#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc1 n VAL 10 N 0.00 4.43 -3.96 2.12 3.14 -1.26 -5.03 118.33 117.77 3kc1 n VAL 10 Ca 0.00 -0.50 -0.11 0.00 -2.96 0.00 0.00 64.34 60.77 3kc1 n VAL 10 Cb 0.00 -1.48 -0.12 0.00 -1.06 0.00 0.00 33.84 31.18 3kc1 n VAL 10 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3kc1 s ASN 11 N -1.22 0.23 0.37 6.55 3.84 -1.26 -5.08 114.94 118.37 3kc1 s ASN 11 Ca 0.78 -0.32 0.08 0.00 0.21 0.00 0.00 52.86 53.62 3kc1 s ASN 11 Cb -0.40 0.05 -0.07 0.00 -0.55 0.00 0.00 41.25 40.28 3kc1 s ASN 11 CO 0.44 -0.18 -0.04 0.42 -2.79 0.00 0.00 177.10 174.95 3kc1 s THR 12 N -0.91 2.15 0.18 -5.21 -4.23 -1.26 -1.56 115.64 104.80 3kc1 s THR 12 Ca -0.09 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.20 3kc1 s THR 12 Cb -0.06 -2.81 0.10 0.00 1.34 0.00 0.00 72.50 71.07 3kc1 s THR 12 CO -0.01 -0.11 1.74 0.25 -0.54 0.00 0.00 174.62 175.95 3kc1 h LEU 13 N 1.90 0.90 -0.06 4.79 5.85 -1.45 0.68 115.31 127.92 3kc1 h LEU 13 Ca -0.43 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.12 3kc1 h LEU 13 Cb 1.25 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3kc1 h LEU 13 CO 0.75 0.83 0.01 0.74 -0.34 0.00 0.00 178.44 180.43 3kc1 h THR 14 N 0.92 0.98 -0.43 1.05 2.02 -1.97 -0.65 112.91 114.83 3kc1 h THR 14 Ca 0.22 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 3kc1 h THR 14 Cb 0.22 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3kc1 h THR 14 CO -0.02 0.01 0.10 -0.09 0.37 0.00 0.00 175.52 175.89 3kc1 h ARG 15 N 0.04 0.68 0.01 6.66 2.43 -1.91 -1.50 114.38 120.80 3kc1 h ARG 15 Ca 0.03 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3kc1 h ARG 15 Cb 0.02 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3kc1 h ARG 15 CO -0.04 0.70 -0.01 0.35 -1.51 0.00 0.00 179.97 179.46 3kc1 h PHE 16 N 0.55 -0.03 -0.57 2.20 3.57 -0.71 -1.82 116.94 120.13 3kc1 h PHE 16 Ca 0.13 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3kc1 h PHE 16 Cb 0.32 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3kc1 h PHE 16 CO 0.02 -0.02 0.18 0.28 -2.23 0.00 0.00 178.31 176.54 3kc1 h VAL 17 N -0.03 1.24 -0.73 1.41 2.07 -1.09 -1.94 116.25 117.18 3kc1 h VAL 17 Ca 0.00 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3kc1 h VAL 17 Cb 0.03 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3kc1 h VAL 17 CO -0.01 0.31 0.46 -0.03 0.02 0.00 0.00 177.57 178.32 3kc1 h MET 18 N 0.81 0.98 -0.05 1.57 1.85 -1.14 0.05 114.93 118.99 3kc1 h MET 18 Ca 0.19 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.20 3kc1 h MET 18 Cb 0.29 -0.21 -0.00 0.00 0.43 0.00 0.00 31.60 32.10 3kc1 h MET 18 CO -0.01 0.67 0.01 1.49 -0.40 0.00 0.00 176.91 178.67 3kc1 h GLU 19 N 0.99 0.08 -0.82 0.39 4.81 -1.15 -0.69 114.58 118.21 3kc1 h GLU 19 Ca 0.26 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3kc1 h GLU 19 Cb -0.08 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3kc1 h GLU 19 CO -0.05 0.33 0.48 0.93 -0.73 0.00 0.00 179.01 179.97 3kc1 h GLU 20 N -0.18 1.11 -0.82 1.92 4.39 -1.22 -1.93 114.58 117.86 3kc1 h GLU 20 Ca 0.01 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3kc1 h GLU 20 Cb 0.29 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3kc1 h GLU 20 CO 0.00 0.79 0.42 0.78 -1.16 0.00 0.00 179.01 179.84 3kc1 h GLY 21 N 1.12 1.24 1.02 -3.84 0.00 -0.85 -2.40 103.07 99.36 3kc1 h GLY 21 Ca 0.29 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3kc1 h GLY 21 CO -0.05 0.56 0.46 -0.09 0.00 0.00 0.00 176.54 177.41 3kc1 h ARG 22 N 1.15 1.16 0.00 4.80 2.43 -0.48 -2.28 114.38 121.17 3kc1 h ARG 22 Ca 0.28 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3kc1 h ARG 22 Cb 0.08 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3kc1 h ARG 22 CO -0.04 0.85 -0.21 0.87 -1.51 0.00 0.00 179.97 179.93 3kc1 h LYS 23 N 1.16 0.00 0.00 0.20 1.57 -0.88 -2.32 116.57 116.30 3kc1 h LYS 23 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3kc1 h LYS 23 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kc1 h LYS 23 CO -0.05 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 3kc1 h ALA 24 N 1.79 1.00 -6.36 3.86 0.00 -1.04 -3.47 119.26 115.03 3kc1 h ALA 24 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.43 3kc1 h ALA 24 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3kc1 h ALA 24 CO 0.03 0.00 -0.85 0.54 0.00 0.00 0.00 179.25 178.97 3kc1 n ARG 25 N -2.55 -4.06 0.00 0.00 1.74 -0.87 -4.98 116.66 105.94 3kc1 n ARG 25 Ca 0.04 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 3kc1 n ARG 25 Cb 0.38 -4.89 0.00 0.00 -1.02 0.00 0.00 32.46 26.93 3kc1 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kc1 n GLY 26 N -1.77 2.87 0.11 -0.13 0.00 -1.26 -5.03 105.19 99.98 3kc1 n GLY 26 Ca -0.24 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.10 3kc1 n GLY 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kc1 h THR 27 N 0.00 0.00 0.00 2.61 1.35 -1.94 -3.48 112.91 111.46 3kc1 h THR 27 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 3kc1 h THR 27 Cb 0.00 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3kc1 h THR 27 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3kc1 n GLY 28 N 1.21 0.63 0.14 5.82 0.00 -1.26 -4.98 105.19 106.74 3kc1 n GLY 28 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3kc1 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kc1 h GLU 29 N 4.46 -0.22 -0.43 1.61 5.08 -1.97 -2.16 114.58 120.95 3kc1 h GLU 29 Ca 0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3kc1 h GLU 29 Cb 0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3kc1 h GLU 29 CO 0.00 -0.14 0.29 1.25 -1.00 0.00 0.00 179.01 179.41 3kc1 h LEU 30 N -0.23 0.39 -0.12 1.33 5.85 -1.94 0.16 115.31 120.76 3kc1 h LEU 30 Ca -0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kc1 h LEU 30 Cb 0.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3kc1 h LEU 30 CO -0.02 0.27 0.04 0.74 -0.34 0.00 0.00 178.44 179.13 3kc1 h THR 31 N 0.45 1.16 -0.54 1.05 2.02 -1.83 -0.30 112.91 114.92 3kc1 h THR 31 Ca 0.18 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 3kc1 h THR 31 Cb 0.15 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3kc1 h THR 31 CO -0.04 0.14 0.05 1.56 0.37 0.00 0.00 175.52 177.60 3kc1 h GLN 32 N 0.03 0.88 -0.12 6.66 1.08 -0.63 -0.51 115.11 122.49 3kc1 h GLN 32 Ca 0.04 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 3kc1 h GLN 32 Cb 0.19 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3kc1 h GLN 32 CO -0.00 0.85 0.07 1.25 -0.95 0.00 0.00 178.83 180.05 3kc1 h LEU 33 N 0.83 0.15 -0.81 1.46 6.46 -0.50 -0.89 115.31 122.00 3kc1 h LEU 33 Ca 0.16 -0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 3kc1 h LEU 33 Cb 0.43 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 3kc1 h LEU 33 CO 0.01 0.18 -0.11 -0.07 -0.62 0.00 0.00 178.44 177.83 3kc1 h LEU 34 N 0.11 0.76 -0.37 2.25 3.38 -0.86 -0.30 115.31 120.28 3kc1 h LEU 34 Ca 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3kc1 h LEU 34 Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3kc1 h LEU 34 CO -0.01 0.90 0.18 0.78 0.09 0.00 0.00 178.44 180.38 3kc1 h ASN 35 N 0.70 0.49 -0.59 -0.43 -0.26 -0.91 0.90 115.58 115.47 3kc1 h ASN 35 Ca 0.12 -0.12 -0.06 0.00 -0.56 0.00 0.00 56.30 55.67 3kc1 h ASN 35 Cb 0.59 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 3kc1 h ASN 35 CO 0.04 0.47 0.12 0.28 -1.06 0.00 0.00 177.43 177.29 3kc1 h SER 36 N 0.46 0.92 -0.64 5.81 0.02 -0.95 -1.68 113.55 117.49 3kc1 h SER 36 Ca 0.13 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3kc1 h SER 36 Cb 0.11 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3kc1 h SER 36 CO -0.02 0.93 0.25 0.25 -1.14 0.00 0.00 176.83 177.10 3kc1 h LEU 37 N 0.87 0.89 -0.41 5.07 5.85 -0.79 -1.64 115.31 125.15 3kc1 h LEU 37 Ca 0.18 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3kc1 h LEU 37 Cb 0.38 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3kc1 h LEU 37 CO 0.01 0.82 0.22 0.00 -0.34 0.00 0.00 178.44 179.15 3kc1 h THR 39 N 0.45 1.21 -0.71 0.00 2.02 -1.06 -1.96 112.91 112.87 3kc1 h THR 39 Ca 0.17 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 3kc1 h THR 39 Cb 0.04 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3kc1 h THR 39 CO -0.10 0.23 0.39 0.00 0.37 0.00 0.00 175.52 176.41 3kc1 h ALA 40 N 1.17 0.91 -0.78 6.16 0.00 -0.72 -2.05 119.26 123.95 3kc1 h ALA 40 Ca 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kc1 h ALA 40 Cb 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3kc1 h ALA 40 CO -0.04 0.43 0.40 0.28 0.00 0.00 0.00 179.25 180.32 3kc1 h VAL 41 N 0.98 1.24 -0.25 0.00 2.07 -0.65 0.45 116.25 120.08 3kc1 h VAL 41 Ca 0.25 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 3kc1 h VAL 41 Cb 0.04 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3kc1 h VAL 41 CO -0.04 0.28 -0.25 0.11 0.02 0.00 0.00 177.57 177.69 3kc1 h LYS 42 N 1.10 0.49 -0.34 1.57 1.57 -0.98 0.59 116.57 120.56 3kc1 h LYS 42 Ca 0.27 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 3kc1 h LYS 42 Cb 0.07 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kc1 h LYS 42 CO -0.04 0.70 -0.43 0.00 -0.57 0.00 0.00 179.45 179.12 3kc1 h ALA 43 N 1.31 0.52 -0.39 3.86 0.00 -0.66 -1.40 119.26 122.49 3kc1 h ALA 43 Ca 0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3kc1 h ALA 43 Cb 0.67 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3kc1 h ALA 43 CO 0.05 0.65 0.04 0.82 0.00 0.00 0.00 179.25 180.81 3kc1 h ILE 44 N 0.70 1.25 -0.29 0.00 2.04 -0.67 -2.07 117.51 118.46 3kc1 h ILE 44 Ca 0.04 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3kc1 h ILE 44 Cb 1.02 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3kc1 h ILE 44 CO 0.10 0.31 0.05 -1.28 0.00 0.00 0.00 178.15 177.33 3kc1 h SER 45 N 0.49 -0.00 -0.44 1.72 0.87 -0.78 0.18 113.55 115.58 3kc1 h SER 45 Ca 0.11 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.79 3kc1 h SER 45 Cb 0.40 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 3kc1 h SER 45 CO 0.01 0.04 0.11 -1.28 -0.53 0.00 0.00 176.83 175.18 3kc1 h SER 46 N 0.16 0.06 -0.42 6.23 0.87 -1.08 -0.67 113.55 118.69 3kc1 h SER 46 Ca 0.14 0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.64 3kc1 h SER 46 Cb 0.15 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3kc1 h SER 46 CO -0.19 0.06 -0.23 0.00 -0.53 0.00 0.00 176.83 175.95 3kc1 h ALA 47 N 1.33 0.73 -0.81 6.23 0.00 -0.86 -2.67 119.26 123.21 3kc1 h ALA 47 Ca 0.22 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kc1 h ALA 47 Cb 0.26 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3kc1 h ALA 47 CO -0.26 0.67 0.44 0.28 0.00 0.00 0.00 179.25 180.38 3kc1 h VAL 48 N 0.81 1.24 0.00 0.00 2.07 -0.12 -0.42 116.25 119.82 3kc1 h VAL 48 Ca 0.10 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kc1 h VAL 48 Cb 0.80 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3kc1 h VAL 48 CO 0.07 0.27 0.00 0.54 0.02 0.00 0.00 177.57 178.46 3kc1 n ARG 49 N -4.41 0.66 -2.71 1.57 3.00 -0.31 -4.88 