Cb 0.21 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.38 2jjk n HIS 311 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jjk n GLN 312 N 1.17 0.95 -2.61 -0.41 10.64 -0.84 -4.75 117.38 121.53 2jjk n GLN 312 Ca 0.18 0.38 -0.27 0.00 -1.83 0.00 0.00 57.00 55.47 2jjk n GLN 312 Cb 0.53 -2.44 0.01 0.00 -0.86 0.00 0.00 30.24 27.49 2jjk n GLN 312 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2jjk s ARG 313 N -3.33 3.31 -0.15 2.61 0.52 -1.26 -1.51 118.95 119.14 2jjk s ARG 313 Ca 0.80 0.06 -0.13 0.00 -0.52 0.00 0.00 55.73 55.95 2jjk s ARG 313 Cb -0.38 -2.37 0.04 0.00 0.52 0.00 0.00 34.95 32.77 2jjk s ARG 313 CO 0.43 -0.35 0.38 0.00 0.02 0.00 0.00 175.30 175.78 2jjk s ALA 314 N -2.79 -0.95 0.57 2.13 0.00 -0.43 -4.67 121.76 115.62 2jjk s ALA 314 Ca 0.49 1.14 -0.18 0.00 0.00 0.00 0.00 51.96 53.41 2jjk s ALA 314 Cb -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 2jjk s ALA 314 CO 0.44 -0.19 1.11 -2.14 0.00 0.00 0.00 175.76 174.98 2jjk s PRO 315 N 0.37 3.26 -0.09 0.00 0.02 -0.99 -4.03 135.00 133.55 2jjk s PRO 315 Ca -0.01 1.52 -0.04 0.00 0.02 0.00 0.00 61.00 62.49 2jjk s PRO 315 Cb -0.04 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 32.53 2jjk s PRO 315 CO -0.01 -0.90 0.21 0.54 -0.33 0.00 0.00 177.00 176.50 2jjk s VAL 316 N -1.95 -0.06 -0.07 3.83 0.11 -0.78 -4.25 120.40 117.23 2jjk s VAL 316 Ca 0.71 0.17 -0.01 0.00 -2.93 0.00 0.00 61.98 59.92 2jjk s VAL 316 Cb -0.22 -0.33 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 2jjk s VAL 316 CO 0.30 0.07 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.50 2jjk s ILE 317 N 1.29 0.43 0.15 7.04 1.09 0.41 -0.69 121.20 130.93 2jjk s ILE 317 Ca -0.09 0.05 -0.04 0.00 -1.10 0.00 0.00 60.65 59.47 2jjk s ILE 317 Cb -0.11 -0.55 -0.03 0.00 -1.06 0.00 0.00 42.46 40.71 2jjk s ILE 317 CO -0.08 0.25 0.16 -1.48 -0.10 0.00 0.00 174.94 173.69 2jjk s LEU 318 N 1.70 1.37 0.00 2.97 0.05 -0.37 -0.17 118.68 124.23 2jjk s LEU 318 Ca 0.01 -1.10 0.00 0.00 0.05 0.00 0.00 54.13 53.09 2jjk s LEU 318 Cb -0.13 0.66 0.00 0.00 -2.05 0.00 0.00 46.19 44.68 2jjk s LEU 318 CO -0.04 -0.81 0.00 0.61 -0.55 0.00 0.00 176.35 175.56 2jjk n GLY 319 N -0.16 0.78 3.69 -3.48 0.00 -0.46 -1.27 105.19 104.28 2jjk n GLY 319 Ca -0.05 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 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 2.67 -0.12 1.61 7.64 0.21 -1.26 113.62 124.37 2jjk n SER 320 Ca 0.00 1.21 -0.09 0.00 1.01 0.00 0.00 58.87 60.99 2jjk n SER 320 Cb 0.00 -1.47 -0.01 0.00 -1.01 0.00 0.00 64.21 61.72 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 2.53 0.55 -0.95 1.43 0.13 -1.71 -1.44 132.00 132.53 2jjk h PRO 321 Ca -0.46 -0.09 0.21 0.00 -0.87 0.00 0.00 66.00 64.79 2jjk h PRO 321 Cb 1.29 -0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2jjk h PRO 321 CO 0.62 0.52 0.62 -0.44 -0.23 0.00 0.00 178.00 179.09 2jjk h ASP 322 N 0.45 0.48 0.08 1.44 5.19 -1.43 0.46 116.42 123.10 2jjk h ASP 322 Ca 0.12 0.06 -0.14 0.00 -0.62 0.00 0.00 57.03 56.45 2jjk h ASP 322 Cb 0.17 -0.03 0.02 0.00 0.18 0.00 0.00 39.33 39.67 2jjk h ASP 322 CO -0.01 0.17 -0.62 0.44 -3.12 0.00 0.00 179.24 176.10 2jjk h ASP 323 N 0.47 0.40 -0.41 6.45 3.32 -1.58 -1.89 116.42 123.18 2jjk h ASP 323 Ca 0.51 -0.91 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 2jjk h ASP 323 Cb 1.20 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 2jjk h ASP 323 CO -0.23 1.27 -0.04 0.58 -1.72 0.00 0.00 179.24 179.10 2jjk h VAL 324 N -0.41 1.25 -0.61 -1.35 2.07 -0.98 -0.47 116.25 