#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjx s ARG 7 N 0.00 3.72 -0.00 1.97 1.70 -1.26 -5.02 118.95 120.06 3kjx s ARG 7 Ca 0.00 1.29 -0.26 0.00 -0.47 0.00 0.00 55.73 56.28 3kjx s ARG 7 Cb 0.00 -2.09 -0.04 0.00 -0.57 0.00 0.00 34.95 32.25 3kjx s ARG 7 CO 0.00 -0.49 0.82 -1.25 -1.08 0.00 0.00 175.30 173.30 3kjx s PRO 8 N -3.48 4.51 0.36 3.89 0.04 -1.26 -5.04 135.00 134.03 3kjx s PRO 8 Ca 0.66 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.57 3kjx s PRO 8 Cb -0.15 -3.42 -0.09 0.00 0.04 0.00 0.00 34.50 30.87 3kjx s PRO 8 CO 0.24 0.11 1.09 -0.51 0.04 0.00 0.00 177.00 177.97 3kjx s LEU 9 N 0.54 4.28 -0.27 -3.56 1.43 -1.26 -5.02 118.68 114.82 3kjx s LEU 9 Ca 0.43 2.18 -0.26 0.00 -1.03 0.00 0.00 54.13 55.45 3kjx s LEU 9 Cb -0.20 -3.97 0.14 0.00 0.03 0.00 0.00 46.19 42.19 3kjx s LEU 9 CO 0.23 -0.42 1.13 0.28 0.23 0.00 0.00 176.35 177.81 3kjx s THR 10 N -1.44 0.00 0.00 5.49 -1.32 -1.26 -4.95 115.64 112.16 3kjx s THR 10 Ca 0.53 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.01 3kjx s THR 10 Cb -0.27 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.72 3kjx s THR 10 CO 0.34 0.00 0.00 0.18 -2.21 0.00 0.00 174.62 172.93 3kjx n LEU 11 N 1.79 0.00 0.03 9.08 4.77 -1.26 -1.77 117.00 129.64 3kjx n LEU 11 Ca -0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.75 3kjx n LEU 11 Cb 0.56 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 3kjx n LEU 11 CO 0.04 0.00 0.63 -0.09 -1.33 0.00 0.00 177.39 176.64 3kjx h ARG 12 N 0.00 -0.44 -0.97 3.23 9.65 -1.96 -1.76 114.38 122.12 3kjx h ARG 12 Ca 0.00 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 3kjx h ARG 12 Cb 0.00 0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 28.61 3kjx h ARG 12 CO 0.00 -0.30 0.62 -0.44 2.80 0.00 0.00 179.97 182.66 3kjx h ASP 13 N -0.46 0.96 -0.41 -3.80 5.19 -1.75 -1.22 116.42 114.93 3kjx h ASP 13 Ca 0.07 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 3kjx h ASP 13 Cb 0.57 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 3kjx h ASP 13 CO -0.32 0.59 0.23 0.58 -3.12 0.00 0.00 179.24 177.20 3kjx h VAL 14 N 1.07 1.14 -0.44 -1.35 2.07 -1.63 -1.73 116.25 115.39 3kjx h VAL 14 Ca 0.43 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3kjx h VAL 14 Cb 0.27 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3kjx h VAL 14 CO -0.18 0.15 0.18 -1.28 0.02 0.00 0.00 177.57 176.45 3kjx h SER 15 N 0.53 0.56 0.90 0.57 0.87 -0.53 -0.17 113.55 116.29 3kjx h SER 15 Ca 0.15 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3kjx h SER 15 Cb 0.03 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3kjx h SER 15 CO -0.03 0.51 0.00 -0.62 -0.53 0.00 0.00 176.83 176.16 3kjx n GLU 16 N -4.37 0.07 -0.02 2.24 1.02 -0.54 -1.75 120.64 117.29 3kjx n GLU 16 Ca 0.03 0.16 0.01 0.00 -0.02 0.00 0.00 57.16 57.35 3kjx n GLU 16 Cb 0.14 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 29.90 3kjx n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kjx n ALA 17 N -1.58 2.13 -0.02 0.62 0.00 -0.72 -4.67 120.51 116.26 3kjx n ALA 17 Ca 0.05 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 3kjx n ALA 17 Cb 0.29 -0.17 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 3kjx n ALA 17 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kjx n SER 18 N -2.01 1.98 0.00 0.00 3.41 -0.14 -4.96 113.62 111.90 3kjx n SER 18 Ca -0.06 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3kjx n SER 18 Cb 0.44 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3kjx n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kjx n GLY 19 N 2.01 0.47 3.83 5.00 0.00 -0.72 -4.98 105.19 110.81 3kjx n GLY 19 Ca -0.34 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3kjx n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kjx s VAL 20 N -2.19 4.94 0.13 1.61 -7.23 -1.25 -5.02 120.40 111.39 3kjx s VAL 20 Ca 0.00 0.95 -0.33 0.00 -1.81 0.00 0.00 61.98 60.79 3kjx s VAL 20 Cb 0.00 -3.77 -0.18 0.00 0.56 0.00 0.00 36.38 33.00 3kjx s VAL 20 CO 0.00 0.57 0.84 -0.24 -0.31 0.00 0.00 175.10 175.97 3kjx n SER 21 N 1.78 -0.28 -1.30 4.85 2.88 -1.26 -4.56 113.62 115.73 3kjx n SER 21 Ca -0.13 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 3kjx n SER 21 Cb 0.52 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 3kjx n SER 21 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3kjx n GLU 22 N 1.30 0.00 0.00 -1.46 2.13 -1.26 -0.21 120.64 121.14 3kjx n GLU 22 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 3kjx n GLU 22 Cb 0.19 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.42 3kjx n GLU 22 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3kjx n THR 24 N 1.28 0.00 -0.26 6.31 -2.24 -1.26 -2.83 114.28 115.28 3kjx n THR 24 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3kjx n THR 24 Cb 0.00 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 3kjx n THR 24 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3kjx h VAL 25 N 0.00 1.05 -0.72 2.28 2.07 -0.86 0.68 116.25 120.75 3kjx h VAL 25 Ca 0.00 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3kjx h VAL 25 Cb 0.00 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 3kjx h VAL 25 CO 0.00 0.15 0.46 -1.28 0.02 0.00 0.00 177.57 176.93 3kjx h SER 26 N 0.84 0.78 -0.22 0.57 0.87 -1.78 -2.50 113.55 112.11 3kjx h SER 26 Ca 0.31 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 3kjx h SER 26 Cb 0.10 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3kjx h SER 26 CO -0.15 0.56 -0.02 -0.09 -0.53 0.00 0.00 176.83 176.60 3kjx h ARG 27 N 0.93 0.40 -0.98 2.24 2.43 -1.43 -3.06 114.38 114.92 3kjx h ARG 27 Ca 0.28 -0.14 0.34 0.00 -0.81 0.00 0.00 59.98 59.64 3kjx h ARG 27 Cb -0.05 -0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 29.30 3kjx h ARG 27 CO -0.08 0.61 0.40 