116.66 109.58 3kc1 n ARG 49 Ca 0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.78 3kc1 n ARG 49 Cb 0.09 -1.36 0.02 0.00 0.00 0.00 0.00 32.46 31.21 3kc1 n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kc1 n LYS 50 N -0.86 -2.96 -1.98 5.56 4.76 -0.17 -4.99 118.16 117.52 3kc1 n LYS 50 Ca 0.11 0.56 -0.41 0.00 -2.87 0.00 0.00 58.31 55.70 3kc1 n LYS 50 Cb 0.05 -4.69 -0.02 0.00 -1.84 0.00 0.00 35.03 28.53 3kc1 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kc1 s ALA 51 N -2.92 3.66 0.00 7.82 0.00 -1.01 -2.08 121.76 127.23 3kc1 s ALA 51 Ca 0.18 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3kc1 s ALA 51 Cb -0.08 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3kc1 s ALA 51 CO 0.22 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3kc1 n GLY 52 N 2.49 0.84 0.31 0.00 0.00 -1.26 -4.86 105.19 102.71 3kc1 n GLY 52 Ca 0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 3kc1 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc1 h ILE 53 N 0.00 0.46 -0.61 -0.61 2.10 -1.82 -1.22 117.51 115.81 3kc1 h ILE 53 Ca 0.00 0.00 0.03 0.00 1.08 0.00 0.00 64.86 65.97 3kc1 h ILE 53 Cb 0.00 0.96 -0.03 0.00 -1.09 0.00 0.00 36.82 36.65 3kc1 h ILE 53 CO 0.00 0.00 0.40 0.00 -1.08 0.00 0.00 178.15 177.47 3kc1 h ALA 54 N 1.94 1.68 0.00 0.18 0.00 -1.90 -0.57 119.26 120.58 3kc1 h ALA 54 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kc1 h ALA 54 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kc1 h ALA 54 CO -0.00 0.26 -0.38 0.45 0.00 0.00 0.00 179.25 179.58 3kc1 h HIS 55 N 0.72 0.00 0.00 0.00 3.86 -1.62 -2.19 115.15 115.92 3kc1 h HIS 55 Ca 0.24 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.34 3kc1 h HIS 55 Cb 0.08 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3kc1 h HIS 55 CO -0.00 0.38 -0.54 1.25 0.86 0.00 0.00 177.93 179.88 3kc1 h LEU 56 N 0.00 0.00 -3.01 2.43 5.85 -1.17 -3.03 115.31 116.38 3kc1 h LEU 56 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kc1 h LEU 56 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3kc1 h LEU 56 CO 0.05 0.54 0.00 -1.22 -0.34 0.00 0.00 178.44 177.47 3kc1 n TYR 57 N -3.77 1.63 -1.04 1.25 4.02 -0.88 -4.94 117.16 113.43 3kc1 n TYR 57 Ca -0.01 -0.57 0.00 0.00 -0.01 0.00 0.00 57.90 57.31 3kc1 n TYR 57 Cb 0.57 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 3kc1 n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kc1 n GLY 58 N 0.55 0.51 0.28 2.72 0.00 -1.14 -4.96 105.19 103.14 3kc1 n GLY 58 Ca 0.22 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.46 3kc1 n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc1 h ILE 59 N 0.00 0.80 -0.50 -0.61 2.10 -1.63 -1.01 117.51 116.66 3kc1 h ILE 59 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 3kc1 h ILE 59 Cb 0.20 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.93 3kc1 h ILE 59 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3kc1 n ALA 60 N -2.45 2.82 -0.16 0.18 0.00 -1.26 -5.07 120.51 114.57 3kc1 n ALA 60 Ca -0.03 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.78 3kc1 n ALA 60 Cb 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3kc1 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc1 n GLY 61 N 0.65 0.92 3.84 0.00 0.00 -0.39 -5.21 105.19 105.00 3kc1 n GLY 61 Ca 0.21 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3kc1 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kc1 s LYS 72 N -0.70 3.28 0.24 1.61 2.20 -1.26 -4.73 119.74 120.37 3kc1 s LYS 72 Ca 0.00 -0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 55.22 3kc1 s LYS 72 Cb 0.00 -3.02 0.22 0.00 -1.51 0.00 0.00 37.83 33.52 3kc1 s LYS 72 CO 0.00 0.70 1.89 1.25 -0.36 0.00 0.00 175.35 178.83 3kc1 h LEU 73 N 4.41 1.11 -0.51 5.43 5.85 -1.99 -0.64 115.31 128.98 3kc1 h LEU 73 Ca -0.51 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.16 3kc1 h LEU 73 Cb 1.20 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3kc1 h LEU 73 CO 0.62 0.85 0.32 0.44 -0.34 0.00 0.00 178.44 180.32 3kc1 h ASP 74 N 1.28 0.52 -0.32 1.25 3.45 -1.97 0.12 116.42 120.75 3kc1 h ASP 74 Ca 0.33 -0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.70 3kc1 h ASP 74 Cb -0.06 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3kc1 h ASP 74 CO -0.06 0.37 -0.18 0.58 -1.57 0.00 0.00 179.24 178.38 3kc1 h VAL 75 N 0.63 1.29 -0.69 -1.35 2.07 -1.91 -1.73 116.25 114.57 3kc1 h VAL 75 Ca 0.20 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3kc1 h VAL 75 Cb -0.01 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3kc1 h VAL 75 CO -0.08 0.42 0.44 0.25 0.02 0.00 0.00 177.57 178.62 3kc1 h LEU 76 N 0.44 0.80 -0.66 2.57 5.85 -0.86 -0.73 115.31 122.72 3kc1 h LEU 76 Ca 0.07 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3kc1 h LEU 76 Cb 0.72 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3kc1 h LEU 76 CO 0.05 0.60 0.33 0.28 -0.34 0.00 0.00 178.44 179.37 3kc1 h SER 77 N 0.93 0.85 -0.59 1.25 0.02 -0.65 -0.20 113.55 115.16 3kc1 h SER 77 Ca 0.25 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3kc1 h SER 77 Cb -0.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3kc1 h SER 77 CO -0.05 0.73 0.13 -1.13 -1.14 0.00 0.00 176.83 175.36 3kc1 h ASN 78 N 0.91 0.91 -0.78 3.07 -1.24 -0.94 -1.81 115.58 115.69 3kc1 h ASN 78 Ca 0.23 -0.24 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 3kc1 h ASN 78 Cb 0.09 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.86 3kc1 h ASN 78 CO -0.03 0.92 0.44 0.44 -1.29 0.00 0.00 177.43 177.91 3kc1 h ASP 79 N 0.86 0.96 -0.03 1.15 3.32 -0.67 0.44 116.42 122.46 3kc1 h ASP 79 Ca 0.18 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3kc1 h ASP 79 Cb 0.37 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3kc1 h ASP 79 CO 0.01 0.77 0.01 -0.07 -1.72 0.00 0.00 179.24 178.24 3kc1 h LEU 80 N 1.08 0.04 -0.09 1.55 3.38 -0.76 -0.55 115.31 119.95 3kc1 h LEU 80 Ca 0.28 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3kc1 h LEU 80 Cb 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kc1 h LEU 80 CO -0.05 0.16 0.03 0.58 0.09 0.00 0.00 178.44 179.25 3kc1 h VAL 81 N -0.09 1.17 0.06 1.22 2.07 -1.15 -1.49 116.25 118.05 3kc1 h VAL 81 Ca 0.01 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3kc1 h VAL 81 Cb 0.13 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3kc1 h VAL 81 CO -0.00 0.15 -0.23 0.24 0.02 0.00 0.00 177.57 177.75 3kc1 h MET 82 N -0.04 -0.38 -0.50 1.57 2.86 -0.88 -0.18 114.93 117.38 3kc1 h MET 82 Ca 0.03 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3kc1 h MET 82 Cb 0.22 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3kc1 h MET 82 CO -0.00 -0.26 0.18 -0.91 1.06 0.00 0.00 176.91 176.99 3kc1 h ASN 83 N -0.40 0.70 -0.55 1.22 2.35 -1.10 -0.73 115.58 117.07 3kc1 h ASN 83 Ca 0.04 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 3kc1 h ASN 83 Cb 0.45 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3kc1 h ASN 83 CO -0.17 0.69 0.08 0.24 -1.65 0.00 0.00 177.43 176.62 3kc1 h MET 84 N 0.66 0.92 -0.32 0.81 2.86 -1.14 -1.11 114.93 117.62 3kc1 h MET 84 Ca 0.16 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 3kc1 h MET 84 Cb 0.22 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3kc1 h MET 84 CO -0.01 0.89 0.05 -0.07 1.06 0.00 0.00 176.91 178.83 3kc1 h LEU 85 N 0.81 0.50 -0.37 1.22 3.38 -0.91 -2.19 115.31 117.76 3kc1 h LEU 85 Ca 0.17 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kc1 h LEU 85 Cb 0.43 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3kc1 h LEU 85 CO 0.01 0.64 0.23 0.11 0.09 0.00 0.00 178.44 179.52 3kc1 h LYS 86 N 0.35 0.49 0.00 1.13 1.57 -1.05 -2.15 116.57 116.92 3kc1 h LYS 86 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kc1 h LYS 86 Cb 0.35 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kc1 h LYS 86 CO 0.01 0.36 0.00 -1.13 -0.57 0.00 0.00 179.45 178.12 3kc1 n SER 87 N -4.80 0.00 0.18 0.86 3.41 -0.43 -2.47 113.62 110.37 3kc1 n SER 87 Ca -0.00 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.68 3kc1 n SER 87 Cb 0.05 -0.24 0.28 0.00 -0.26 0.00 0.00 64.21 64.03 3kc1 n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kc1 h SER 88 N 0.00 0.00 -0.60 4.04 4.64 -0.72 -3.47 113.55 117.44 3kc1 h SER 88 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 3kc1 h SER 88 Cb 0.13 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.12 3kc1 h SER 88 CO 0.00 0.00 -0.23 0.49 -0.87 0.00 0.00 176.83 176.22 3kc1 n PHE 89 N -2.78 0.00 0.46 4.77 3.01 -1.03 -4.78 117.46 117.10 3kc1 n PHE 89 Ca 0.04 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.56 3kc1 n PHE 89 Cb 0.48 -2.58 0.02 0.00 -0.01 0.00 0.00 39.48 37.39 3kc1 n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kc1 n ALA 90 N 1.23 2.71 -2.46 4.37 0.00 -1.26 -3.52 120.51 121.58 3kc1 n ALA 90 Ca -0.13 -0.49 -0.23 0.00 0.00 0.00 0.00 53.44 52.59 3kc1 n ALA 90 Cb 0.52 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 3kc1 n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kc1 s THR 91 N -1.21 2.15 0.00 0.00 -4.23 -1.26 -1.61 115.64 109.49 3kc1 s THR 91 Ca 0.10 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3kc1 s THR 91 Cb 0.09 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3kc1 s THR 91 CO 0.21 -0.36 0.00 0.00 -0.54 0.00 0.00 174.62 173.94 3kc1 s VAL 93 N -1.04 0.36 -0.15 0.00 1.01 -1.24 -1.67 120.40 117.67 3kc1 s VAL 93 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3kc1 s VAL 93 Cb 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.97 3kc1 s VAL 93 CO 0.00 0.19 -0.13 -0.76 0.00 0.00 0.00 175.10 174.41 3kc1 s LEU 94 N 1.09 1.63 -0.20 3.92 1.43 0.31 -1.51 118.68 125.35 3kc1 s LEU 94 Ca -0.09 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 3kc1 s LEU 94 Cb -0.14 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3kc1 s LEU 94 CO -0.01 -0.08 -0.03 -0.69 0.23 0.00 0.00 176.35 175.77 3kc1 s VAL 95 N 1.52 3.59 0.05 -1.59 1.01 0.33 -0.24 120.40 125.06 3kc1 s VAL 95 Ca 0.05 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3kc1 s VAL 95 Cb -0.13 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3kc1 s VAL 95 CO -0.10 0.44 -0.20 -0.55 0.00 0.00 0.00 175.10 174.68 3kc1 s SER 96 N 1.15 2.43 0.59 3.32 0.15 -1.26 -0.56 113.70 119.53 3kc1 s SER 96 Ca 0.02 -0.54 0.29 0.00 0.70 0.00 0.00 55.95 56.43 3kc1 s SER 96 Cb -0.15 -0.19 1.78 0.00 -1.71 0.00 0.00 66.02 65.75 3kc1 s SER 96 CO -0.00 0.14 2.22 -0.08 1.20 0.00 0.00 173.24 176.72 3kc1 h GLU 97 N 4.79 0.00 0.00 5.44 4.22 -1.85 -1.80 114.58 125.37 3kc1 h GLU 97 Ca -0.43 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.01 3kc1 h GLU 97 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3kc1 h GLU 97 CO 0.43 0.00 -0.33 0.39 -2.18 0.00 0.00 179.01 177.33 3kc1 n GLU 98 N -3.85 0.22 -5.10 1.92 -0.58 -1.26 -4.88 120.64 107.11 3kc1 n GLU 98 Ca -0.02 0.11 -0.32 0.00 -0.42 0.00 0.00 57.16 56.51 3kc1 n GLU 98 Cb 0.14 -1.68 -0.15 0.00 -0.57 0.00 0.00 31.44 29.17 3kc1 n GLU 98 