115.74 2jjk h VAL 324 Ca -0.10 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 2jjk h VAL 324 Cb 1.44 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2jjk h VAL 324 CO 0.12 0.38 0.09 -0.07 0.02 0.00 0.00 177.57 178.10 2jjk h LEU 325 N 0.76 0.95 -0.62 2.57 3.38 -0.96 -1.40 115.31 120.00 2jjk h LEU 325 Ca 0.14 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2jjk h LEU 325 Cb 0.52 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2jjk h LEU 325 CO 0.03 0.96 0.23 -0.08 0.09 0.00 0.00 178.44 179.67 2jjk h GLU 326 N 0.93 0.93 -0.69 1.13 4.81 -0.92 0.90 114.58 121.67 2jjk h GLU 326 Ca 0.19 -0.18 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2jjk h GLU 326 Cb 0.42 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 2jjk h GLU 326 CO 0.01 0.80 0.35 0.35 -0.73 0.00 0.00 179.01 179.79 2jjk h PHE 327 N 0.87 0.62 -0.27 0.92 3.57 -0.92 -2.05 116.94 119.69 2jjk h PHE 327 Ca 0.20 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.60 2jjk h PHE 327 Cb 0.23 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2jjk h PHE 327 CO 0.01 0.24 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.87 2jjk h LEU 328 N 0.60 0.67 -0.54 0.59 3.38 -0.27 0.21 115.31 119.95 2jjk h LEU 328 Ca 0.33 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 58.12 2jjk h LEU 328 Cb 0.33 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 2jjk h LEU 328 CO -0.25 0.99 0.00 0.50 0.09 0.00 0.00 178.44 179.77 2jjk h LYS 329 N 0.52 0.12 -0.15 1.13 3.64 -0.64 0.15 116.57 121.34 2jjk h LYS 329 Ca 0.05 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 2jjk h LYS 329 Cb 0.91 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2jjk h LYS 329 CO 0.08 0.08 -0.70 0.28 -2.27 0.00 0.00 179.45 176.92 2jjk h VAL 330 N 0.12 1.32 -0.05 2.00 2.07 -0.71 -2.51 116.25 118.49 2jjk h VAL 330 Ca 0.28 -1.97 0.03 0.00 0.82 0.00 0.00 66.70 65.86 2jjk h VAL 330 Cb 0.43 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2jjk h VAL 330 CO -0.46 0.61 -0.14 0.22 0.02 0.00 0.00 177.57 177.83 2jjk h TYR 331 N 0.45 -0.36 -0.27 1.57 3.20 -0.23 -2.95 116.97 118.39 2jjk h TYR 331 Ca -0.03 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 2jjk h TYR 331 Cb 1.30 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 2jjk h TYR 331 CO 0.06 -0.21 -0.19 0.93 -1.64 0.00 0.00 178.16 177.12 2jjk h GLU 332 N -0.21 0.49 -0.99 1.82 5.08 -0.97 -1.87 114.58 117.92 2jjk h GLU 332 Ca 0.06 -0.16 0.19 0.00 -1.00 0.00 0.00 59.36 58.46 2jjk h GLU 332 Cb 0.30 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 2jjk h GLU 332 CO -0.17 0.66 0.61 -0.22 -1.00 0.00 0.00 179.01 178.89 2jjk h LYS 333 N 0.44 0.69 -0.01 2.33 3.64 -1.28 -2.04 116.57 120.33 2jjk h LYS 333 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2jjk h LYS 333 Cb 0.58 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2jjk h LYS 333 CO 0.04 0.45 -0.40 0.72 -2.27 0.00 0.00 179.45 177.99 2jjk n HIS 334 N -4.72 0.00 -3.00 1.91 8.25 -0.76 -4.84 115.22 112.06 2jjk n HIS 334 Ca 0.23 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.29 2jjk n HIS 334 Cb 0.60 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 2jjk n HIS 334 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2jjk s SER 335 N -2.62 7.08 0.00 0.41 0.01 -0.77 -5.01 113.70 112.81 2jjk s SER 335 Ca 0.20 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.76 2jjk s SER 335 Cb 0.18 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2jjk s SER 335 CO 0.59 -0.09 0.00 0.00 0.41 0.00 0.00 173.24 174.15