0.28 -1.51 0.00 0.00 179.97 179.67 3kjx h VAL 28 N 0.15 0.13 -1.51 0.20 2.07 0.75 -3.19 116.25 114.86 3kjx h VAL 28 Ca 0.06 -0.04 -0.68 0.00 0.82 0.00 0.00 66.70 66.85 3kjx h VAL 28 Cb 0.44 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.09 3kjx h VAL 28 CO 0.02 0.02 1.63 -0.76 0.02 0.00 0.00 177.57 178.50 3kjx s LEU 29 N -10.61 4.31 0.04 2.57 1.43 -1.13 -3.92 118.68 111.38 3kjx s LEU 29 Ca -0.10 -2.37 0.00 0.00 -1.03 0.00 0.00 54.13 50.62 3kjx s LEU 29 Cb 0.31 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3kjx s LEU 29 CO 0.78 -1.09 0.00 0.54 0.23 0.00 0.00 176.35 176.81 3kjx n ARG 30 N 7.41 0.00 -1.43 1.70 5.12 -1.20 -5.01 116.66 123.25 3kjx n ARG 30 Ca 0.39 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 3kjx n ARG 30 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 3kjx n ARG 30 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3kjx n ASN 31 N -2.78 -1.90 0.00 0.55 4.13 -1.25 -5.05 115.26 108.96 3kjx n ASN 31 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3kjx n ASN 31 Cb 0.00 -0.95 0.00 0.00 -1.54 0.00 0.00 39.78 37.29 3kjx n ASN 31 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 3kjx n ARG 32 N 0.05 0.00 -2.77 3.52 0.00 -1.26 -5.06 116.66 111.13 3kjx n ARG 32 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 3kjx n ARG 32 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 32.46 32.47 3kjx n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kjx n GLY 33 N 0.00 4.91 7.00 2.89 0.00 -1.26 -5.00 105.19 113.73 3kjx n GLY 33 Ca 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 46.02 43.59 3kjx n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kjx n ASP 34 N 2.49 0.00 -2.72 1.61 4.64 -1.26 -4.91 116.55 116.40 3kjx n ASP 34 Ca 0.31 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.69 3kjx n ASP 34 Cb 0.35 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.40 3kjx n ASP 34 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3kjx n VAL 35 N 0.00-10.65 -1.10 5.18 0.31 -1.26 -4.87 118.33 105.93 3kjx n VAL 35 Ca 0.00 2.14 -0.37 0.00 -0.01 0.00 0.00 64.34 66.10 3kjx n VAL 35 Cb 0.00 -5.92 0.03 0.00 -0.91 0.00 0.00 33.84 27.05 3kjx n VAL 35 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kjx n SER 36 N 1.63 -4.84 -0.93 4.52 2.88 -1.26 -4.60 113.62 111.02 3kjx n SER 36 Ca -0.27 0.38 -0.01 0.00 -1.33 0.00 0.00 58.87 57.64 3kjx n SER 36 Cb 0.44 -0.83 0.07 0.00 -0.75 0.00 0.00 64.21 63.14 3kjx n SER 36 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3kjx n ASP 37 N 2.82 2.34 -0.01 -3.46 8.00 -1.26 -1.33 116.55 123.66 3kjx n ASP 37 Ca 0.02 -2.23 0.01 0.00 0.71 0.00 0.00 54.79 53.30 3kjx n ASP 37 Cb 0.52 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3kjx n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kjx n ALA 38 N 0.14 2.07 0.44 2.24 0.00 -1.26 -3.69 120.51 120.45 3kjx n ALA 38 Ca 0.08 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.45 3kjx n ALA 38 Cb 0.54 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 3kjx n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3kjx n THR 39 N -1.75 0.00 -0.06 0.00 5.66 -1.04 -3.78 114.28 113.32 3kjx n THR 39 Ca -0.02 -0.33 -0.05 0.00 -3.05 0.00 0.00 64.05 60.60 3kjx n THR 39 Cb 0.22 1.05 -0.09 0.00 -1.55 0.00 0.00 70.33 69.96 3kjx n THR 39 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 3kjx n ARG 40 N -0.85 2.05 0.07 1.09 0.63 -0.44 -3.95 116.66 115.27 3kjx n ARG 40 Ca 0.03 -0.01 -0.06 0.00 -0.92 0.00 0.00 57.85 56.88 3kjx n ARG 40 Cb 0.17 -1.30 -0.10 0.00 0.45 0.00 0.00 32.46 31.68 3kjx n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kjx h ALA 41 N 0.59 0.38 -0.14 5.13 0.00 -1.76 -2.67 119.26 120.80 3kjx h ALA 41 Ca -0.30 -0.88 -0.20 0.00 0.00 0.00 0.00 54.91 53.53 3kjx h ALA 41 Cb 1.67 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3kjx h ALA 41 CO 0.02 1.20 -0.72 -0.09 0.00 0.00 0.00 179.25 179.66 3kjx h ARG 42 N 0.00 0.61 0.59 0.00 2.43 -1.77 0.63 114.38 116.88 3kjx h ARG 42 Ca -0.01 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 3kjx h ARG 42 Cb 1.73 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 31.38 3kjx h ARG 42 CO 0.13 1.10 -0.29 0.28 -1.51 0.00 0.00 179.97 179.68 3kjx h VAL 43 N 0.43 0.31 -0.67 0.20 2.07 -1.68 0.25 116.25 117.16 3kjx h VAL 43 Ca -0.03 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3kjx h VAL 43 Cb 1.31 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3kjx h VAL 43 CO 0.14 0.03 0.40 -0.07 0.02 0.00 0.00 177.57 178.09 3kjx h LEU 44 N -1.00 0.80 -0.98 2.57 3.38 -1.54 -1.30 115.31 117.24 3kjx h LEU 44 Ca -0.08 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3kjx h LEU 44 Cb 0.67 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3kjx h LEU 44 CO 0.13 0.62 0.13 0.00 0.09 0.00 0.00 178.44 179.42 3kjx h ALA 45 N 1.52 1.17 -0.41 1.53 0.00 -0.74 -1.88 119.26 120.45 3kjx h ALA 45 Ca 0.24 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3kjx h ALA 45 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kjx h ALA 45 CO -0.04 0.56 -0.30 0.00 0.00 0.00 0.00 179.25 179.47 3kjx h ALA 46 N 1.30 0.69 -0.55 0.00 0.00 0.09 -3.00 119.26 117.79 3kjx h ALA 46 Ca 0.18 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3kjx h ALA 46 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kjx h ALA 46 CO -0.00 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.93 3kjx h ALA 47 N 0.89 0.74 0.00 0.00 0.00 -0.96 -2.19 119.26 117.74 3kjx h ALA 47 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kjx h ALA 47 Cb 0.87 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3kjx h ALA 47 CO 0.08 0.55 -0.08 -0.22 0.00 0.00 0.00 179.25 179.58 3kjx h LYS 48 N 0.85 0.00 -0.07 0.00 3.64 -1.32 0.29 116.57 119.95 3kjx h LYS 48 Ca 0.16 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 3kjx h LYS 48 Cb 0.52 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3kjx h LYS 48 CO 0.03 0.08 -0.38 0.93 -2.27 0.00 0.00 179.45 177.84 3kjx h GLU 49 N 0.00 0.39 -0.10 1.90 4.39 -1.28 -3.31 114.58 116.56 3kjx h GLU 49 Ca -0.00 -0.32 -0.17 0.00 0.34 0.00 0.00 59.36 59.21 3kjx h GLU 49 Cb 0.15 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3kjx h GLU 49 CO 0.01 0.96 -0.66 -0.07 -1.16 0.00 0.00 179.01 178.09 3kjx h LEU 50 N -0.09 0.46 0.00 1.33 3.38 -0.81 -3.47 115.31 116.11 3kjx h LEU 50 Ca -0.03 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3kjx h LEU 50 Cb 1.