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3kc1 s ASP 99 N -4.05 3.46 0.08 1.62 1.01 -0.68 -5.04 116.67 113.08 3kc1 s ASP 99 Ca 0.09 -0.39 -0.21 0.00 0.71 0.00 0.00 52.55 52.75 3kc1 s ASP 99 Cb 0.14 -0.86 -0.11 0.00 1.01 0.00 0.00 42.92 43.10 3kc1 s ASP 99 CO 0.65 0.28 1.64 0.50 0.21 0.00 0.00 175.17 178.45 3kc1 h LYS 100 N 5.85 0.20 -6.18 8.23 3.64 -1.90 -3.43 116.57 122.98 3kc1 h LYS 100 Ca -0.37 -0.03 -0.53 0.00 -1.27 0.00 0.00 60.65 58.45 3kc1 h LYS 100 Cb 1.16 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 3kc1 h LYS 100 CO 0.49 0.27 -0.53 -1.01 -2.27 0.00 0.00 179.45 176.40 3kc1 s HIS 101 N -5.64 3.18 0.39 1.91 3.76 -1.26 -4.97 115.29 112.67 3kc1 s HIS 101 Ca -0.14 -0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 54.46 3kc1 s HIS 101 Cb 0.07 -1.48 -0.09 0.00 1.11 0.00 0.00 32.58 32.19 3kc1 s HIS 101 CO 0.69 0.51 1.26 0.00 -0.85 0.00 0.00 174.74 176.36 3kc1 s ALA 102 N -1.93 3.26 -0.13 -1.40 0.00 -1.26 -4.82 121.76 115.48 3kc1 s ALA 102 Ca 0.32 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 3kc1 s ALA 102 Cb -0.09 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3kc1 s ALA 102 CO 0.25 -0.70 0.47 0.42 0.00 0.00 0.00 175.76 176.19 3kc1 s ILE 103 N -1.28 5.19 -0.27 0.00 -1.09 0.66 -4.93 121.20 119.48 3kc1 s ILE 103 Ca 0.56 0.92 -0.10 0.00 -2.23 0.00 0.00 60.65 59.79 3kc1 s ILE 103 Cb -0.36 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 3kc1 s ILE 103 CO 0.46 0.31 0.16 -0.63 -1.23 0.00 0.00 174.94 174.02 3kc1 s ILE 104 N 0.74 5.09 0.32 2.92 -1.09 -1.26 -0.53 121.20 127.39 3kc1 s ILE 104 Ca 0.25 0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.47 3kc1 s ILE 104 Cb -0.15 -3.41 -0.10 0.00 -1.58 0.00 0.00 42.46 37.21 3kc1 s ILE 104 CO 0.10 0.27 1.31 -0.69 -1.23 0.00 0.00 174.94 174.69 3kc1 s VAL 105 N 1.71 2.74 0.53 2.92 1.01 -0.67 -4.96 120.40 123.69 3kc1 s VAL 105 Ca 0.07 0.74 -0.23 0.00 0.00 0.00 0.00 61.98 62.57 3kc1 s VAL 105 Cb -0.16 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 3kc1 s VAL 105 CO 0.09 0.17 1.39 -0.62 0.00 0.00 0.00 175.10 176.13 3kc1 n GLU 106 N 0.91 1.83 -0.31 2.72 -0.58 -1.26 -4.79 120.64 119.17 3kc1 n GLU 106 Ca 0.00 0.67 0.11 0.00 -0.42 0.00 0.00 57.16 57.52 3kc1 n GLU 106 Cb 0.42 -2.60 0.24 0.00 -0.57 0.00 0.00 31.44 28.92 3kc1 n GLU 106 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kc1 h PRO 107 N 1.63 0.06 0.00 3.49 0.11 -1.99 -1.49 132.00 133.81 3kc1 h PRO 107 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kc1 h PRO 107 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kc1 h PRO 107 CO 0.58 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 3kc1 n GLU 108 N -5.42 0.37 -0.03 1.05 1.02 -1.26 -2.88 120.64 113.50 3kc1 n GLU 108 Ca 0.19 0.07 0.01 0.00 -0.02 0.00 0.00 57.16 57.41 3kc1 n GLU 108 Cb 0.64 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.57 3kc1 n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kc1 n LYS 109 N -1.15 1.50 -2.47 3.49 5.02 -0.57 -5.05 118.16 118.93 3kc1 n LYS 109 Ca 0.10 -1.13 -0.40 0.00 -2.02 0.00 0.00 58.31 54.85 3kc1 n LYS 109 Cb 0.09 -0.80 -0.04 0.00 -0.02 0.00 0.00 35.03 34.26 3kc1 n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kc1 s ARG 110 N -0.66 4.61 0.44 1.97 0.52 -1.14 -3.91 118.95 120.79 3kc1 s ARG 110 Ca 0.02 1.80 0.02 0.00 -0.52 0.00 0.00 55.73 57.06 3kc1 s ARG 110 Cb 0.02 -3.21 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 3kc1 s ARG 110 CO 0.00 0.15 0.08 0.41 0.02 0.00 0.00 175.30 175.97 3kc1 n GLY 111 N 1.44 3.38 0.21 -3.53 0.00 0.14 -4.71 105.19 102.13 3kc1 n GLY 111 Ca 0.00 -2.22 0.15 0.00 0.00 0.00 0.00 46.02 43.95 3kc1 n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kc1 n LYS 112 N -1.04 1.22 -3.99 1.61 2.85 -1.13 -3.18 118.16 114.50 3kc1 n LYS 112 Ca -0.12 -0.43 -0.28 0.00 -1.05 0.00 0.00 58.31 56.43 3kc1 n LYS 112 Cb 0.61 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.46 3kc1 n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3kc1 s TYR 113 N -2.07 3.35 -0.11 5.58 2.02 -0.63 -0.66 117.35 124.82 3kc1 s TYR 113 Ca 0.41 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 57.23 3kc1 s TYR 113 Cb 0.21 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.13 3kc1 s TYR 113 CO 0.37 0.53 -0.18 0.08 -1.57 0.00 0.00 175.55 174.78 3kc1 s VAL 114 N -1.63 2.56 -0.10 0.71 1.01 0.13 -1.11 120.40 121.97 3kc1 s VAL 114 Ca 0.33 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3kc1 s VAL 114 Cb -0.11 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3kc1 s VAL 114 CO 0.26 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 175.01 3kc1 s VAL 115 N 0.32 1.77 -0.15 2.92 1.01 -0.57 -0.43 120.40 125.28 3kc1 s VAL 115 Ca -0.14 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3kc1 s VAL 115 Cb -0.17 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3kc1 s VAL 115 CO 0.07 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 175.57 3kc1 s PHE 117 N 0.51 -0.12 -0.33 0.00 -0.71 0.28 -0.21 117.98 117.39 3kc1 s PHE 117 Ca -0.07 -0.22 0.02 0.00 -1.04 0.00 0.00 56.93 55.62 3kc1 s PHE 117 Cb -0.15 0.22 0.09 0.00 -1.21 0.00 0.00 43.02 41.97 3kc1 s PHE 117 CO 0.04 -0.71 0.05 0.34 -1.34 0.00 0.00 175.22 173.59 3kc1 s ASP 118 N -2.83 4.81 0.27 1.98 -1.08 0.11 -2.25 116.67 117.69 3kc1 s ASP 118 Ca 0.05 -1.92 0.01 0.00 -0.52 0.00 0.00 52.55 50.17 3kc1 s ASP 118 Cb 0.02 -1.66 0.59 0.00 -1.46 0.00 0.00 42.92 40.41 3kc1 s ASP 118 CO -0.10 -0.37 1.77 1.55 0.52 0.00 0.00 175.17 178.54 3kc1 h PRO 119 N 7.76 0.67 -1.99 4.34 0.13 -1.87 -0.94 132.00 140.11 3kc1 h PRO 119 Ca -0.10 -0.04 -0.43 0.00 -0.87 0.00 0.00 66.00 64.56 3kc1 h PRO 119 Cb 1.03 -0.15 -0.32 0.00 0.13 0.00 0.00 31.00 31.69 3kc1 h PRO 119 CO 0.54 0.44 -0.78 -1.17 -0.23 0.00 0.00 178.00 176.81 3kc1 s LEU 120 N -10.33 0.33 0.13 1.56 2.96 -1.24 -4.21 118.68 107.88 3kc1 s LEU 120 Ca -0.12 -2.24 -0.31 0.00 -0.22 0.00 0.00 54.13 51.24 3kc1 s LEU 120 Cb 0.23 0.34 -0.08 0.00 0.50 0.00 0.00 46.19 47.18 3kc1 s LEU 120 CO 0.79 -0.19 1.38 -0.62 -1.32 0.00 0.00 176.35 176.39 3kc1 s ASP 121 N 0.76 6.83 0.00 3.68 -1.08 0.88 -2.92 116.67 124.82 3kc1 s ASP 121 Ca 0.26 2.35 0.00 0.00 -0.52 0.00 0.00 52.55 54.63 3kc1 s ASP 121 Cb -0.06 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 3kc1 s ASP 121 CO -0.09 -0.64 0.00 0.61 0.52 0.00 0.00 175.17 175.57 3kc1 n GLY 122 N 3.29 0.67 0.30 2.66 0.00 -1.26 -1.16 105.19 109.69 3kc1 n GLY 122 Ca 0.11 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.32 3kc1 n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc1 h SER 123 N 0.00 0.00 -0.92 1.61 4.64 -1.87 -3.04 113.55 113.97 3kc1 h SER 123 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 3kc1 h SER 123 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 3kc1 h SER 123 CO 0.00 0.00 0.59 0.77 -0.87 0.00 0.00 176.83 177.32 3kc1 h SER 124 N 0.00 0.71 -0.52 4.97 4.64 -1.92 -0.10 113.55 121.33 3kc1 h SER 124 Ca -0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3kc1 h SER 124 Cb 0.31 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3kc1 h SER 124 CO 0.00 0.36 0.00 0.59 -0.87 0.00 0.00 176.83 176.91 3kc1 n ASN 125 N -4.58 4.40 0.27 4.97 3.02 -1.15 -4.62 115.26 117.57 3kc1 n ASN 125 Ca 0.18 -2.53 0.10 0.00 -0.03 0.00 0.00 54.58 52.30 3kc1 n ASN 125 Cb 0.46 -0.53 0.53 0.00 -0.61 0.00 0.00 39.78 39.63 3kc1 n ASN 125 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3kc1 h ILE 126 N 3.33 0.00 0.00 2.41 2.10 -1.07 -0.72 117.51 123.56 3kc1 h ILE 126 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.90 3kc1 h ILE 126 Cb 1.39 0.43 -0.01 0.00 -1.09 0.00 0.00 36.82 37.54 3kc1 h ILE 126 CO 0.22 0.00 -0.19 0.44 -1.08 0.00 0.00 178.15 177.53 3kc1 h ASP 127 N 0.00 0.00 -0.58 2.19 3.32 -1.82 -2.15 116.42 117.38 3kc1 h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kc1 h ASP 127 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3kc1 h ASP 127 CO 0.00 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.71 3kc1 n LEU 129 N 1.14 -1.64 -4.75 0.00 4.77 -0.81 -4.96 117.00 110.75 3kc1 n LEU 129 Ca 0.21 0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 56.03 3kc1 n LEU 129 Cb 0.60 -2.67 0.04 0.00 -2.33 0.00 0.00 43.42 39.07 3kc1 n LEU 129 CO 0.16 -0.55 0.84 0.54 -1.33 0.00 0.00 177.39 177.05 3kc1 s VAL 130 N -2.83 2.55 0.39 4.08 0.11 -1.26 -4.92 120.40 118.51 3kc1 s VAL 130 Ca 0.00 0.33 -0.27 0.00 -2.93 0.00 0.00 61.98 59.11 3kc1 s VAL 130 Cb 0.00 -3.09 -0.11 0.00 -1.53 0.00 0.00 36.38 31.65 3kc1 s VAL 130 CO 0.00 -0.08 1.38 -1.20 -3.33 0.00 0.00 175.10 171.86 3kc1 n SER 131 N -1.77 3.16 -4.34 3.54 7.64 -1.26 -4.82 113.62 115.76 3kc1 n SER 131 Ca 0.14 1.18 -0.21 0.00 1.01 0.00 0.00 58.87 60.99 3kc1 n SER 131 Cb 0.50 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.04 3kc1 n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3kc1 s VAL 132 N -1.14 0.89 0.28 0.44 -7.23 -1.22 -4.77 120.40 107.65 3kc1 s VAL 132 Ca 0.57 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.54 3kc1 s VAL 132 Cb -0.51 -2.67 0.06 0.00 0.56 0.00 0.00 36.38 33.83 3kc1 s VAL 132 CO 0.61 0.00 0.90 -0.83 -0.31 0.00 0.00 175.10 175.47 3kc1 s GLY 133 N -3.46 0.17 -0.10 2.32 0.00 -0.31 -0.71 107.32 105.24 3kc1 s GLY 133 Ca 0.35 -0.47 0.04 0.00 0.00 0.00 0.00 44.72 44.64 3kc1 s GLY 133 CO 0.15 0.81 -0.22 -1.59 0.00 0.00 0.00 173.10 172.24 3kc1 s THR 134 N -2.47 2.21 -0.02 0.90 2.01 -0.16 0.30 115.64 118.41 3kc1 s THR 134 Ca 0.17 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.26 3kc1 s THR 134 Cb -0.04 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 3kc1 s THR 134 CO 0.08 0.56 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.74 3kc1 s ILE 135 N 0.30 2.64 0.01 1.82 1.01 -0.36 -0.43 121.20 126.20 3kc1 s ILE 135 Ca -0.17 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.39 3kc1 s ILE 135 Cb -0.17 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.29 3kc1 s ILE 135 CO 0.08 0.52 0.24 0.72 0.00 0.00 0.00 174.94 176.51 3kc1 s PHE 136 N -0.74 -0.07 -0.03 3.97 -0.71 -0.56 0.04 117.98 119.88 3kc1 s PHE 136 Ca 0.12 0.02 -0.01 0.00 -1.04 0.00 0.00 56.93 56.02 3kc1 s PHE 136 Cb -0.10 0.04 0.03 0.00 -1.21 0.00 0.00 43.02 41.77 3kc1 s PHE 136 CO 0.01 -0.39 0.06 0.20 -1.34 0.00 0.00 175.22 173.77 3kc1 s GLY 137 N -1.59 0.06 -0.14 1.99 0.00 0.71 -1.58 107.32 106.77 3kc1 s GLY 137 Ca -0.11 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.03 3kc1 s GLY 137 CO 0.01 0.76 -0.17 -0.42 0.00 0.00 0.00 173.10 173.28 3kc1 s ILE 138 N 1.06 2.61 0.18 0.90 1.01 0.88 -0.93 121.20 126.91 3kc1 s ILE 138 Ca -0.09 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 59.87 3kc1 s ILE 138 Cb -0.12 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3kc1 s ILE 138 CO -0.04 0.53 -0.22 -0.31 0.00 0.00 0.00 174.94 174.89 3kc1 s TYR 139 N 0.64 2.15 -0.09 3.97 2.02 0.43 -0.95 117.35 125.52 3kc1 s TYR 139 Ca -0.09 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.05 