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3kjx h LEU 50 CO 0.08 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.21 3kjx n GLY 51 N 0.42 1.27 3.72 0.83 0.00 0.91 -5.05 105.19 107.28 3kjx n GLY 51 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3kjx n GLY 51 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kjx s TYR 52 N -2.00 3.61 -0.22 1.61 5.04 -0.44 -5.00 117.35 119.94 3kjx s TYR 52 Ca 0.00 1.58 -0.02 0.00 -2.44 0.00 0.00 57.07 56.19 3kjx s TYR 52 Cb 0.00 -3.23 0.01 0.00 0.35 0.00 0.00 41.96 39.09 3kjx s TYR 52 CO 0.00 -0.48 -0.08 0.08 -1.34 0.00 0.00 175.55 173.73 3kjx s VAL 53 N 0.61 2.89 0.61 3.14 1.01 -1.26 -4.40 120.40 123.00 3kjx s VAL 53 Ca 0.53 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 3kjx s VAL 53 Cb -0.26 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3kjx s VAL 53 CO 0.30 0.36 1.18 -0.81 0.00 0.00 0.00 175.10 176.13 3kjx n PRO 54 N 4.71 1.15 -2.61 2.72 -0.04 -1.26 -4.89 135.00 134.78 3kjx n PRO 54 Ca -0.18 0.44 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 3kjx n PRO 54 Cb 0.49 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 3kjx n PRO 54 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3kjx s ASN 55 N -1.23 6.17 0.15 3.54 3.84 -1.26 -4.88 114.94 121.27 3kjx s ASN 55 Ca 0.78 -0.56 0.06 0.00 0.21 0.00 0.00 52.86 53.34 3kjx s ASN 55 Cb -0.41 -2.53 -0.10 0.00 -0.55 0.00 0.00 41.25 37.66 3kjx s ASN 55 CO 0.45 -1.76 1.33 0.11 -2.79 0.00 0.00 177.10 174.44 3kjx h LYS 56 N 9.94 0.05 -5.48 0.43 1.79 -2.01 -3.42 116.57 117.87 3kjx h LYS 56 Ca -0.28 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.01 3kjx h LYS 56 Cb 1.05 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 3kjx h LYS 56 CO 1.26 0.95 0.27 0.96 -1.08 0.00 0.00 179.45 181.82 3kjx s ILE 57 N -2.92 3.17 -0.04 1.86 -4.36 -1.26 -4.51 121.20 113.14 3kjx s ILE 57 Ca -0.00 -0.14 0.10 0.00 -0.26 0.00 0.00 60.65 60.35 3kjx s ILE 57 Cb 0.10 -3.38 0.19 0.00 1.25 0.00 0.00 42.46 40.62 3kjx s ILE 57 CO 0.82 -0.35 1.08 0.00 0.24 0.00 0.00 174.94 176.73 3kjx n ALA 58 N 17.03 2.26 -2.55 2.27 0.00 -1.26 -5.08 120.51 133.18 3kjx n ALA 58 Ca 0.44 -1.78 -0.43 0.00 0.00 0.00 0.00 53.44 51.68 3kjx n ALA 58 Cb 0.44 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 19.34 3kjx n ALA 58 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kjx s GLY 59 N -1.73 1.99 -0.92 0.00 0.00 -1.26 -4.91 107.32 100.50 3kjx s GLY 59 Ca 0.17 0.44 -0.17 0.00 0.00 0.00 0.00 44.72 45.15 3kjx s GLY 59 CO -0.04 2.19 1.05 0.00 0.00 0.00 0.00 173.10 176.30 3kjx s ALA 60 N 2.62 3.55 0.00 3.20 0.00 -1.08 -4.86 121.76 125.19 3kjx s ALA 60 Ca 0.51 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.56 3kjx s ALA 60 Cb -0.21 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 18.98 3kjx s ALA 60 CO 0.16 -2.81 0.00 1.28 0.00 0.00 0.00 175.76 174.39 3kjx n LEU 61 N 5.92 0.00 -0.23 0.00 4.32 -1.26 -2.19 117.00 123.55 3kjx n LEU 61 Ca 0.22 0.00 0.20 0.00 -0.02 0.00 0.00 56.01 56.41 3kjx n LEU 61 Cb 0.48 0.00 0.53 0.00 -1.62 0.00 0.00 43.42 42.82 3kjx n LEU 61 CO 0.47 0.00 1.23 0.00 -1.22 0.00 0.00 177.39 177.86 3kjx h ALA 62 N -0.43 2.26 -3.00 -1.18 0.00 -1.97 -3.30 119.26 111.64 3kjx h ALA 62 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kjx h ALA 62 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kjx h ALA 62 CO 0.00 -0.54 0.00 0.45 0.00 0.00 0.00 179.25 179.16 3kjx n SER 63 N -4.49 0.00 -4.69 0.00 2.88 -0.93 -4.60 113.62 101.79 3kjx n SER 63 Ca 0.19 0.35 -0.37 0.00 -1.33 0.00 0.00 58.87 57.71 3kjx n SER 63 Cb 0.72 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.10 3kjx n SER 63 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3kjx s ASN 64 N -2.29 6.33 0.13 -3.46 2.47 -1.24 -4.94 114.94 111.94 3kjx s ASN 64 Ca 0.00 0.37 0.10 0.00 0.42 0.00 0.00 52.86 53.76 3kjx s ASN 64 Cb 0.00 -2.17 -0.04 0.00 -1.45 0.00 0.00 41.25 37.59 3kjx s ASN 64 CO 0.00 0.04 -0.25 -0.13 -3.72 0.00 0.00 177.10 173.03 3kjx s ARG 65 N 0.91 1.33 0.72 0.43 0.52 -1.26 -2.64 118.95 118.96 3kjx s ARG 65 Ca 0.14 -1.31 -0.11 0.00 -0.52 0.00 0.00 55.73 53.93 3kjx s ARG 65 Cb -0.14 -1.76 0.02 0.00 0.52 0.00 0.00 34.95 33.60 3kjx s ARG 65 CO 0.05 0.41 1.08 0.14 0.02 0.00 0.00 175.30 177.00 3kjx s VAL 66 N -1.13 3.63 -0.36 3.52 -7.23 -0.93 -4.88 120.40 113.02 3kjx s VAL 66 Ca 0.12 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 3kjx s VAL 66 Cb -0.10 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.45 3kjx s VAL 66 CO 0.06 -0.69 0.55 -0.46 -0.31 0.00 0.00 175.10 174.25 3kjx n ASN 67 N -3.14 1.53 -4.81 4.85 6.94 -1.26 -2.66 115.26 116.71 3kjx n ASN 67 Ca 0.07 -1.34 -0.38 0.00 -0.02 0.00 0.00 54.58 52.91 3kjx n ASN 67 Cb 0.56 -0.34 -0.06 0.00 -2.36 0.00 0.00 39.78 37.58 3kjx n ASN 67 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3kjx s LEU 68 N 0.00 4.43 -0.27 -4.53 0.20 -1.26 -0.82 118.68 116.44 3kjx s LEU 68 Ca 0.00 0.93 0.03 0.00 0.69 0.00 0.00 54.13 55.78 3kjx s LEU 68 Cb 0.00 -2.61 0.06 0.00 -0.43 0.00 0.00 46.19 43.21 3kjx s LEU 68 CO 0.00 0.26 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.53 3kjx s VAL 69 N -0.71 2.23 -0.23 1.68 1.01 0.29 0.27 120.40 124.93 3kjx s VAL 69 Ca 0.24 -1.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 3kjx s VAL 69 Cb -0.16 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 3kjx s VAL 69 CO 0.13 -0.06 1.20 0.00 0.00 0.00 0.00 175.10 176.37 3kjx s ALA 70 N 1.10 3.58 -0.34 5.51 0.00 -0.25 -1.22 121.76 130.14 3kjx s ALA 70 Ca -0.08 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.06 3kjx s ALA 70 Cb -0.20 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.31 3kjx s ALA 70 CO -0.05 -1.33 0.10 0.08 0.00 0.00 0.00 175.76 174.56 3kjx s VAL 71 N 3.67 3.79 -0.30 0.00 1.01 -0.42 0.09 120.40 128.24 3kjx s VAL 71 Ca 0.52 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 3kjx s VAL 71 Cb -0.18 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.09 3kjx s VAL 71 CO 0.15 -0.17 0.04 -0.63 0.00 0.00 0.00 175.10 174.49 3kjx s ILE 72 N 1.41 3.47 0.18 2.22 1.01 0.43 -0.21 121.20 129.71 3kjx s ILE 72 Ca -0.01 -1.05 0.07 0.00 0.00 0.00 0.00 60.65 59.66 3kjx s ILE 72 Cb -0.19 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 3kjx s ILE 72 CO 0.03 -0.02 -0.14 0.27 0.00 0.00 0.00 174.94 175.09 3kjx s ILE 73 N 1.38 1.60 0.11 2.92 -4.36 -0.63 -1.03 121.20 121.18 3kjx s ILE 73 Ca -0.01 -2.13 0.09 0.00 -0.26 0.00 0.00 60.65 58.34 3kjx s ILE 73 Cb -0.18 -1.96 -0.12 0.00 1.25 0.00 0.00 42.46 41.45 3kjx s ILE 73 CO 0.00 -0.60 1.39 1.55 0.24 0.00 0.00 174.94 177.52 3kjx h PRO 74 N 2.70 0.00 -3.30 0.37 0.13 -1.94 -1.08 132.00 128.89 3kjx h PRO 74 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 3kjx h PRO 74 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 3kjx h PRO 74 CO 0.61 0.83 -0.04 0.45 -0.23 0.00 0.00 178.00 179.62 3kjx s SER 75 N -6.69 -0.28 0.00 1.44 0.15 -1.26 -0.92 113.70 106.14 3kjx s SER 75 Ca 0.01 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.42 3kjx s SER 75 Cb 0.10 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 3kjx s SER 75 CO 0.79 -0.84 0.36 0.18 1.20 0.00 0.00 173.24 174.93 3kjx n LEU 76 N -0.16 0.47 -0.05 3.45 4.77 -1.26 -4.60 117.00 119.62 3kjx n LEU 76 Ca -0.16 -0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 55.27 3kjx n LEU 76 Cb 0.63 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.58 3kjx n LEU 76 CO 0.17 0.12 -0.77 -1.20 -1.33 0.00 0.00 177.39 174.38 3kjx n SER 77 N -0.07 0.51 0.00 -1.43 7.64 -1.26 -4.89 113.62 114.12 3kjx n SER 77 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 3kjx n SER 77 Cb 0.26 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 3kjx n SER 77 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3kjx n ASN 78 N -2.91 0.00 0.00 6.43 0.23 -1.26 -5.04 115.26 112.71 3kjx n ASN 78 Ca -0.23 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.82 3kjx n ASN 78 Cb 1.08 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.78 3kjx n ASN 78 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3kjx n VAL 80 N 0.00 0.00 0.29 3.53 0.31 -1.26 -4.97 118.33 116.23 3kjx n VAL 80 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 3kjx n VAL 80 Cb 0.00 0.00 0.84 0.00 -0.91 0.00 0.00 33.84 33.77 3kjx n VAL 80 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3kjx h PHE 81 N 0.00 0.00 -0.69 3.52 0.04 -1.95 -3.04 116.94 114.82 3kjx h PHE 81 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3kjx h PHE 81 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3kjx h PHE 81 CO 0.00 0.05 0.33 -1.35 -0.60 0.00 0.00 178.31 176.75 3kjx h PRO 82 N 0.00 0.97 -0.46 1.51 0.11 -1.90 0.14 132.00 132.37 3kjx h PRO 82 Ca -0.00 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 65.90 3kjx h PRO 82 Cb 0.32 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3kjx h PRO 82 CO 0.01 0.75 -0.02 1.49 -0.21 0.00 0.00 178.00 180.01 3kjx h GLU 83 N 0.97 0.83 -1.00 1.05 4.57 -1.91 -1.66 114.58 117.43 3kjx h GLU 83 Ca 0.24 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3kjx h GLU 83 Cb 0.09 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 3kjx h GLU 83 CO -0.03 0.90 0.66 0.28 -1.18 0.00 0.00 179.01 179.63 3kjx h VAL 84 N 0.68 1.20 0.00 0.32 2.07 -1.39 -0.43 116.25 118.70 3kjx h VAL 84 Ca 0.13 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3kjx h VAL 84 Cb 0.53 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3kjx h VAL 84 CO 0.03 0.24 -0.37 0.25 0.02 0.00 0.00 177.57 177.74 3kjx h LEU 85 N 1.30 0.00 -0.55 2.57 5.85 -0.29 -1.74 115.31 122.45 3kjx h LEU 85 Ca 0.39 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.03 3kjx h LEU 85 Cb -0.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3kjx h LEU 85 CO -0.11 0.37 0.02 0.74 -0.34 0.00 0.00 178.44 179.12 3kjx h THR 86 N 0.00 1.26 -0.18 1.05 2.02 -0.17 -1.07 112.91 115.82 3kjx h THR 86 Ca -0.00 -1.08 -0.14 0.00 0.77 0.00 0.00 66.41 65.96 3kjx h THR 86 Cb 0.65 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3kjx h THR 86 CO 0.05 0.39 -0.47 1.23 0.37 0.00 0.00 175.52 177.08 3kjx h GLY 87 N 0.84 0.51 0.93 2.16 0.00 -0.97 -1.47 103.07 105.07 3kjx h GLY 87 Ca 0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3kjx h GLY 87 CO 0.02 0.49 0.14 -2.22 0.00 0.00 0.00 176.54 174.97 3kjx h ILE 88 N 0.37 1.19 -0.39 2.60 2.04 -1.07 -2.96 117.51 119.30 3kjx h ILE 88 Ca 0.02 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 3kjx h ILE 88 Cb 0.97 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3kjx h ILE 88 CO 0.09 0.21 -0.02 0.78 0.00 0.00 0.00 178.15 179.20 3kjx h ASN 89 N 0.43 0.69 -0.97 1.72 -0.26 -1.08 -1.59 115.58 114.53 3kjx h ASN 89 Ca 0.12 -0.32 0.16 0.00 -0.56 0.00 0.00 56.30 55.69 3kjx h ASN 89 Cb 0.20 -0.19 -0.09 0.00 -1.06 0.00 0.00 38.32 37.18 3kjx h ASN 89 CO -0.01 0.85 