3kc1 s TYR 139 Cb -0.16 -1.07 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 3kc1 s TYR 139 CO 0.02 0.43 0.45 0.50 -1.57 0.00 0.00 175.55 175.39 3kc1 s ARG 140 N -2.63 4.26 0.18 -0.62 3.52 -1.26 0.22 118.95 122.61 3kc1 s ARG 140 Ca 0.18 0.42 -0.33 0.00 -0.13 0.00 0.00 55.73 55.88 3kc1 s ARG 140 Cb -0.08 -3.39 -0.13 0.00 -1.56 0.00 0.00 34.95 29.79 3kc1 s ARG 140 CO 0.09 0.27 1.66 1.17 -0.81 0.00 0.00 175.30 177.67 3kc1 n LYS 141 N 3.28 2.47 0.03 5.12 4.81 0.16 -4.86 118.16 129.17 3kc1 n LYS 141 Ca -0.09 0.89 0.01 0.00 -0.87 0.00 0.00 58.31 58.26 3kc1 n LYS 141 Cb 0.52 -2.70 -0.08 0.00 0.02 0.00 0.00 35.03 32.79 3kc1 n LYS 141 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3kc1 n LYS 142 N 3.73 0.62 -4.47 1.64 4.76 -1.26 -4.95 118.16 118.23 3kc1 n LYS 142 Ca 0.17 0.19 -0.24 0.00 -2.87 0.00 0.00 58.31 55.55 3kc1 n LYS 142 Cb 0.32 -1.79 -0.10 0.00 -1.84 0.00 0.00 35.03 31.62 3kc1 n LYS 142 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3kc1 s SER 143 N -5.68 3.72 0.00 4.39 1.04 -1.26 -5.01 113.70 110.89 3kc1 s SER 143 Ca -0.03 -1.04 0.19 0.00 0.48 0.00 0.00 55.95 55.55 3kc1 s SER 143 Cb 0.09 -0.36 0.70 0.00 0.10 0.00 0.00 66.02 66.55 3kc1 s SER 143 CO 0.81 -0.03 1.51 0.35 0.98 0.00 0.00 173.24 176.86 3kc1 n THR 144 N -0.70 0.24 -1.72 2.02 -2.24 -1.26 -4.93 114.28 105.70 3kc1 n THR 144 Ca -0.05 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 61.00 3kc1 n THR 144 Cb 0.61 0.34 0.06 0.00 -2.10 0.00 0.00 70.33 69.24 3kc1 n THR 144 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kc1 n ASP 145 N 0.32 2.06 -4.58 3.42 9.92 -1.26 -4.85 116.55 121.59 3kc1 n ASP 145 Ca 0.15 0.87 -0.47 0.00 -0.53 0.00 0.00 54.79 54.81 3kc1 n ASP 145 Cb 0.32 -1.54 -0.03 0.00 -0.64 0.00 0.00 41.12 39.23 3kc1 n ASP 145 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3kc1 n GLU 146 N -1.53 1.20 -1.66 -1.24 -0.58 -1.26 -4.75 120.64 110.82 3kc1 n GLU 146 Ca 0.14 0.42 -0.46 0.00 -0.42 0.00 0.00 57.16 56.84 3kc1 n GLU 146 Cb 0.47 -1.86 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 3kc1 n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3kc1 n PRO 147 N 1.41 1.95 -4.03 3.49 -0.04 -1.26 -4.98 135.00 131.53 3kc1 n PRO 147 Ca 0.13 0.70 -0.14 0.00 -0.04 0.00 0.00 63.50 64.16 3kc1 n PRO 147 Cb 0.27 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 3kc1 n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kc1 s SER 148 N 0.62 0.75 0.54 3.54 1.04 -1.26 -5.00 113.70 113.92 3kc1 s SER 148 Ca 0.76 -1.42 0.21 0.00 0.48 0.00 0.00 55.95 55.98 3kc1 s SER 148 Cb -0.71 0.70 1.41 0.00 0.10 0.00 0.00 66.02 67.52 3kc1 s SER 148 CO 0.43 -1.38 2.13 1.05 0.98 0.00 0.00 173.24 176.46 3kc1 h GLU 149 N 2.08 0.00 -0.12 4.02 4.11 -1.93 -1.78 114.58 120.96 3kc1 h GLU 149 Ca -0.29 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.18 3kc1 h GLU 149 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3kc1 h GLU 149 CO 0.39 0.00 0.09 0.87 0.07 0.00 0.00 179.01 180.43 3kc1 h LYS 150 N 0.00 0.00 0.00 1.06 1.57 -1.97 -1.42 116.57 115.81 3kc1 h LYS 150 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kc1 h LYS 150 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3kc1 h LYS 150 CO -0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 178.44 3kc1 h ASP 151 N 0.00 0.00 -0.05 0.86 3.32 -1.72 -1.52 116.42 117.31 3kc1 h ASP 151 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3kc1 h ASP 151 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kc1 h ASP 151 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3kc1 n ALA 152 N -2.04 2.50 -1.90 3.45 0.00 -0.54 -4.51 120.51 117.48 3kc1 n ALA 152 Ca -0.01 -0.61 -0.36 0.00 0.00 0.00 0.00 53.44 52.46 3kc1 n ALA 152 Cb 0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3kc1 n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kc1 n LEU 153 N 0.88 7.49 -4.59 0.00 4.77 -0.57 -4.94 117.00 120.05 3kc1 n LEU 153 Ca 0.16 -4.69 -0.30 0.00 -0.03 0.00 0.00 56.01 51.15 3kc1 n LEU 153 Cb 0.50 -1.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.20 3kc1 n LEU 153 CO 0.16 1.95 -0.41 -1.10 -1.33 0.00 0.00 177.39 176.66 3kc1 s GLN 154 N -1.75 2.27 0.51 3.23 -0.21 -1.26 -4.62 119.66 117.82 3kc1 s GLN 154 Ca 0.54 -0.93 -0.21 0.00 0.02 0.00 0.00 55.36 54.78 3kc1 s GLN 154 Cb 0.26 -2.37 -0.06 0.00 1.00 0.00 0.00 33.01 31.83 3kc1 s GLN 154 CO -0.15 0.54 1.17 -1.25 -2.12 0.00 0.00 175.29 173.48 3kc1 s PRO 155 N -1.98 3.49 0.65 2.91 0.04 -1.26 -4.69 135.00 134.16 3kc1 s PRO 155 Ca 0.20 1.75 0.31 0.00 0.04 0.00 0.00 61.00 63.31 3kc1 s PRO 155 Cb -0.11 -2.20 1.70 0.00 0.04 0.00 0.00 34.50 33.92 3kc1 s PRO 155 CO 0.12 -0.77 1.98 0.78 0.04 0.00 0.00 177.00 179.15 3kc1 h GLY 156 N 1.59 0.00 1.97 0.56 0.00 -1.68 -0.03 103.07 105.47 3kc1 h GLY 156 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3kc1 h GLY 156 CO 0.58 0.00 0.01 -0.09 0.00 0.00 0.00 176.54 177.05 3kc1 h ARG 157 N 0.00 0.00 -0.01 4.80 9.65 -1.24 -1.70 114.38 125.89 3kc1 h ARG 157 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3kc1 h ARG 157 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 3kc1 h ARG 157 CO -0.00 0.00 -0.08 0.09 2.80 0.00 0.00 179.97 182.78 3kc1 n ASN 158 N -3.55 0.88 -4.68 -3.80 4.13 -0.03 -4.95 115.26 103.25 3kc1 n ASN 158 Ca -0.03 -1.04 -0.43 0.00 1.68 0.00 0.00 54.58 54.76 3kc1 n ASN 158 Cb 0.09 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.33 3kc1 n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kc1 n LEU 159 N -0.49 3.30 -0.09 3.41 4.77 -0.64 -4.66 117.00 122.61 3kc1 n LEU 159 Ca 0.17 1.20 -0.08 0.00 -0.03 0.00 0.00 56.01 57.27 3kc1 n LEU 159 Cb 0.29 -1.46 -0.16 0.00 -2.33 0.00 0.00 43.42 39.77 3kc1 n LEU 159 CO 0.20 -0.58 -1.09 1.33 -1.33 0.00 0.00 177.39 175.92 3kc1 n VAL 160 N 0.54 1.24 -3.53 4.08 0.24 -0.12 -4.98 118.33 115.78 3kc1 n VAL 160 Ca 0.06 -0.82 -0.17 0.00 -2.04 0.00 0.00 64.34 61.38 3kc1 n VAL 160 Cb 0.35 -0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 32.24 3kc1 n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kc1 s ALA 161 N -2.61 -1.80 0.11 2.33 0.00 -1.18 -4.40 121.76 114.20 3kc1 s ALA 161 Ca -0.10 1.39 -0.25 0.00 0.00 0.00 0.00 51.96 53.00 3kc1 s ALA 161 Cb 0.07 -0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.11 3kc1 s ALA 161 CO 0.84 -0.36 0.77 0.00 0.00 0.00 0.00 175.76 177.01 3kc1 s ALA 162 N -1.13 -1.65 0.00 0.00 0.00 -0.55 -0.08 121.76 118.35 3kc1 s ALA 162 Ca -0.09 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3kc1 s ALA 162 Cb -0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3kc1 s ALA 162 CO 0.08 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3kc1 n GLY 163 N -0.35 -0.54 3.58 0.00 0.00 -0.61 -0.16 105.19 107.12 3kc1 n GLY 163 Ca -0.11 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 3kc1 n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kc1 s TYR 164 N -3.28 -0.34 -0.11 1.61 1.13 -0.62 -1.50 117.35 114.23 3kc1 s TYR 164 Ca 0.00 0.10 0.03 0.00 -1.41 0.00 0.00 57.07 55.79 3kc1 s TYR 164 Cb 0.00 0.59 -0.00 0.00 -1.10 0.00 0.00 41.96 41.45 3kc1 s TYR 164 CO 0.00 -0.81 -0.22 0.00 -2.51 0.00 0.00 175.55 172.01 3kc1 s ALA 165 N -3.49 2.26 -0.22 9.51 0.00 0.43 -0.12 121.76 130.14 3kc1 s ALA 165 Ca 0.06 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 3kc1 s ALA 165 Cb -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 3kc1 s ALA 165 CO -0.06 0.23 0.02 -1.17 0.00 0.00 0.00 175.76 174.78 3kc1 s LEU 166 N 0.42 3.31 -1.08 0.00 2.96 0.83 -0.99 118.68 124.13 3kc1 s LEU 166 Ca -0.16 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3kc1 s LEU 166 Cb -0.17 -1.85 0.28 0.00 0.50 0.00 0.00 46.19 44.94 3kc1 s LEU 166 CO 0.07 0.03 1.17 -1.22 -1.32 0.00 0.00 176.35 175.08 3kc1 n TYR 167 N 4.47 4.34 0.00 5.38 4.01 0.12 -1.60 117.16 133.88 3kc1 n TYR 167 Ca -0.17 -3.59 0.00 0.00 -0.16 0.00 0.00 57.90 53.98 3kc1 n TYR 167 Cb 0.52 -1.50 0.00 0.00 -0.31 0.00 0.00 39.34 38.04 3kc1 n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc1 n GLY 168 N 2.23 2.57 0.38 2.72 0.00 -1.26 -3.37 105.19 108.46 3kc1 n GLY 168 Ca 0.24 -1.04 0.14 0.00 0.00 0.00 0.00 46.02 45.36 3kc1 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc1 h SER 169 N 0.00 0.58 -5.19 1.61 4.64 -2.00 -3.41 113.55 109.78 3kc1 h SER 169 Ca 0.00 0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.12 3kc1 h SER 169 Cb 0.00 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 61.87 3kc1 h SER 169 CO 0.00 0.27 -0.64 0.00 -0.87 0.00 0.00 176.83 175.60 3kc1 s ALA 170 N -5.61 1.17 -0.23 5.18 0.00 -1.26 -5.14 121.76 115.87 3kc1 s ALA 170 Ca -0.09 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.14 3kc1 s ALA 170 Cb 0.22 1.01 -0.05 0.00 0.00 0.00 0.00 23.12 24.31 3kc1 s ALA 170 CO 0.79 -0.49 0.15 0.99 0.00 0.00 0.00 175.76 177.20 3kc1 s THR 171 N -3.98 5.37 0.01 0.00 2.01 -1.26 -4.48 115.64 113.31 3kc1 s THR 171 Ca 0.31 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.53 3kc1 s THR 171 Cb 0.07 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 3kc1 s THR 171 CO 0.07 0.37 -0.14 -0.32 -0.69 0.00 0.00 174.62 173.91 3kc1 s MET 172 N 0.90 1.03 -0.20 4.92 -2.45 -0.63 -0.60 119.30 122.26 3kc1 s MET 172 Ca 0.08 -0.57 -0.03 0.00 -1.25 0.00 0.00 55.69 53.92 3kc1 s MET 172 Cb -0.13 -1.01 -0.01 0.00 1.25 0.00 0.00 34.83 34.94 3kc1 s MET 172 CO 0.03 0.27 -0.07 -1.17 1.05 0.00 0.00 175.02 175.13 3kc1 s LEU 173 N -0.58 2.81 -0.26 4.11 1.98 0.40 -0.12 118.68 127.01 3kc1 s LEU 173 Ca 0.04 -0.40 -0.08 0.00 -2.89 0.00 0.00 54.13 50.80 3kc1 s LEU 173 Cb -0.06 -1.70 -0.03 0.00 0.66 0.00 0.00 46.19 45.06 3kc1 s LEU 173 CO 0.00 0.01 0.09 -0.69 -1.89 0.00 0.00 176.35 173.87 3kc1 s VAL 174 N 1.31 4.46 -0.16 1.68 1.01 0.83 -1.05 120.40 128.48 3kc1 s VAL 174 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3kc1 s VAL 174 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3kc1 s VAL 174 CO -0.03 0.30 -0.16 -0.22 0.00 0.00 0.00 175.10 174.99 3kc1 s LEU 175 N 1.63 2.42 -0.07 3.92 2.96 -0.40 -1.60 118.68 127.55 3kc1 s LEU 175 Ca 0.06 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3kc1 s LEU 175 Cb -0.15 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3kc1 s LEU 175 CO 0.05 0.06 -0.19 0.00 -1.32 0.00 0.00 176.35 174.96 3kc1 s ALA 176 N 0.94 2.44 0.18 5.97 0.00 0.78 -1.17 121.76 130.90 3kc1 s ALA 176 Ca -0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 3kc1 s ALA 176 Cb -0.15 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.07 3kc1 s ALA 176 CO -0.02 0.41 0.27 -1.33 0.00 0.00 0.00 175.76 175.09 3kc1 n MET 177 N 2.91 0.38 -0.23 0.00 2.81 -0.64 -1.48 117.12 120.88 3kc1 n MET 177 Ca -0.18 -1.43 0.11 0.00 -1.81 0.00 0.00 57.70 54.39 3kc1 n MET 177 Cb 0.52 1.41 0.39 0.00 -0.71 0.00 0.00 33.22 34.83 3kc1 n MET 177 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 3kc1 h ASP 178 N 1.03 0.61 0.28 7.83 3.58 -1.94 -0.33 116.42 127.46 3kc1 