0.61 1.56 -1.06 0.00 0.00 177.43 179.38 3kjx h GLN 90 N 0.51 0.76 0.05 0.81 4.20 -1.22 0.16 115.11 120.39 3kjx h GLN 90 Ca 0.11 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3kjx h GLN 90 Cb 0.51 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.13 3kjx h GLN 90 CO 0.02 0.51 -0.38 0.28 -0.67 0.00 0.00 178.83 178.59 3kjx h VAL 91 N 0.79 1.62 0.00 -0.54 2.07 -1.36 -3.33 116.25 115.50 3kjx h VAL 91 Ca 0.51 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.73 3kjx h VAL 91 Cb 0.75 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 3kjx h VAL 91 CO -0.28 0.63 0.00 0.18 0.02 0.00 0.00 177.57 178.12 3kjx n LEU 92 N -4.39 0.12 -0.23 2.57 4.77 -0.61 -3.76 117.00 115.46 3kjx n LEU 92 Ca -0.11 0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 56.38 3kjx n LEU 92 Cb 0.62 -0.48 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 3kjx n LEU 92 CO 0.41 -0.10 1.08 -0.33 -1.33 0.00 0.00 177.39 177.12 3kjx h GLU 93 N 0.00 0.63 -0.02 3.23 5.08 -1.08 -0.96 114.58 121.46 3kjx h GLU 93 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kjx h GLU 93 Cb 0.47 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kjx h GLU 93 CO 0.00 0.41 0.00 -0.25 -1.00 0.00 0.00 179.01 178.17 3kjx n ASP 94 N -4.82 0.49 -4.89 1.42 8.00 -1.25 -4.83 116.55 110.68 3kjx n ASP 94 Ca 0.09 -1.30 -0.22 0.00 0.71 0.00 0.00 54.79 54.08 3kjx n ASP 94 Cb 0.21 -0.01 0.04 0.00 -0.02 0.00 0.00 41.12 41.34 3kjx n ASP 94 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3kjx n THR 95 N -0.55 0.00 0.54 -3.53 -2.24 -0.37 -5.01 114.28 103.13 3kjx n THR 95 Ca 0.19 -2.01 0.11 0.00 -2.27 0.00 0.00 64.05 60.07 3kjx n THR 95 Cb 0.17 -0.34 0.26 0.00 -2.10 0.00 0.00 70.33 68.31 3kjx n THR 95 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3kjx n GLU 96 N -2.09 2.30 -3.21 -0.78 4.07 -1.26 -4.92 120.64 114.74 3kjx n GLU 96 Ca 0.10 -1.96 -0.39 0.00 -0.06 0.00 0.00 57.16 54.85 3kjx n GLU 96 Cb 0.61 -1.48 -0.06 0.00 -0.06 0.00 0.00 31.44 30.45 3kjx n GLU 96 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3kjx s LEU 97 N -1.47 4.53 -0.19 4.31 1.43 -1.26 -4.88 118.68 121.15 3kjx s LEU 97 Ca 0.37 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 3kjx s LEU 97 Cb 0.21 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 43.45 3kjx s LEU 97 CO 0.30 0.25 -0.17 -1.58 0.23 0.00 0.00 176.35 175.38 3kjx s GLN 98 N -1.16 2.71 0.03 1.70 2.00 -0.00 -4.72 119.66 120.22 3kjx s GLN 98 Ca 0.31 -0.91 -0.21 0.00 -2.00 0.00 0.00 55.36 52.55 3kjx s GLN 98 Cb -0.20 -2.58 -0.06 0.00 0.80 0.00 0.00 33.01 30.97 3kjx s GLN 98 CO 0.21 -0.30 0.62 -1.25 -0.50 0.00 0.00 175.29 174.07 3kjx s PRO 99 N 1.28 4.32 -0.01 1.67 0.04 -1.26 -0.55 135.00 140.49 3kjx s PRO 99 Ca 0.02 0.80 0.04 0.00 0.04 0.00 0.00 61.00 61.90 3kjx s PRO 99 Cb -0.15 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 3kjx s PRO 99 CO -0.11 0.44 -0.14 0.54 0.04 0.00 0.00 177.00 177.77 3kjx s VAL 100 N -0.48 1.11 -0.14 -0.36 0.11 -0.36 -4.90 120.40 115.37 3kjx s VAL 100 Ca 0.32 -0.64 -0.13 0.00 -2.93 0.00 0.00 61.98 58.60 3kjx s VAL 100 Cb -0.19 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.68 3kjx s VAL 100 CO 0.19 0.29 0.29 -0.69 -3.33 0.00 0.00 175.10 171.84 3kjx s VAL 101 N -0.37 5.30 -0.11 2.04 1.01 -1.26 -1.31 120.40 125.70 3kjx s VAL 101 Ca 0.05 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3kjx s VAL 101 Cb -0.06 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3kjx s VAL 101 CO -0.00 0.43 -0.19 -0.83 0.00 0.00 0.00 175.10 174.50 3kjx s GLY 102 N 0.21 1.43 -0.18 4.51 0.00 0.71 -4.98 107.32 109.02 3kjx s GLY 102 Ca 0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 43.85 3kjx s GLY 102 CO 0.04 -0.27 0.16 0.14 0.00 0.00 0.00 173.10 173.17 3kjx s VAL 103 N 0.33 5.41 -0.29 1.40 1.01 -1.26 -1.61 120.40 125.40 3kjx s VAL 103 Ca -0.15 0.25 0.13 0.00 0.00 0.00 0.00 61.98 62.21 3kjx s VAL 103 Cb -0.17 -3.48 -0.18 0.00 0.00 0.00 0.00 36.38 32.55 3kjx s VAL 103 CO 0.07 0.47 0.41 0.35 0.00 0.00 0.00 175.10 176.41 3kjx n THR 104 N 3.19 0.00 -1.92 3.92 -2.24 -0.41 -4.94 114.28 111.88 3kjx n THR 104 Ca -0.16 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.17 3kjx n THR 104 Cb 0.53 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.27 3kjx n THR 104 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kjx n ASP 105 N -1.66 -5.37 0.00 3.42 8.00 -0.10 -1.87 116.55 118.97 3kjx n ASP 105 Ca -0.00 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.74 3kjx n ASP 105 Cb 0.28 -4.49 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 3kjx n ASP 105 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kjx n TYR 106 N -3.17 0.00 -2.68 1.24 4.01 -1.24 -4.96 117.16 110.36 3kjx n TYR 106 Ca -0.21 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.11 3kjx n TYR 106 Cb 0.65 -0.65 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 3kjx n TYR 106 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kjx s LEU 107 N 0.00 3.93 0.41 7.72 1.43 -0.78 -4.90 118.68 126.48 3kjx s LEU 107 Ca 0.00 0.89 0.09 0.00 -1.03 0.00 0.00 54.13 54.08 3kjx s LEU 107 Cb 0.00 -3.46 0.90 0.00 0.03 0.00 0.00 46.19 43.65 3kjx s LEU 107 CO 0.00 -0.89 2.03 1.55 0.23 0.00 0.00 176.35 179.27 3kjx h PRO 108 N 8.26 0.51 -0.31 1.29 0.13 -1.93 0.18 132.00 140.14 3kjx h PRO 108 Ca -0.21 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.74 3kjx h PRO 108 Cb 1.07 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 3kjx h PRO 108 CO 1.02 0.34 -0.38 1.05 -0.23 0.00 0.00 178.00 179.80 3kjx h GLU 109 N 0.53 0.73 -0.03 0.86 9.09 -1.94 -1.86 114.58 121.96 3kjx h GLU 109 Ca 0.20 -0.37 -0.15 0.00 0.05 0.00 0.00 59.36 59.09 3kjx h GLU 109 Cb 0.13 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.22 3kjx h GLU 109 CO -0.05 0.99 -0.66 -0.22 0.05 0.00 0.00 179.01 179.12 3kjx h LYS 110 N 0.60 0.12 -0.49 1.06 3.64 -1.49 -2.44 116.57 117.57 3kjx h LYS 110 Ca 0.05 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 3kjx h LYS 110 Cb 0.92 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3kjx h LYS 110 CO 0.08 0.73 -0.14 1.49 -2.27 0.00 0.00 179.45 179.35 3kjx h GLU 111 N 0.08 0.93 -0.78 1.90 4.81 -0.51 -1.77 114.58 119.24 3kjx h GLU 111 Ca -0.01 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 3kjx h GLU 111 Cb 1.17 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 3kjx h GLU 111 CO 0.09 1.00 0.34 1.49 -0.73 0.00 0.00 179.01 181.21 3kjx h GLU 112 N 0.82 1.14 -0.12 1.92 4.81 -1.17 -0.10 114.58 121.89 3kjx h GLU 112 Ca 0.13 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3kjx h GLU 112 Cb 0.68 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3kjx h GLU 112 CO 0.05 0.90 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.81 3kjx h LYS 113 N 1.12 0.35 -0.74 1.92 3.64 -1.19 -2.33 116.57 119.34 3kjx h LYS 113 Ca 0.27 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3kjx h LYS 113 Cb 0.16 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3kjx h LYS 113 CO -0.03 0.80 0.44 0.28 -2.27 0.00 0.00 179.45 178.67 3kjx h VAL 114 N -0.07 1.21 -0.51 2.00 2.07 -1.20 -1.51 116.25 118.25 3kjx h VAL 114 Ca 0.01 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3kjx h VAL 114 Cb 0.77 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3kjx h VAL 114 CO 0.05 0.23 0.31 0.25 0.02 0.00 0.00 177.57 178.42 3kjx h LEU 115 N 1.01 0.62 0.14 2.57 5.85 -1.02 -2.95 115.31 121.53 3kjx h LEU 115 Ca 0.26 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3kjx h LEU 115 Cb -0.02 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3kjx h LEU 115 CO -0.05 0.49 -0.07 0.22 -0.34 0.00 0.00 178.44 178.70 3kjx h TYR 116 N 0.68 -0.18 0.00 1.25 3.20 -1.10 -0.87 116.97 119.96 3kjx h TYR 116 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3kjx h TYR 116 Cb -0.01 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3kjx h TYR 116 CO -0.03 -0.09 0.00 0.39 -1.64 0.00 0.00 178.16 176.80 3kjx n GLU 117 N -5.16 0.00 0.00 1.82 -0.58 -0.60 -0.99 120.64 115.13 3kjx n GLU 117 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3kjx n GLU 117 Cb 0.11 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 3kjx n GLU 117 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3kjx n LEU 119 N 0.43 0.00 0.00 -4.62 4.77 -0.33 -3.35 117.00 113.90 3kjx n LEU 119 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3kjx n LEU 119 Cb 0.00 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.40 3kjx n LEU 119 CO 0.00 0.00 0.70 -1.54 -1.33 0.00 0.00 177.39 175.22 3kjx n SER 120 N 0.00 0.00 -0.64 -1.43 3.41 -0.16 -0.82 113.62 113.98 3kjx n SER 120 Ca 0.00 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.05 3kjx n SER 120 Cb 0.00 -0.41 0.21 0.00 -0.26 0.00 0.00 64.21 63.75 3kjx n SER 120 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kjx n TRP 121 N -1.41 0.00 -3.49 7.33 8.01 -1.21 -4.99 117.44 121.68 3kjx n TRP 121 Ca 0.05 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.04 3kjx n TRP 121 Cb 0.14 -0.02 0.06 0.00 -2.01 0.00 0.00 31.31 29.48 3kjx n TRP 121 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3kjx n ARG 122 N 0.49 -4.38 -0.73 -0.99 5.12 0.00 -4.60 116.66 111.57 3kjx n ARG 122 Ca 0.14 0.75 -0.29 0.00 -1.93 0.00 0.00 57.85 56.51 3kjx n ARG 122 Cb 0.48 -5.48 0.25 0.00 -1.16 0.00 0.00 32.46 26.55 3kjx n ARG 122 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3kjx s PRO 123 N -5.34 -1.44 0.03 5.56 0.04 -1.26 -2.20 135.00 130.39 3kjx s PRO 123 Ca 0.17 0.33 0.12 0.00 0.04 0.00 0.00 61.00 61.66 3kjx s PRO 123 Cb -0.03 -1.54 -0.20 0.00 0.04 0.00 0.00 34.50 32.77 3kjx s PRO 123 CO 0.77 -3.94 0.87 0.77 0.04 0.00 0.00 177.00 175.51 3kjx h SER 124 N -2.76 0.00 -5.05 6.66 0.02 0.05 -3.43 113.55 109.04 3kjx h SER 124 Ca -0.51 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.53 3kjx h SER 124 Cb 1.33 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.78 3kjx h SER 124 CO 0.41 0.92 0.33 -0.83 -1.14 0.00 0.00 176.83 176.53 3kjx s GLY 125 N -4.94 -0.28 -0.03 -3.77 0.00 -1.22 -4.24 107.32 92.85 3kjx s GLY 125 Ca -0.03 0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.86 3kjx s GLY 125 CO 0.82 0.04 -0.11 0.14 0.00 0.00 0.00 173.10 173.99 3kjx s VAL 126 N -3.60 0.91 -0.24 1.40 1.01 -0.47 -1.09 120.40 118.32 3kjx s VAL 126 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3kjx s VAL 126 Cb -0.03 -0.80 0.06 0.00 0.00 0.00 0.00 36.38 35.62 3kjx s VAL 126 CO -0.00 0.28 -0.03 -0.63 0.00 0.00 0.00 175.10 174.71 3kjx s ILE 127 N 0.12 1.43 0.01 2.22 1.01 0.11 -1.18 121.20 124.93 3kjx s ILE 127 Ca -0.02 -1.22 0.07 0.00 0.00 0.00 0.00 60.65 59.48 3kjx s ILE 127 Cb -0.09 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3kjx s ILE 127 CO 0.01 -0.17 -0.21 -0.51 0.00 0.00 0.00 174.94 174.06 3kjx s ILE 128 N 1.43 1.69 0.22 2.92 2.07 -0.44 -0.43 121.20 128.65 3kjx s ILE 128 Ca -0.04 -1.04 -0.30 0.00 -1.41 0.00 0.00 60.65 57.87 3kjx s ILE 128 Cb -0.19 -1.43 -0.08 0.00 0.13 0.00 0.00 42.46 40.89 3kjx s ILE 128 CO -0.07 0.37 1.00 0.00 -1.91 0.00 0.00 174.94 174.33 3kjx s ALA 129 N -0.62 3.34 0.00 1.50 0.00 -0.20 -0.93 121.76 124.85 3kjx s ALA 129 Ca 0.08 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.75 3kjx s ALA 129 Cb -0.08 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3kjx s ALA 129 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.20 3kjx n GLY 130 N 1.63 -1.60 0.48 0.00 0.00 -0.49 -4.81 105.19 100.40 3kjx n GLY 130 Ca -0.00 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.53 