h ASP 178 Ca -0.14 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3kc1 h ASP 178 Cb 0.62 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.57 3kc1 h ASP 178 CO 0.19 0.33 0.00 0.00 -2.88 0.00 0.00 179.24 176.89 3kc1 n GLY 180 N 0.28 0.40 3.48 0.00 0.00 -0.14 -4.90 105.19 104.31 3kc1 n GLY 180 Ca 0.10 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 3kc1 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kc1 s VAL 181 N -0.26 4.01 -0.04 1.61 1.01 -1.26 -1.62 120.40 123.84 3kc1 s VAL 181 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.71 3kc1 s VAL 181 Cb 0.00 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 3kc1 s VAL 181 CO 0.00 0.45 -0.14 0.20 0.00 0.00 0.00 175.10 175.61 3kc1 s ASN 182 N 0.73 1.83 -0.17 3.32 -0.87 -0.31 -0.36 114.94 119.10 3kc1 s ASN 182 Ca -0.00 -0.30 -0.04 0.00 -1.57 0.00 0.00 52.86 50.95 3kc1 s ASN 182 Cb -0.14 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.25 40.55 3kc1 s ASN 182 CO 0.02 0.12 -0.02 0.00 -2.57 0.00 0.00 177.10 174.65 3kc1 s PHE 184 N 0.58 2.46 -0.16 0.00 0.40 -0.21 -1.01 117.98 120.05 3kc1 s PHE 184 Ca -0.02 -0.91 -0.11 0.00 -0.60 0.00 0.00 56.93 55.29 3kc1 s PHE 184 Cb -0.14 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.70 3kc1 s PHE 184 CO 0.02 -0.34 0.21 1.41 0.70 0.00 0.00 175.22 177.22 3kc1 s MET 185 N 0.17 4.08 -0.21 0.44 1.75 0.17 -0.45 119.30 125.25 3kc1 s MET 185 Ca -0.13 -0.05 -0.29 0.00 -1.25 0.00 0.00 55.69 53.97 3kc1 s MET 185 Cb -0.16 -3.37 0.01 0.00 2.84 0.00 0.00 34.83 34.14 3kc1 s MET 185 CO 0.07 0.38 1.06 -1.17 -0.65 0.00 0.00 175.02 174.70 3kc1 s LEU 186 N 0.09 4.13 -0.54 4.11 2.96 0.23 0.22 118.68 129.87 3kc1 s LEU 186 Ca 0.13 1.43 -0.19 0.00 -0.22 0.00 0.00 54.13 55.28 3kc1 s LEU 186 Cb -0.12 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.10 3kc1 s LEU 186 CO 0.02 -0.65 0.65 -0.62 -1.32 0.00 0.00 176.35 174.43 3kc1 s ASP 187 N 1.26 6.21 0.61 3.68 -1.08 -0.05 -4.65 116.67 122.64 3kc1 s ASP 187 Ca 0.46 -1.12 0.32 0.00 -0.52 0.00 0.00 52.55 51.69 3kc1 s ASP 187 Cb -0.16 -2.29 1.88 0.00 -1.46 0.00 0.00 42.92 40.89 3kc1 s ASP 187 CO 0.08 -0.98 2.22 -0.65 0.52 0.00 0.00 175.17 176.36 3kc1 h PRO 188 N 9.07 0.00 -0.17 4.34 0.11 -1.94 0.24 132.00 143.64 3kc1 h PRO 188 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3kc1 h PRO 188 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3kc1 h PRO 188 CO 1.02 0.00 -0.21 0.00 -0.21 0.00 0.00 178.00 178.60 3kc1 h ALA 189 N 1.89 1.33 0.00 -0.75 0.00 -1.97 -3.30 119.26 116.47 3kc1 h ALA 189 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kc1 h ALA 189 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kc1 h ALA 189 CO -0.00 0.45 0.00 0.44 0.00 0.00 0.00 179.25 180.14 3kc1 n ILE 190 N -4.19 0.33 -3.71 0.00 -5.35 -0.86 -5.02 119.36 100.56 3kc1 n ILE 190 Ca -0.01 -0.50 -0.22 0.00 -0.27 0.00 0.00 62.75 61.75 3kc1 n ILE 190 Cb 0.34 1.00 0.03 0.00 -1.74 0.00 0.00 39.64 39.27 3kc1 n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kc1 n GLY 191 N -0.17 -0.31 3.01 3.28 0.00 0.79 -4.99 105.19 106.80 3kc1 n GLY 191 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 3kc1 n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kc1 s GLU 192 N -6.02 1.26 -0.41 1.61 2.56 -1.15 -4.96 118.70 111.58 3kc1 s GLU 192 Ca 0.06 -0.34 -0.25 0.00 0.00 0.00 0.00 54.97 54.44 3kc1 s GLU 192 Cb -0.03 -1.12 0.02 0.00 2.00 0.00 0.00 34.13 35.00 3kc1 s GLU 192 CO 0.81 0.08 0.87 -0.06 -0.56 0.00 0.00 175.26 176.40 3kc1 s PHE 193 N 0.41 3.02 -0.19 5.30 0.08 -1.26 -0.87 117.98 124.47 3kc1 s PHE 193 Ca -0.08 0.50 -0.14 0.00 0.12 0.00 0.00 56.93 57.32 3kc1 s PHE 193 Cb -0.12 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.58 3kc1 s PHE 193 CO 0.02 -0.93 0.33 0.42 -0.10 0.00 0.00 175.22 174.96 3kc1 s ILE 194 N 3.46 5.26 -0.16 0.64 -1.09 0.13 -1.02 121.20 128.44 3kc1 s ILE 194 Ca 0.35 0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 59.06 3kc1 s ILE 194 Cb -0.12 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 3kc1 s ILE 194 CO 0.22 0.32 1.61 -0.22 -1.23 0.00 0.00 174.94 175.63 3kc1 s LEU 195 N 0.91 4.06 -0.00 2.97 2.96 -0.60 0.43 118.68 129.40 3kc1 s LEU 195 Ca 0.17 1.84 0.03 0.00 -0.22 0.00 0.00 54.13 55.95 3kc1 s LEU 195 Cb -0.14 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3kc1 s LEU 195 CO 0.06 -1.11 0.08 1.33 -1.32 0.00 0.00 176.35 175.39 3kc1 n VAL 196 N 6.02 0.00 -3.60 1.68 0.24 -0.18 -4.74 118.33 117.75 3kc1 n VAL 196 Ca 0.18 -0.21 -0.21 0.00 -2.04 0.00 0.00 64.34 62.06 3kc1 n VAL 196 Cb 0.44 0.66 -0.16 0.00 -1.47 0.00 0.00 33.84 33.32 3kc1 n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kc1 s ASP 197 N -1.89 1.57 -0.02 -1.34 1.01 -1.09 -5.02 116.67 109.89 3kc1 s ASP 197 Ca -0.00 -0.21 -0.06 0.00 0.71 0.00 0.00 52.55 52.99 3kc1 s ASP 197 Cb 0.02 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.97 3kc1 s ASP 197 CO 0.11 -0.31 0.23 -0.54 0.21 0.00 0.00 175.17 174.88 3kc1 s LYS 198 N 2.23 3.53 -0.99 8.23 1.02 -1.26 -1.05 119.74 131.45 3kc1 s LYS 198 Ca 0.04 -0.13 -0.25 0.00 0.02 0.00 0.00 55.97 55.65 3kc1 s LYS 198 Cb -0.15 -3.10 0.03 0.00 -0.52 0.00 0.00 37.83 34.10 3kc1 s LYS 198 CO -0.08 0.68 0.57 -3.47 -0.92 0.00 0.00 175.35 172.13 3kc1 n ASP 199 N 1.23 -3.65 -4.77 2.83 2.03 -0.83 -4.84 116.55 108.55 3kc1 n ASP 199 Ca -0.13 -1.09 -0.40 0.00 0.52 0.00 0.00 54.79 53.70 3kc1 n ASP 199 Cb 0.53 -1.37 -0.03 0.00 -0.72 0.00 0.00 41.12 39.54 3kc1 n ASP 199 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kc1 s VAL 200 N -3.56 2.98 -0.03 5.18 1.01 0.51 -4.85 120.40 121.64 3kc1 s VAL 200 Ca 0.35 0.97 0.04 0.00 0.00 0.00 0.00 61.98 63.34 3kc1 s VAL 200 Cb -0.19 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 3kc1 s VAL 200 CO 0.83 0.22 -0.14 -0.54 0.00 0.00 0.00 175.10 175.48 3kc1 s LYS 201 N -1.73 1.36 0.47 2.72 -0.14 -1.26 -4.43 119.74 116.73 3kc1 s LYS 201 Ca 0.48 -0.49 -0.19 0.00 -1.36 0.00 0.00 55.97 54.41 3kc1 s LYS 201 Cb -0.37 -1.24 -0.10 0.00 -1.68 0.00 0.00 37.83 34.45 3kc1 s LYS 201 CO 0.48 0.23 0.96 -1.50 -0.76 0.00 0.00 175.35 174.76 3kc1 s ILE 202 N -0.03 4.46 0.45 2.17 2.07 -0.28 -5.01 121.20 125.03 3kc1 s ILE 202 Ca -0.01 1.36 -0.25 0.00 -1.41 0.00 0.00 60.65 60.34 3kc1 s ILE 202 Cb -0.09 -3.66 -0.08 0.00 0.13 0.00 0.00 42.46 38.77 3kc1 s ILE 202 CO 0.01 -0.49 1.42 -0.75 -1.91 0.00 0.00 174.94 173.22 3kc1 s LYS 203 N -3.58 3.67 0.33 3.50 2.20 -1.26 -4.90 119.74 119.70 3kc1 s LYS 203 Ca 0.60 2.39 0.02 0.00 -0.36 0.00 0.00 55.97 58.63 3kc1 s LYS 203 Cb -0.09 -2.64 0.61 0.00 -1.51 0.00 0.00 37.83 34.20 3kc1 s LYS 203 CO 0.21 -0.82 1.96 -0.22 -0.36 0.00 0.00 175.35 176.12 3kc1 h LYS 204 N 2.29 0.89 -3.04 4.03 3.64 -1.95 -3.40 116.57 119.04 3kc1 h LYS 204 Ca -0.51 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 58.65 3kc1 h LYS 204 Cb 1.27 -0.20 -0.26 0.00 -0.41 0.00 0.00 32.23 32.62 3kc1 h LYS 204 CO 0.61 0.59 -0.41 0.21 -2.27 0.00 0.00 179.45 178.17 3kc1 s LYS 205 N -5.79 0.29 0.02 1.90 2.20 -1.26 -1.76 119.74 115.34 3kc1 s LYS 205 Ca -0.11 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 3kc1 s LYS 205 Cb 0.19 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 3kc1 s LYS 205 CO 0.78 -0.08 0.02 0.41 -0.36 0.00 0.00 175.35 176.12 3kc1 n GLY 206 N 3.33 3.12 0.83 5.54 0.00 -1.26 -4.73 105.19 112.01 3kc1 n GLY 206 Ca -0.16 -2.18 0.04 0.00 0.00 0.00 0.00 46.02 43.71 3kc1 n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc1 n LYS 207 N -0.53 0.38 -4.03 1.61 5.02 -1.26 -4.74 118.16 114.61 3kc1 n LYS 207 Ca -0.00 -1.89 -0.16 0.00 -2.02 0.00 0.00 58.31 54.25 3kc1 n LYS 207 Cb 0.03 -0.59 -0.15 0.00 -0.02 0.00 0.00 35.03 34.29 3kc1 n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kc1 s ILE 208 N -0.81 0.27 0.03 -0.18 1.01 -1.26 -0.50 121.20 119.76 3kc1 s ILE 208 Ca 0.22 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.87 3kc1 s ILE 208 Cb 0.23 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.39 3kc1 s ILE 208 CO -0.07 0.11 -0.22 -0.72 0.00 0.00 0.00 174.94 174.04 3kc1 s TYR 209 N 0.34 2.45 -0.10 3.97 -0.85 -0.53 -1.54 117.35 121.09 3kc1 s TYR 209 Ca -0.03 -0.33 -0.02 0.00 -0.52 0.00 0.00 57.07 56.17 3kc1 s TYR 209 Cb -0.06 -1.45 0.04 0.00 0.38 0.00 0.00 41.96 40.87 3kc1 s TYR 209 CO -0.01 0.17 0.02 0.45 -1.52 0.00 0.00 175.55 174.67 3kc1 s SER 210 N -1.25 1.89 -0.10 -0.18 0.15 -0.20 -2.40 113.70 111.61 3kc1 s SER 210 Ca 0.13 -0.27 -0.31 0.00 0.70 0.00 0.00 55.95 56.20 3kc1 s SER 210 Cb -0.10 -0.43 0.12 0.00 -1.71 0.00 0.00 66.02 63.90 3kc1 s SER 210 CO 0.03 -0.24 1.04 -1.48 1.20 0.00 0.00 173.24 173.79 3kc1 s LEU 211 N 1.98 -0.26 -0.76 3.45 2.34 -1.26 -0.73 118.68 123.43 3kc1 s LEU 211 Ca 0.03 0.04 -0.27 0.00 0.06 0.00 0.00 54.13 54.00 3kc1 s LEU 211 Cb -0.14 1.73 0.03 0.00 -0.56 0.00 0.00 46.19 47.25 3kc1 s LEU 211 CO -0.06 -0.42 1.34 0.21 -1.06 0.00 0.00 176.35 176.36 3kc1 s ASN 212 N -2.20 6.13 0.00 1.48 3.04 -1.26 -4.83 114.94 117.30 3kc1 s ASN 212 Ca 0.06 -0.51 0.22 0.00 0.04 0.00 0.00 52.86 52.67 3kc1 s ASN 212 Cb -0.01 -2.56 1.30 0.00 -1.54 0.00 0.00 41.25 38.44 3kc1 s ASN 212 CO -0.06 -1.85 1.68 -0.62 -3.04 0.00 0.00 177.10 173.21 3kc1 n GLU 213 N 9.31 0.67 0.16 0.43 1.02 -1.26 -2.61 120.64 128.36 3kc1 n GLU 213 Ca 0.08 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.35 3kc1 n GLU 213 Cb 0.49 -1.50 0.53 0.00 -0.02 0.00 0.00 31.44 30.95 3kc1 n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kc1 h GLY 214 N 3.41 0.00 -0.43 0.62 0.00 -2.06 -1.55 103.07 103.06 3kc1 h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kc1 h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3kc1 n TYR 215 N -2.43 0.07 -0.32 5.60 0.53 -1.07 -4.55 117.16 114.99 3kc1 n TYR 215 Ca 0.02 -0.04 0.03 0.00 -1.02 0.00 0.00 57.90 56.89 3kc1 n TYR 215 Cb 0.25 0.00 0.09 0.00 -1.03 0.00 0.00 39.34 38.65 3kc1 n TYR 215 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kc1 n ALA 216 N 0.09 0.08 -0.14 -0.72 0.00 -0.58 0.14 120.51 119.39 3kc1 n ALA 216 Ca 0.18 0.91 0.16 0.00 0.00 0.00 0.00 53.44 54.69 3kc1 n ALA 216 Cb 0.32 -0.49 0.53 0.00 0.00 0.00 0.00 19.45 19.80 3kc1 n ALA 216 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kc1 h LYS 217 N 0.00 0.35 -0.62 0.00 3.64 -1.85 -1.29 116.57 116.80 3kc1 h LYS 217 Ca 0.37 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3kc1 h LYS 217 Cb 0.58 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3kc1 h LYS 217 CO -0.87 0.23 0.00 -0.25 -2.27 0.00 0.00 179.45 176.29 3kc1 n ASP 218 N -4.46 3.72 -4.70 4.20 8.00 0.12 -5.00 116.55 118.42 3kc1 n ASP 218 Ca 0.13 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.27 3kc1 n ASP 218 Cb 0.53 -0.41 0.06 0.00 -0.02 0.00 0.00 41.12 41.28 3kc1 n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kc1 n PHE 219 N 1.46 1.70 -2.50 1.24 3.72 -0.49 -4.65 117.46 117.94 3kc1 n PHE 219 Ca 0.22 0.43 -0.35 0.00 -0.05 0.00 0.00 57.45 57.70 