3kjx n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjx n LEU 131 N -1.91 1.95 -4.62 0.99 4.77 -1.26 -4.57 117.00 112.36 3kjx n LEU 131 Ca 0.00 -0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 54.68 3kjx n LEU 131 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3kjx n LEU 131 CO 0.00 0.36 -0.27 -1.61 -1.33 0.00 0.00 177.39 174.54 3kjx s GLU 132 N -1.19 3.83 0.15 3.23 8.01 -1.26 -4.96 118.70 126.51 3kjx s GLU 132 Ca 0.14 -0.38 -0.06 0.00 0.01 0.00 0.00 54.97 54.69 3kjx s GLU 132 Cb 0.11 -3.12 -0.02 0.00 -4.31 0.00 0.00 34.13 26.79 3kjx s GLU 132 CO 0.19 0.32 0.19 -1.01 0.01 0.00 0.00 175.26 174.96 3kjx s HIS 133 N 0.22 0.60 -1.04 1.61 3.76 -1.26 -5.06 115.29 114.12 3kjx s HIS 133 Ca 0.03 -0.96 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 3kjx s HIS 133 Cb -0.13 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.33 3kjx s HIS 133 CO 0.01 -0.64 0.36 -1.13 -0.85 0.00 0.00 174.74 172.48 3kjx n SER 134 N -0.17 0.65 0.00 1.40 3.41 -1.26 -4.79 113.62 112.86 3kjx n SER 134 Ca -0.06 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 3kjx n SER 134 Cb 0.63 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3kjx n SER 134 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3kjx n GLU 135 N 0.13 0.00 -0.07 4.33 2.13 -1.26 -4.15 120.64 121.76 3kjx n GLU 135 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3kjx n GLU 135 Cb 0.16 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.93 3kjx n GLU 135 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kjx h ALA 136 N 0.00 0.75 -0.32 4.31 0.00 -1.99 0.22 119.26 122.24 3kjx h ALA 136 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 3kjx h ALA 136 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kjx h ALA 136 CO 0.00 0.66 -0.43 0.00 0.00 0.00 0.00 179.25 179.48 3kjx h ALA 137 N 0.97 0.64 -0.57 0.00 0.00 -1.92 -2.95 119.26 115.43 3kjx h ALA 137 Ca 0.06 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3kjx h ALA 137 Cb 0.90 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3kjx h ALA 137 CO 0.08 0.67 0.10 -0.09 0.00 0.00 0.00 179.25 180.01 3kjx h ARG 138 N 0.65 0.95 -0.92 0.00 2.43 -1.80 -0.37 114.38 115.33 3kjx h ARG 138 Ca 0.04 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3kjx h ARG 138 Cb 1.00 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3kjx h ARG 138 CO 0.10 0.90 0.00 0.00 -1.51 0.00 0.00 179.97 179.46 3kjx n ALA 139 N -2.43 1.30 0.00 2.80 0.00 0.75 -0.48 120.51 122.45 3kjx n ALA 139 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kjx n ALA 139 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3kjx n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kjx n LEU 141 N 0.70 0.00 0.10 0.00 4.77 -0.15 -0.88 117.00 121.55 3kjx n LEU 141 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3kjx n LEU 141 Cb 0.02 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.27 3kjx n LEU 141 CO 0.00 0.00 0.52 -0.78 -1.33 0.00 0.00 177.39 175.80 3kjx h ASP 142 N 0.00 0.19 -0.40 -1.43 1.82 -1.03 -3.16 116.42 112.41 3kjx h ASP 142 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 3kjx h ASP 142 Cb 0.00 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.96 3kjx h ASP 142 CO 0.00 0.71 0.00 0.00 -1.61 0.00 0.00 179.24 178.34 3kjx n ALA 143 N -2.46 2.43 -2.59 -0.78 0.00 -0.06 -4.88 120.51 112.17 3kjx n ALA 143 Ca -0.02 -0.98 -0.43 0.00 0.00 0.00 0.00 53.44 52.01 3kjx n ALA 143 Cb 0.58 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 3kjx n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kjx s ALA 144 N -1.49 3.17 0.00 0.00 0.00 -1.20 -4.90 121.76 117.35 3kjx s ALA 144 Ca 0.39 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 3kjx s ALA 144 Cb 0.23 -3.78 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 3kjx s ALA 144 CO 0.31 -2.25 1.10 0.41 0.00 0.00 0.00 175.76 175.33 3kjx n GLY 145 N 4.96 1.58 3.16 0.00 0.00 -1.26 -4.69 105.19 108.94 3kjx n GLY 145 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3kjx n GLY 145 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kjx s ILE 146 N 0.96 0.43 0.13 -0.61 -4.36 -1.26 -5.10 121.20 111.39 3kjx s ILE 146 Ca 0.01 -1.91 -0.31 0.00 -0.26 0.00 0.00 60.65 58.18 3kjx s ILE 146 Cb 0.00 -1.84 -0.10 0.00 1.25 0.00 0.00 42.46 41.77 3kjx s ILE 146 CO 0.00 -0.70 1.71 -2.84 0.24 0.00 0.00 174.94 173.34 3kjx s PRO 147 N -3.93 4.17 -0.09 0.37 0.02 -1.26 -4.90 135.00 129.38 3kjx s PRO 147 Ca 0.17 2.47 0.04 0.00 0.02 0.00 0.00 61.00 63.70 3kjx s PRO 147 Cb 0.07 -3.42 -0.00 0.00 0.02 0.00 0.00 34.50 31.17 3kjx s PRO 147 CO -0.02 -0.75 -0.23 0.08 -0.33 0.00 0.00 177.00 175.75 3kjx s VAL 148 N 2.11 1.99 -0.11 3.83 1.01 -1.26 -1.37 120.40 126.61 3kjx s VAL 148 Ca 0.76 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3kjx s VAL 148 Cb -0.44 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.24 3kjx s VAL 148 CO 0.33 0.55 -0.09 -0.69 0.00 0.00 0.00 175.10 175.20 3kjx s VAL 149 N 0.29 1.11 -0.14 2.92 1.01 -0.32 -3.67 120.40 121.59 3kjx s VAL 149 Ca -0.16 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 3kjx s VAL 149 Cb -0.17 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3kjx s VAL 149 CO 0.08 0.38 0.31 -1.61 0.00 0.00 0.00 175.10 174.26 3kjx s GLU 150 N 1.48 4.20 -0.58 2.72 2.02 -0.96 -1.33 118.70 126.24 3kjx s GLU 150 Ca 0.01 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.15 3kjx s GLU 150 Cb -0.13 -3.40 0.15 0.00 0.10 0.00 0.00 34.13 30.85 3kjx s GLU 150 CO -0.06 0.29 0.36 0.96 0.02 0.00 0.00 175.26 176.84 3kjx s ILE 151 N 0.28 3.20 0.25 -1.63 -4.36 -0.11 -1.71 121.20 117.12 3kjx s ILE 151 Ca 0.18 -3.16 0.00 0.00 -0.26 0.00 0.00 60.65 57.41 3kjx s ILE 151 Cb -0.13 -3.14 0.00 0.00 1.25 0.00 0.00 42.46 40.44 3kjx s ILE 