3kc1 n PHE 219 Cb 0.59 -2.25 -0.03 0.00 -0.94 0.00 0.00 39.48 36.85 3kc1 n PHE 219 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kc1 s ASP 220 N -1.24 6.38 0.35 4.37 -1.08 -1.26 -4.85 116.67 119.34 3kc1 s ASP 220 Ca 0.78 2.00 0.09 0.00 -0.52 0.00 0.00 52.55 54.91 3kc1 s ASP 220 Cb -0.40 -2.57 0.82 0.00 -1.46 0.00 0.00 42.92 39.31 3kc1 s ASP 220 CO 0.44 -0.76 1.85 -0.65 0.52 0.00 0.00 175.17 176.57 3kc1 h PRO 221 N 1.79 0.67 -0.61 4.34 0.11 -1.96 -1.56 132.00 134.78 3kc1 h PRO 221 Ca -0.49 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 3kc1 h PRO 221 Cb 1.22 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3kc1 h PRO 221 CO 0.60 0.44 0.06 0.00 -0.21 0.00 0.00 178.00 178.89 3kc1 h ALA 222 N 1.60 0.82 -0.43 -0.75 0.00 -1.91 -1.58 119.26 117.00 3kc1 h ALA 222 Ca 0.48 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3kc1 h ALA 222 Cb 0.80 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3kc1 h ALA 222 CO -0.24 0.61 -0.12 0.28 0.00 0.00 0.00 179.25 179.79 3kc1 h VAL 223 N 0.95 1.27 -0.41 0.00 2.07 -1.72 -1.03 116.25 117.38 3kc1 h VAL 223 Ca 0.18 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.50 3kc1 h VAL 223 Cb 0.48 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3kc1 h VAL 223 CO 0.02 0.42 0.23 0.74 0.02 0.00 0.00 177.57 179.00 3kc1 h THR 224 N 0.66 1.03 -0.36 2.57 2.02 -1.13 -1.39 112.91 116.32 3kc1 h THR 224 Ca 0.11 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 3kc1 h THR 224 Cb 0.65 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3kc1 h THR 224 CO 0.04 0.09 -0.10 -0.08 0.37 0.00 0.00 175.52 175.84 3kc1 h GLU 225 N 0.47 0.70 -0.28 6.66 4.81 -1.18 -1.78 114.58 123.98 3kc1 h GLU 225 Ca 0.16 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3kc1 h GLU 225 Cb 0.03 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3kc1 h GLU 225 CO -0.09 0.87 0.09 -0.92 -0.73 0.00 0.00 179.01 178.23 3kc1 h TYR 226 N 0.49 0.16 -0.68 0.92 3.20 -0.96 -0.90 116.97 119.21 3kc1 h TYR 226 Ca 0.09 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3kc1 h TYR 226 Cb 0.62 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 3kc1 h TYR 226 CO 0.05 0.07 0.23 0.82 -1.64 0.00 0.00 178.16 177.69 3kc1 h ILE 227 N 0.21 1.24 -0.45 1.81 1.08 -1.24 -1.44 117.51 118.72 3kc1 h ILE 227 Ca 0.12 -0.83 0.01 0.00 -0.39 0.00 0.00 64.86 63.77 3kc1 h ILE 227 Cb 0.09 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 3kc1 h ILE 227 CO -0.13 0.32 0.30 -0.61 -0.69 0.00 0.00 178.15 177.35 3kc1 h GLN 228 N 1.00 0.58 0.00 2.37 5.75 -0.59 -0.36 115.11 123.86 3kc1 h GLN 228 Ca 0.22 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.64 3kc1 h GLN 228 Cb 0.26 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 3kc1 h GLN 228 CO -0.01 0.39 -0.25 0.00 -2.65 0.00 0.00 178.83 176.31 3kc1 h ARG 229 N 0.60 0.00 0.01 1.69 3.08 -0.13 0.18 114.38 119.81 3kc1 h ARG 229 Ca 0.17 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.03 3kc1 h ARG 229 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3kc1 h ARG 229 CO -0.04 0.25 -0.88 0.87 -1.07 0.00 0.00 179.97 179.11 3kc1 h LYS 230 N 0.00 0.08 0.07 0.04 1.79 -0.56 -2.74 116.57 115.25 3kc1 h LYS 230 Ca -0.00 -0.10 -0.32 0.00 -2.18 0.00 0.00 60.65 58.05 3kc1 h LYS 230 Cb 0.88 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.53 3kc1 h LYS 230 CO 0.03 0.90 -1.78 0.87 -1.08 0.00 0.00 179.45 178.40 3kc1 h LYS 231 N 0.04 0.14 -2.34 3.15 1.57 -1.18 -0.83 116.57 117.12 3kc1 h LYS 231 Ca -0.03 -0.24 -0.59 0.00 -1.87 0.00 0.00 60.65 57.92 3kc1 h LYS 231 Cb 1.52 0.09 -0.41 0.00 0.08 0.00 0.00 32.23 33.52 3kc1 h LYS 231 CO 0.12 0.88 -0.80 1.19 -0.57 0.00 0.00 179.45 180.28 3kc1 n PHE 232 N -3.28 1.70 -1.67 -1.35 3.01 0.60 -4.75 117.46 111.72 3kc1 n PHE 232 Ca -0.22 -3.88 -0.48 0.00 1.01 0.00 0.00 57.45 53.87 3kc1 n PHE 232 Cb 1.05 -0.38 -0.05 0.00 -0.01 0.00 0.00 39.48 40.09 3kc1 n PHE 232 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3kc1 n PRO 233 N 1.55 2.11 0.34 -1.08 -0.02 -1.03 -4.52 135.00 132.34 3kc1 n PRO 233 Ca 0.25 0.76 0.22 0.00 -2.02 0.00 0.00 63.50 62.72 3kc1 n PRO 233 Cb 0.44 -2.65 1.16 0.00 -0.02 0.00 0.00 33.50 32.43 3kc1 n PRO 233 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3kc1 h PRO 234 N 9.56 0.00 -0.42 0.52 0.13 -1.92 0.19 132.00 140.05 3kc1 h PRO 234 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3kc1 h PRO 234 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3kc1 h PRO 234 CO 0.95 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.32 3kc1 n ASP 235 N -3.09 2.66 -1.53 1.44 5.75 -1.26 -4.93 116.55 115.59 3kc1 n ASP 235 Ca -0.03 -1.94 -0.18 0.00 -0.01 0.00 0.00 54.79 52.64 3kc1 n ASP 235 Cb 0.11 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 39.87 3kc1 n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3kc1 n ASN 236 N 0.96 -5.15 -4.47 -1.12 5.03 0.67 -5.00 115.26 106.17 3kc1 n ASN 236 Ca 0.17 0.32 -0.29 0.00 0.87 0.00 0.00 54.58 55.65 3kc1 n ASN 236 Cb 0.44 -4.22 0.16 0.00 -1.02 0.00 0.00 39.78 35.15 3kc1 n ASN 236 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3kc1 s SER 237 N -2.65 2.97 0.20 6.41 1.04 -1.26 -4.96 113.70 115.44 3kc1 s SER 237 Ca 0.00 0.75 -0.31 0.00 0.48 0.00 0.00 55.95 56.87 3kc1 s SER 237 Cb 0.00 -1.14 -0.10 0.00 0.10 0.00 0.00 66.02 64.88 3kc1 s SER 237 CO 0.00 -2.87 1.49 0.00 0.98 0.00 0.00 173.24 172.85 3kc1 s ALA 238 N -3.37 3.69 0.61 5.32 0.00 -1.26 -4.60 121.76 122.15 3kc1 s ALA 238 Ca 0.67 1.32 -0.18 0.00 0.00 0.00 0.00 51.96 53.78 3kc1 s ALA 238 Cb -0.11 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 3kc1 s ALA 238 CO 0.54 -0.75 1.18 -1.25 0.00 0.00 0.00 175.76 175.48 3kc1 s PRO 239 N 0.48 2.93 0.58 0.00 0.04 -1.26 -4.94 135.00 132.82 3kc1 s PRO 239 Ca 0.65 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 3kc1 s PRO 239 Cb -0.42 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3kc1 s PRO 239 CO 0.36 -1.22 1.09 0.71 0.04 0.00 0.00 177.00 177.98 3kc1 s TYR 240 N -1.74 2.81 0.42 0.56 1.51 -0.32 -5.03 117.35 115.56 3kc1 s TYR 240 Ca 0.75 1.54 -0.07 0.00 -1.01 0.00 0.00 57.07 58.28 3kc1 s TYR 240 Cb -0.28 -3.14 -0.05 0.00 -0.11 0.00 0.00 41.96 38.38 3kc1 s TYR 240 CO 0.34 -1.33 0.75 0.20 -1.11 0.00 0.00 175.55 174.40 3kc1 s GLY 241 N -2.30 1.74 -0.04 0.71 0.00 0.34 -4.83 107.32 102.94 3kc1 s GLY 241 Ca 0.68 -0.38 0.03 0.00 0.00 0.00 0.00 44.72 45.04 3kc1 s GLY 241 CO 0.32 -0.21 -0.10 0.00 0.00 0.00 0.00 173.10 173.10 3kc1 s ALA 242 N -2.49 2.84 -0.12 3.20 0.00 -1.26 -1.45 121.76 122.49 3kc1 s ALA 242 Ca 0.49 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 3kc1 s ALA 242 Cb -0.10 -1.08 0.04 0.00 0.00 0.00 0.00 23.12 21.98 3kc1 s ALA 242 CO 0.37 0.57 0.29 1.03 0.00 0.00 0.00 175.76 178.02 3kc1 s ARG 243 N -0.92 0.27 -0.33 0.00 1.81 -1.01 -4.97 118.95 113.81 3kc1 s ARG 243 Ca 0.13 0.55 0.04 0.00 -1.72 0.00 0.00 55.73 54.72 3kc1 s ARG 243 Cb -0.11 -0.03 0.17 0.00 -0.45 0.00 0.00 34.95 34.53 3kc1 s ARG 243 CO 0.02 -0.13 0.46 -0.47 -0.68 0.00 0.00 175.30 174.50 3kc1 s TYR 244 N 1.01 -1.05 0.17 -0.53 5.04 -1.26 -4.04 117.35 116.70 3kc1 s TYR 244 Ca -0.07 0.08 -0.06 0.00 -2.44 0.00 0.00 57.07 54.58 3kc1 s TYR 244 Cb -0.08 -0.09 0.06 0.00 0.35 0.00 0.00 41.96 42.20 3kc1 s TYR 244 CO -0.07 -1.03 1.49 0.28 -1.34 0.00 0.00 175.55 174.88 3kc1 h VAL 245 N 5.64 1.30 0.00 3.14 2.07 -1.97 -3.47 116.25 122.95 3kc1 h VAL 245 Ca -0.02 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.80 3kc1 h VAL 245 Cb 1.12 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3kc1 h VAL 245 CO 0.21 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.95 3kc1 n GLY 246 N 0.21 0.35 3.24 2.17 0.00 -1.26 -5.01 105.19 104.89 3kc1 n GLY 246 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3kc1 n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kc1 s SER 247 N -2.31 3.91 0.20 1.61 0.15 -1.26 -4.86 113.70 111.14 3kc1 s SER 247 Ca 0.00 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.02 3kc1 s SER 247 Cb 0.00 -1.65 0.24 0.00 -1.71 0.00 0.00 66.02 62.90 3kc1 s SER 247 CO 0.00 -0.02 1.73 -0.03 1.20 0.00 0.00 173.24 176.11 3kc1 h MET 248 N 8.05 0.30 -0.84 5.44 4.05 -1.94 -0.95 114.93 129.04 3kc1 h MET 248 Ca -0.42 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.01 3kc1 h MET 248 Cb 1.15 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.83 3kc1 h MET 248 CO 0.61 0.20 0.54 0.28 0.23 0.00 0.00 176.91 178.77 3kc1 h VAL 249 N 0.31 1.14 -0.12 -5.77 2.07 -1.96 0.16 116.25 112.08 3kc1 h VAL 249 Ca 0.28 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3kc1 h VAL 249 Cb 0.37 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3kc1 h VAL 249 CO -0.33 0.19 -0.03 0.00 0.02 0.00 0.00 177.57 177.43 3kc1 h ALA 250 N 1.35 0.17 -0.59 1.67 0.00 -1.69 -1.51 119.26 118.65 3kc1 h ALA 250 Ca 0.33 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3kc1 h ALA 250 Cb -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kc1 h ALA 250 CO -0.11 -0.09 0.01 -0.44 0.00 0.00 0.00 179.25 178.62 3kc1 h ASP 251 N -0.08 1.01 -0.48 0.00 3.32 -0.95 -2.19 116.42 117.05 3kc1 h ASP 251 Ca 0.03 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.65 3kc1 h ASP 251 Cb 0.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3kc1 h ASP 251 CO 0.01 1.06 -0.19 0.58 -1.72 0.00 0.00 179.24 178.99 3kc1 h VAL 252 N 0.92 1.27 -0.71 -1.35 2.07 -0.70 -2.08 116.25 115.67 3kc1 h VAL 252 Ca 0.17 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 3kc1 h VAL 252 Cb 0.54 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3kc1 h VAL 252 CO 0.03 0.47 0.18 -0.74 0.02 0.00 0.00 177.57 177.53 3kc1 h HIS 253 N 0.82 1.19 -0.71 1.57 -0.00 -1.19 -0.37 115.15 116.46 3kc1 h HIS 253 Ca 0.11 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 3kc1 h HIS 253 Cb 0.77 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.81 3kc1 h HIS 253 CO 0.05 0.96 0.38 -0.09 -0.00 0.00 0.00 177.93 179.23 3kc1 h ARG 254 N 1.08 0.99 -0.66 5.26 2.43 -1.29 0.03 114.38 122.22 3kc1 h ARG 254 Ca 0.23 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3kc1 h ARG 254 Cb 0.36 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 3kc1 h ARG 254 CO 0.00 0.75 0.39 1.15 -1.51 0.00 0.00 179.97 180.75 3kc1 h THR 255 N 0.98 1.03 -0.28 0.20 2.02 -0.78 0.24 112.91 116.33 3kc1 h THR 255 Ca 0.25 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3kc1 h THR 255 Cb 0.05 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3kc1 h THR 255 CO -0.04 0.14 0.07 0.25 0.37 0.00 0.00 175.52 176.31 3kc1 h LEU 256 N 0.75 0.42 -0.10 2.58 5.85 -0.39 0.54 115.31 124.96 3kc1 h LEU 256 Ca 0.28 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3kc1 h LEU 256 Cb 0.09 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3kc1 h LEU 256 CO -0.14 0.53 -0.11 0.58 -0.34 0.00 0.00 178.44 178.97 3kc1 h VAL 257 N 0.28 1.37 0.00 1.05 2.07 -0.63 -3.36 116.25 117.03 3kc1 h VAL 257 Ca 0.09 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3kc1 h VAL 257 Cb 0.28 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3kc1 h VAL 257 CO 0.00 0.37 -1.40 -1.22 0.02 0.00 0.00 177.57 175.33 3kc1 n TYR 258 N -4.64 0.04 0.00 1.57 4.01 0.81 -4.91 117.16 114.04 3kc1 n TYR 258 Ca -0.07 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3kc1 n TYR 258 Cb 0.34 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3kc1 n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc1 n GLY 259 N 1.39 -1.08 0.00 2.72 0.00 0.19 -4.68 105.19 103.73 3kc1 n GLY 259 Ca 0.01 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3kc1 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc1 n GLY 260 N -1.17 0.25 2.95 -0.02 0.00 -1.26 -4.55 105.19 101.40 3kc1 n GLY 260 Ca 0.00 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 3kc1 n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kc1 s ILE 261 N 0.00 0.05 -0.06 -0.61 2.07 -0.59 -0.23 121.20 121.83 3kc1 s ILE 261 Ca 0.00 -0.44 0.05 0.00 -1.41 0.00 0.00 60.65 58.84 3kc1 s ILE 261 Cb 0.00 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 3kc1 s ILE 261 CO 0.00 -0.24 -0.21 0.12 -1.91 0.00 0.00 174.94 172.69 3kc1 s PHE 262 N -0.73 2.12 -0.02 3.50 5.36 0.22 -1.03 117.98 127.40 3kc1 s PHE 262 Ca -0.08 -0.66 0.02 0.00 -0.96 0.00 0.00 56.93 55.24 3kc1 s PHE 262 Cb -0.05 -1.41 0.01 0.00 -0.34 0.00 0.00 43.02 41.23 3kc1 s PHE 262 CO -0.00 -0.22 -0.06 -0.51 -1.46 0.00 0.00 175.22 172.97 3kc1 s LEU 263 N 0.01 1.72 -0.41 6.12 1.02 0.09 -1.02 118.68 126.21 3kc1 s LEU 263 Ca -0.06 -0.12 0.07 0.00 0.02 0.00 0.00 54.13 54.04 3kc1 s LEU 263 Cb -0.13 -0.38 0.23 0.00 0.02 0.00 0.00 46.19 45.93 3kc1 s LEU 263 CO 0.04 0.02 0.53 0.00 0.02 0.00 0.00 176.35 176.96 3kc1 n TYR 264 N 3.39 -0.88 -1.56 0.29 4.19 0.18 -4.42 117.16 118.35 3kc1 n TYR 264 Ca -0.19 -3.27 -0.29 0.00 3.31 0.00 0.00 57.90 57.47 3kc1 n TYR 264 Cb 0.55 0.01 0.15 0.00 0.49 0.00 0.00 39.34 40.54 3kc1 n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kc1 s PRO 265 N -0.72 0.83 0.38 2.98 0.04 -1.26 -1.81 135.00 135.45 3kc1 s PRO 265 Ca 0.34 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3kc1 s PRO 265 Cb 0.15 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 3kc1 s PRO 265 CO -0.14 -2.38 0.59 0.00 0.04 0.00 0.00 177.00 175.12 3kc1 s ALA 266 N -3.35 3.72 0.24 8.56 0.00 -1.26 -4.59 121.76 125.08 3kc1 s ALA 266 Ca 0.66 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 3kc1 s ALA 266 Cb -0.12 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3kc1 s ALA 266 CO 0.53 -0.14 0.52 0.54 0.00 0.00 0.00 175.76 177.20 3kc1 s ASN 267 N -4.10 -0.14 0.31 0.00 2.20 -0.50 -4.46 114.94 108.27 3kc1 s ASN 267 Ca 0.43 -0.82 0.08 0.00 -0.94 0.00 0.00 52.86 51.62 3kc1 s ASN 267 Cb -0.10 0.60 0.88 0.00 -2.00 0.00 0.00 41.25 40.63 3kc1 s ASN 267 CO 0.37 -1.15 1.69 0.07 -2.94 0.00 0.00 177.10 175.14 3kc1 h LYS 268 N 2.22 0.41 0.00 3.55 2.10 -1.94 0.18 116.57 123.09 3kc1 h LYS 268 Ca -0.25 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3kc1 h LYS 268 Cb 1.25 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3kc1 h LYS 268 CO 0.34 0.27 0.00 0.87 -2.00 0.00 0.00 179.45 178.93 3kc1 h LYS 269 N 0.42 0.00 -2.12 0.07 1.57 -1.96 -3.36 116.57 111.19 3kc1 h LYS 269 Ca 0.64 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.85 3kc1 h LYS 269 Cb 1.29 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.21 3kc1 h LYS 269 CO -0.55 0.00 -1.04 0.43 -0.57 0.00 0.00 179.45 177.72 3kc1 n SER 270 N -3.08 0.25 -0.02 0.86 7.64 0.48 -4.99 113.62 114.77 3kc1 n SER 270 Ca 0.04 -2.66 0.23 0.00 1.01 0.00 0.00 58.87 57.49 3kc1 n SER 270 Cb 0.50 -0.62 0.72 0.00 -1.01 0.00 0.00 64.21 63.80 3kc1 n SER 270 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kc1 h PRO 271 N 4.43 0.00 -0.23 1.43 0.11 -1.28 -0.72 132.00 135.74 3kc1 h PRO 271 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3kc1 h PRO 271 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3kc1 h PRO 271 CO 0.46 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.34 3kc1 n ASN 272 N -4.05 2.58 0.00 -2.05 5.03 -1.26 -4.70 115.26 110.80 3kc1 n ASN 272 Ca 0.12 -1.88 0.00 0.00 0.87 0.00 0.00 54.58 53.69 3kc1 n ASN 272 Cb 0.74 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 39.34 3kc1 n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kc1 n GLY 273 N 0.38 -1.99 0.02 7.41 0.00 -0.40 -0.70 105.19 109.91 3kc1 n GLY 273 Ca 0.09 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 3kc1 n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc1 n LYS 274 N -0.02 2.16 -2.19 1.61 5.02 -1.26 -4.65 118.16 118.83 3kc1 n LYS 274 Ca 0.00 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 3kc1 n LYS 274 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3kc1 n LYS 274 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kc1 s LEU 275 N -4.62 3.66 -0.00 -0.35 1.43 -1.26 -4.81 118.68 112.73 3kc1 s LEU 275 Ca -0.03 2.04 -0.20 0.00 -1.03 0.00 0.00 54.13 54.90 3kc1 s LEU 275 Cb 0.01 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 3kc1 s LEU 275 CO 0.11 -1.20 0.59 -0.13 0.23 0.00 0.00 176.35 175.95 3kc1 s ARG 276 N -3.55 4.30 0.07 1.70 3.00 -1.26 -0.82 118.95 122.39 3kc1 s ARG 276 Ca 0.69 0.72 -0.30 0.00 0.00 0.00 0.00 55.73 56.84 3kc1 s ARG 276 Cb -0.20 -3.33 -0.18 0.00 0.00 0.00 0.00 34.95 31.23 3kc1 s ARG 276 CO 0.30 0.39 1.63 1.25 0.00 0.00 0.00 175.30 178.86 3kc1 h LEU 277 N 5.56 -0.55 -0.35 2.53 5.85 -1.53 -0.25 115.31 126.57 3kc1 h LEU 277 Ca -0.46 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.29 3kc1 h LEU 277 Cb 1.20 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 3kc1 h LEU 277 CO 0.69 -0.38 0.19 -0.07 -0.34 0.00 0.00 178.44 178.53 3kc1 h LEU 278 N -0.68 0.29 -2.84 2.25 3.38 -1.80 -0.40 115.31 115.51 3kc1 h LEU 278 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kc1 h LEU 278 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kc1 h LEU 278 CO 0.11 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.85 3kc1 n TYR 279 N -4.92 0.16 0.09 1.13 0.18 -1.26 -4.52 117.16 108.02 3kc1 n TYR 279 Ca 0.00 -0.47 0.00 0.00 1.88 0.00 0.00 57.90 59.32 3kc1 n TYR 279 Cb 0.07 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 38.99 3kc1 n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3kc1 n GLU 280 N -0.10 0.00 0.11 -3.48 1.02 -0.87 -4.20 120.64 113.13 3kc1 n GLU 280 Ca 0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 3kc1 n GLU 280 Cb 0.30 -0.27 -0.07 0.00 -0.02 0.00 0.00 31.44 31.38 3kc1 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kc1 h ASN 282 N -0.87 -0.38 -0.54 0.00 -0.26 -1.31 0.20 115.58 112.41 3kc1 h ASN 282 Ca -0.03 0.10 0.03 0.00 -0.56 0.00 0.00 56.30 55.84 3kc1 h ASN 282 Cb 0.51 0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.95 3kc1 h ASN 282 CO 0.06 -0.14 0.31 -0.65 -1.06 0.00 0.00 177.43 175.94 3kc1 h PRO 283 N -0.07 0.59 -0.26 0.81 0.11 -1.80 0.80 132.00 132.18 3kc1 h PRO 283 Ca 0.14 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 3kc1 h PRO 283 Cb 0.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3kc1 h PRO 283 CO -0.31 0.39 -0.35 0.52 -0.21 0.00 0.00 178.00 178.04 3kc1 h MET 284 N 0.61 0.58 -0.65 1.05 2.86 -1.42 -1.52 114.93 116.44 3kc1 h MET 284 Ca 0.23 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 3kc1 h MET 284 Cb 0.07 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3kc1 h MET 284 CO -0.12 0.85 0.14 0.00 1.06 0.00 0.00 176.91 178.84 3kc1 h ALA 285 N 1.13 1.02 -0.37 6.32 0.00 -0.11 -0.40 119.26 126.84 3kc1 h ALA 285 Ca 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3kc1 h ALA 285 Cb 0.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kc1 h ALA 285 CO 0.07 0.63 0.01 -0.92 0.00 0.00 0.00 179.25 179.04 3kc1 h TYR 286 N 0.98 0.71 -0.38 0.00 3.20 -0.54 -1.12 116.97 119.83 3kc1 h TYR 286 Ca 0.21 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3kc1 h TYR 286 Cb 0.37 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3kc1 h TYR 286 CO 0.03 0.74 0.19 0.28 -1.64 0.00 0.00 178.16 177.75 3kc1 h VAL 287 N 0.47 1.16 -0.27 1.81 2.07 -1.06 -1.88 116.25 118.55 3kc1 h VAL 287 Ca 0.11 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3kc1 h VAL 287 Cb 0.45 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3kc1 h VAL 287 CO 0.02 0.17 0.15 0.24 0.02 0.00 0.00 177.57 178.17 3kc1 h MET 288 N 0.47 0.30 -0.58 1.57 2.86 -0.88 -1.80 114.93 116.87 3kc1 h MET 288 Ca 0.13 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 3kc1 h MET 288 Cb 0.10 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3kc1 h MET 288 CO -0.02 0.20 0.01 0.93 1.06 0.00 0.00 176.91 179.09 3kc1 h GLU 289 N 0.31 1.01 0.00 1.72 5.08 -1.08 1.00 114.58 122.62 3kc1 h GLU 289 Ca 0.11 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3kc1 h GLU 289 Cb 0.00 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3kc1 h GLU 289 CO -0.06 0.99 -0.13 0.87 -1.00 0.00 0.00 179.01 179.68 3kc1 h LYS 290 N 0.93 0.00 -0.32 2.33 1.79 -1.18 -0.78 116.57 119.34 3kc1 h LYS 290 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3kc1 h LYS 290 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3kc1 h LYS 290 CO 0.03 0.13 0.00 0.00 -1.08 0.00 0.00 179.45 178.53 3kc1 n ALA 291 N -2.27 2.46 -1.07 3.86 0.00 -0.69 -4.56 120.51 118.24 3kc1 n ALA 291 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3kc1 n ALA 291 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3kc1 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc1 n GLY 292 N 1.18 0.42 0.00 0.00 0.00 -0.30 -1.13 105.19 105.37 3kc1 n GLY 292 Ca 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3kc1 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc1 n GLY 293 N -2.70 2.64 3.17 -0.02 0.00 0.34 -4.50 105.19 104.12 3kc1 n GLY 293 Ca 0.00 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 3kc1 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kc1 s MET 294 N -1.49 0.84 -0.25 1.61 1.00 -0.56 -3.94 119.30 116.51 3kc1 s MET 294 Ca 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 55.69 54.37 3kc1 s MET 294 Cb 0.00 -0.30 0.14 0.00 0.00 0.00 0.00 34.83 34.67 3kc1 s MET 294 CO 0.00 0.01 0.42 0.00 0.00 0.00 0.00 175.02 175.45 3kc1 s ALA 295 N -3.30 -1.31 0.17 3.03 0.00 -1.26 -1.05 121.76 118.04 3kc1 s ALA 295 Ca 0.10 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.31 3kc1 s ALA 295 Cb 0.03 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3kc1 s ALA 295 CO -0.03 -1.20 -0.15 -0.08 0.00 0.00 0.00 175.76 174.30 3kc1 s THR 296 N 2.61 1.62 -1.20 0.00 -1.32 0.39 -1.89 115.64 115.86 3kc1 s THR 296 Ca 0.12 -1.97 0.24 0.00 -1.21 0.00 0.00 61.69 58.87 3kc1 s THR 296 Cb -0.15 -1.83 -0.00 0.00 -1.51 0.00 0.00 72.50 69.01 3kc1 s THR 296 CO -0.16 -0.47 1.30 0.35 -2.21 0.00 0.00 174.62 173.43 3kc1 n THR 297 N 0.10 0.00 0.00 5.08 -2.24 -0.07 -0.74 114.28 116.41 3kc1 n THR 297 Ca -0.12 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3kc1 n THR 297 Cb 0.58 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3kc1 n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kc1 n GLY 298 N 1.47 2.57 0.11 3.38 0.00 -1.26 -4.72 105.19 106.74 3kc1 n GLY 298 Ca 0.07 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 3kc1 n GLY 298 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc1 n LYS 299 N 0.00 0.68 -3.92 1.61 5.02 -1.26 -4.96 118.16 115.32 3kc1 n LYS 299 Ca 0.00 0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 56.33 3kc1 n LYS 299 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 3kc1 n LYS 299 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3kc1 s GLU 300 N -2.52 1.75 0.25 1.97 -1.05 -1.26 -5.14 118.70 112.70 3kc1 s GLU 300 Ca -0.21 -1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 53.13 3kc1 s GLU 300 Cb 0.07 0.55 -0.10 0.00 -0.44 0.00 0.00 34.13 34.22 3kc1 s GLU 300 CO 0.73 -0.77 1.39 0.00 0.95 0.00 0.00 175.26 177.55 3kc1 s ALA 301 N -3.75 3.58 0.26 -0.84 0.00 -1.26 -0.89 121.76 118.87 3kc1 s ALA 301 Ca 0.17 1.26 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 3kc1 s ALA 301 Cb -0.04 -3.53 0.54 0.00 0.00 0.00 0.00 23.12 20.10 3kc1 s ALA 301 CO 0.09 -0.67 1.75 0.28 0.00 0.00 0.00 175.76 177.21 3kc1 h VAL 302 N 3.52 0.69 0.00 0.00 2.07 -1.68 -0.53 116.25 120.32 3kc1 h VAL 302 Ca -0.46 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3kc1 h VAL 302 Cb 1.22 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3kc1 h VAL 302 CO 0.76 0.10 0.00 -0.07 0.02 0.00 0.00 177.57 178.38 3kc1 h LEU 303 N 0.57 0.00 -0.94 2.57 3.38 -1.90 -2.46 115.31 116.52 3kc1 h LEU 303 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3kc1 h LEU 303 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kc1 h LEU 303 CO -0.39 0.00 -0.34 0.47 0.09 0.00 0.00 178.44 178.27 3kc1 n ASP 304 N -2.46 1.80 -4.69 -0.43 8.00 -0.21 -0.68 116.55 117.87 3kc1 n ASP 304 Ca -0.00 -1.38 -0.42 0.00 0.71 0.00 0.00 54.79 53.70 3kc1 n ASP 304 Cb 0.13 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 3kc1 n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kc1 s VAL 305 N -2.41 3.33 -0.45 2.53 1.01 -0.93 -4.96 120.40 118.52 3kc1 s VAL 305 Ca 0.22 0.80 -0.19 0.00 0.00 0.00 0.00 61.98 62.82 3kc1 s VAL 305 Cb 0.19 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 33.09 3kc1 s VAL 305 CO 0.52 0.01 0.54 -0.63 0.00 0.00 0.00 175.10 175.54 3kc1 s ILE 306 N 2.21 4.97 0.53 2.22 1.01 -1.26 -4.34 121.20 126.54 3kc1 s ILE 306 Ca 0.68 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.81 3kc1 s ILE 306 Cb -0.36 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 3kc1 s ILE 306 CO 0.29 -0.58 1.19 -2.16 0.00 0.00 0.00 174.94 173.68 3kc1 s PRO 307 N 2.42 3.36 0.00 2.79 0.04 -1.26 -4.96 135.00 137.39 3kc1 s PRO 307 Ca 0.15 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3kc1 s PRO 307 Cb -0.17 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3kc1 s PRO 307 CO 0.14 -0.89 0.00 0.25 0.04 0.00 0.00 177.00 176.55 3kc1 n THR 308 N -1.06 0.00 -3.73 1.26 -2.24 -1.26 -4.79 114.28 102.46 3kc1 n THR 308 Ca 0.11 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 3kc1 n THR 308 Cb 0.49 0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 69.54 3kc1 n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kc1 s ASP 309 N -0.82 0.20 0.57 3.42 2.15 -1.26 -5.05 116.67 115.89 3kc1 s ASP 309 Ca 0.00 0.20 0.27 0.00 0.43 0.00 0.00 52.55 53.46 3kc1 s ASP 309 Cb 0.00 0.09 1.57 0.00 -0.30 0.00 0.00 42.92 44.28 3kc1 s ASP 309 CO 0.00 -0.17 2.07 0.16 -0.17 0.00 0.00 175.17 177.06 3kc1 h ILE 310 N 6.22 0.54 -0.38 4.11 3.07 -1.93 -1.65 117.51 127.50 3kc1 h ILE 310 Ca -0.36 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.05 3kc1 h ILE 310 Cb 1.13 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 3kc1 h ILE 310 CO 0.37 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.88 3kc1 n HIS 311 N -3.94 0.91 -1.94 0.16 8.25 -1.26 -4.46 115.22 112.94 3kc1 n HIS 311 Ca 0.03 -0.68 -0.37 0.00 -0.26 0.00 0.00 57.72 56.45 3kc1 n HIS 311 Cb 0.39 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.34 3kc1 n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3kc1 s GLN 312 N -1.93 2.98 0.53 -0.41 -2.07 -0.62 -4.83 119.66 113.30 3kc1 s GLN 312 Ca 0.37 1.95 -0.04 0.00 -1.82 0.00 0.00 55.36 55.82 3kc1 s GLN 312 Cb 0.26 -2.01 -0.00 0.00 -1.09 0.00 0.00 33.01 30.16 3kc1 s GLN 312 CO 0.15 -1.23 0.81 1.03 -1.32 0.00 0.00 175.29 174.72 3kc1 s ARG 313 N -3.21 3.07 -0.23 9.60 0.52 -1.26 -1.50 118.95 125.95 3kc1 s ARG 313 Ca 0.76 -0.13 -0.17 0.00 -0.52 0.00 0.00 55.73 55.68 3kc1 s ARG 313 Cb -0.34 -2.38 0.06 0.00 0.52 0.00 0.00 34.95 32.81 3kc1 s ARG 313 CO 0.37 -0.47 0.58 0.00 0.02 0.00 0.00 175.30 175.80 3kc1 s ALA 314 N -2.81 -1.48 0.55 2.13 0.00 0.12 -4.65 121.76 115.63 3kc1 s ALA 314 Ca 0.51 1.83 -0.17 0.00 0.00 0.00 0.00 51.96 54.13 3kc1 s ALA 314 Cb -0.10 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 21.88 3kc1 s ALA 314 CO 0.43 -0.30 1.04 -1.25 0.00 0.00 0.00 175.76 175.67 3kc1 s PRO 315 N 0.85 3.58 -0.16 0.00 0.04 -0.50 -4.17 135.00 134.64 3kc1 s PRO 315 Ca -0.04 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.07 3kc1 s PRO 315 Cb -0.05 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.47 3kc1 s PRO 315 CO -0.07 -0.59 0.41 0.54 0.04 0.00 0.00 177.00 177.33 3kc1 s VAL 316 N -2.37 -0.01 -0.11 -0.36 0.11 -0.75 -4.26 120.40 112.66 3kc1 s VAL 316 Ca 0.63 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.72 3kc1 s VAL 316 Cb -0.15 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3kc1 s VAL 316 CO 0.31 0.02 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.45 3kc1 s ILE 317 N 0.84 0.68 0.20 7.04 1.09 0.08 -0.65 121.20 130.49 3kc1 s ILE 317 Ca -0.05 -0.15 -0.03 0.00 -1.10 0.00 0.00 60.65 59.32 3kc1 s ILE 317 Cb -0.06 -0.83 -0.03 0.00 -1.06 0.00 0.00 42.46 40.48 3kc1 s ILE 317 CO -0.06 0.24 0.18 -1.48 -0.10 0.00 0.00 174.94 173.71 3kc1 s LEU 318 N 1.84 1.04 0.00 2.97 0.05 -0.19 -0.46 118.68 123.93 3kc1 s LEU 318 Ca 0.04 -1.31 0.00 0.00 0.05 0.00 0.00 54.13 52.91 3kc1 s LEU 318 Cb -0.13 0.59 0.00 0.00 -2.05 0.00 0.00 46.19 44.59 3kc1 s LEU 318 CO -0.07 -0.88 0.00 0.61 -0.55 0.00 0.00 176.35 175.46 3kc1 n GLY 319 N -0.28 0.64 3.66 -3.48 0.00 -0.22 -0.61 105.19 104.89 3kc1 n GLY 319 Ca 0.01 -1.90 -0.45 0.00 0.00 0.00 0.00 46.02 43.68 3kc1 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kc1 n SER 320 N 0.00 2.59 -0.17 1.61 7.64 0.68 -1.49 113.62 124.47 3kc1 n SER 320 Ca 0.00 1.14 -0.01 0.00 1.01 0.00 0.00 58.87 61.01 3kc1 n SER 320 Cb 0.00 -1.40 0.07 0.00 -1.01 0.00 0.00 64.21 61.88 3kc1 n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kc1 h PRO 321 N 4.20 0.14 -0.12 1.43 0.13 -1.76 -1.09 132.00 134.93 3kc1 h PRO 321 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3kc1 h PRO 321 Cb 1.28 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3kc1 h PRO 321 CO 0.76 0.09 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.12 3kc1 h ASP 322 N 0.14 0.17 -0.07 1.44 3.45 -1.69 0.57 116.42 120.43 3kc1 h ASP 322 Ca 0.27 -0.02 -0.13 0.00 0.43 0.00 0.00 57.03 57.58 3kc1 h ASP 322 Cb 0.42 -0.04 0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3kc1 h ASP 322 CO -0.43 0.26 -0.45 0.44 -1.57 0.00 0.00 179.24 177.49 3kc1 h ASP 323 N 0.18 0.51 -0.56 6.45 3.45 -1.48 -2.15 116.42 122.83 3kc1 h ASP 323 Ca 0.04 -0.67 -0.08 0.00 0.43 0.00 0.00 57.03 56.75 3kc1 h ASP 323 Cb 0.23 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 3kc1 h ASP 323 CO 0.01 1.11 0.06 0.58 -1.57 0.00 0.00 179.24 179.43 3kc1 h VAL 324 N -0.04 1.26 -0.97 -1.35 2.07 -0.98 -1.74 116.25 114.49 3kc1 h VAL 324 Ca -0.04 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3kc1 h VAL 324 Cb 1.12 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3kc1 h VAL 324 CO 0.09 0.37 0.64 -0.07 0.02 0.00 0.00 177.57 178.63 3kc1 h LEU 325 N 0.85 1.10 -0.60 2.57 4.07 -0.93 0.51 115.31 122.87 3kc1 h LEU 325 Ca 0.17 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 3kc1 h LEU 325 Cb 0.46 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 3kc1 h LEU 325 CO 0.02 0.79 0.17 -0.08 -1.08 0.00 0.00 178.44 178.25 3kc1 h GLU 326 N 1.29 0.94 -0.38 1.13 4.81 -1.00 -1.18 114.58 120.20 3kc1 h GLU 326 Ca 0.37 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3kc1 h GLU 326 Cb -0.11 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3kc1 h GLU 326 CO -0.09 0.85 0.20 0.35 -0.73 0.00 0.00 179.01 179.59 3kc1 h PHE 327 N 0.86 0.54 -0.52 0.92 3.57 -0.44 -2.24 116.94 119.63 3kc1 h PHE 327 Ca 0.19 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3kc1 h PHE 327 Cb 0.31 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3kc1 h PHE 327 CO 0.02 0.44 0.35 -0.07 -2.23 0.00 0.00 178.31 176.82 3kc1 h LEU 328 N 0.48 0.46 -0.30 0.59 3.38 -0.57 0.17 115.31 119.53 3kc1 h LEU 328 Ca 0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3kc1 h LEU 328 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3kc1 h LEU 328 CO -0.02 0.31 0.16 0.50 0.09 0.00 0.00 178.44 179.48 3kc1 h LYS 329 N 0.53 0.41 -0.58 1.13 3.64 -0.65 0.67 116.57 121.73 3kc1 h LYS 329 Ca 0.22 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3kc1 h LYS 329 Cb 0.20 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3kc1 h LYS 329 CO -0.06 0.36 0.07 0.28 -2.27 0.00 0.00 179.45 177.83 3kc1 h VAL 330 N 0.36 1.26 -0.34 2.00 2.07 -0.82 -1.91 116.25 118.87 3kc1 h VAL 330 Ca 0.10 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.62 3kc1 h VAL 330 Cb 0.07 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3kc1 h VAL 330 CO -0.02 0.37 0.16 0.22 0.02 0.00 0.00 177.57 178.33 3kc1 h TYR 331 N 0.88 0.30 -0.90 1.57 3.20 -0.34 -2.13 116.97 119.54 3kc1 h TYR 331 Ca 0.17 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3kc1 h TYR 331 Cb 0.46 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 3kc1 h TYR 331 CO 0.03 0.16 0.59 1.49 -1.64 0.00 0.00 178.16 178.79 3kc1 h GLU 332 N 0.34 1.18 -0.54 1.82 4.57 -0.68 -1.89 114.58 119.37 3kc1 h GLU 332 Ca 0.14 -0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3kc1 h GLU 332 Cb 0.06 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 3kc1 h GLU 332 CO -0.10 0.79 0.36 -0.22 -1.18 0.00 0.00 179.01 178.66 3kc1 h LYS 333 N 1.22 0.44 -0.65 1.92 3.64 -0.68 -0.81 116.57 121.65 3kc1 h LYS 333 Ca 0.33 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3kc1 h LYS 333 Cb -0.13 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3kc1 h LYS 333 CO -0.07 0.29 0.00 0.72 -2.27 0.00 0.00 179.45 178.12 3kc1 n HIS 334 N -4.47 0.89 0.29 1.91 8.25 -0.75 -5.11 115.22 116.24 3kc1 n HIS 334 Ca 0.08 -0.44 0.04 0.00 -0.26 0.00 0.00 57.72 57.13 3kc1 n HIS 334 Cb 0.28 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.41 3kc1 n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41