151 CO 0.05 -0.85 0.00 -0.67 0.24 0.00 0.00 174.94 173.72 3kjx n ASP 153 N 3.27 -7.12 -0.02 4.36 -0.08 -1.26 -1.39 116.55 114.31 3kjx n ASP 153 Ca 0.07 0.93 0.07 0.00 -1.51 0.00 0.00 54.79 54.35 3kjx n ASP 153 Cb 0.35 -3.25 -0.13 0.00 2.34 0.00 0.00 41.12 40.43 3kjx n ASP 153 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3kjx n SER 154 N 0.33 1.17 -4.10 1.67 7.64 0.36 -4.57 113.62 116.11 3kjx n SER 154 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 3kjx n SER 154 Cb 0.00 1.66 -0.06 0.00 -1.01 0.00 0.00 64.21 64.80 3kjx n SER 154 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3kjx n ASP 155 N -2.14 2.80 0.00 6.43 8.00 -1.26 -4.80 116.55 125.59 3kjx n ASP 155 Ca -0.06 -2.69 0.00 0.00 0.71 0.00 0.00 54.79 52.75 3kjx n ASP 155 Cb 0.50 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 3kjx n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kjx n GLY 156 N 5.16 -0.50 3.71 0.44 0.00 -1.26 -5.04 105.19 107.71 3kjx n GLY 156 Ca 0.47 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 3kjx n GLY 156 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kjx s LYS 157 N -1.81 4.22 0.49 1.61 2.20 -1.26 -5.09 119.74 120.10 3kjx s LYS 157 Ca 0.00 0.04 -0.04 0.00 -0.36 0.00 0.00 55.97 55.62 3kjx s LYS 157 Cb 0.00 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.85 3kjx s LYS 157 CO 0.00 0.18 0.76 -1.25 -0.36 0.00 0.00 175.35 174.69 3kjx s PRO 158 N 0.65 3.29 -0.04 4.03 0.04 -1.26 -4.99 135.00 136.73 3kjx s PRO 158 Ca 0.15 -0.05 -0.24 0.00 0.04 0.00 0.00 61.00 60.91 3kjx s PRO 158 Cb -0.13 -2.42 -0.23 0.00 0.04 0.00 0.00 34.50 31.76 3kjx s PRO 158 CO 0.04 -0.30 1.07 0.28 0.04 0.00 0.00 177.00 178.13 3kjx h VAL 159 N 0.22 1.51 -1.69 -0.36 2.07 -1.96 -3.46 116.25 112.58 3kjx h VAL 159 Ca -0.47 -1.88 0.08 0.00 0.82 0.00 0.00 66.70 65.25 3kjx h VAL 159 Cb 1.23 2.65 -0.25 0.00 -1.52 0.00 0.00 31.29 33.40 3kjx h VAL 159 CO 0.61 0.52 0.27 -0.62 0.02 0.00 0.00 177.57 178.36 3kjx s ASP 160 N -6.33 -0.65 0.48 0.57 2.15 -1.26 -5.03 116.67 106.60 3kjx s ASP 160 Ca -0.15 1.04 0.00 0.00 0.43 0.00 0.00 52.55 53.87 3kjx s ASP 160 Cb 0.02 1.26 0.00 0.00 -0.30 0.00 0.00 42.92 43.90 3kjx s ASP 160 CO 0.75 -0.17 0.00 0.00 -0.17 0.00 0.00 175.17 175.59 3kjx n ALA 161 N 3.87 -3.47 -3.20 3.66 0.00 -1.24 -3.87 120.51 116.26 3kjx n ALA 161 Ca -0.19 0.72 0.04 0.00 0.00 0.00 0.00 53.44 54.01 3kjx n ALA 161 Cb 0.58 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 3kjx n ALA 161 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kjx s VAL 163 N -3.94 -0.01 -0.58 0.00 1.01 -0.70 -2.26 120.40 113.91 3kjx s VAL 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3kjx s VAL 163 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3kjx s VAL 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3kjx n GLY 164 N 4.38 -1.21 3.65 4.51 0.00 -0.90 -4.13 105.19 111.49 3kjx n GLY 164 Ca -0.07 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 3kjx n GLY 164 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kjx s ILE 165 N -3.00 2.05 -0.33 -0.61 -4.36 -1.26 -1.01 121.20 112.67 3kjx s ILE 165 Ca 0.00 -1.93 -0.19 0.00 -0.26 0.00 0.00 60.65 58.27 3kjx s ILE 165 Cb 0.00 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.73 3kjx s ILE 165 CO 0.00 0.00 0.57 -0.55 0.24 0.00 0.00 174.94 175.20 3kjx s SER 166 N -3.76 6.40 0.35 4.36 0.15 -1.26 -0.49 113.70 119.44 3kjx s SER 166 Ca 0.36 0.18 0.19 0.00 0.70 0.00 0.00 55.95 57.37 3kjx s SER 166 Cb 0.08 -2.30 0.33 0.00 -1.71 0.00 0.00 66.02 62.43 3kjx s SER 166 CO 0.19 -0.49 1.57 0.45 1.20 0.00 0.00 173.24 176.16 3kjx h HIS 167 N 8.36 0.00 0.10 3.44 -0.00 -1.91 -2.17 115.15 122.97 3kjx h HIS 167 Ca -0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.09 3kjx h HIS 167 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 3kjx h HIS 167 CO 0.74 0.35 -0.05 -0.09 -0.00 0.00 0.00 177.93 178.89 3kjx h ARG 168 N 0.00 -0.13 -1.00 2.45 2.43 -1.91 -2.19 114.38 114.03 3kjx h ARG 168 Ca -0.00 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3kjx h ARG 168 Cb 1.16 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.67 3kjx h ARG 168 CO 0.05 0.19 0.65 -0.09 -1.51 0.00 0.00 179.97 179.25 3kjx h ARG 169 N -0.47 1.15 -0.68 0.20 2.43 -1.87 -0.27 114.38 114.87 3kjx h ARG 169 Ca -0.01 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3kjx h ARG 169 Cb 0.38 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3kjx h ARG 169 CO 0.02 0.76 0.44 0.00 -1.51 0.00 0.00 179.97 179.69 3kjx h ALA 170 N 1.45 0.86 -0.45 2.80 0.00 -1.25 0.45 119.26 123.12 3kjx h ALA 170 Ca 0.43 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 3kjx h ALA 170 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kjx h ALA 170 CO -0.16 0.29 -0.17 0.78 0.00 0.00 0.00 179.25 179.99 3kjx h GLY 171 N 0.92 0.99 0.84 0.00 0.00 -0.64 -3.18 103.07 102.00 3kjx h GLY 171 Ca 0.25 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 3kjx h GLY 171 CO -0.05 0.78 0.01 3.21 0.00 0.00 0.00 176.54 180.49 3kjx h ARG 172 N 0.75 0.04 0.00 4.80 3.08 -0.73 -1.53 114.38 120.79 3kjx h ARG 172 Ca 0.11 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3kjx h ARG 172 Cb 0.73 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3kjx h ARG 172 CO 0.06 0.20 0.00 -1.91 -1.07 0.00 0.00 179.97 177.24 3kjx n GLU 173 N -4.98 0.00 0.00 0.04 4.07 0.15 -0.95 120.64 118.97 3kjx n GLU 173 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 3kjx n GLU 173 Cb 0.11 -0.84 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 3kjx n GLU 173 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kjx n ALA 175 N 0.14 0.00 -0.17 4.31 0.00 -0.58 -2.21 120.51 122.00 3kjx n ALA 175 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3kjx n ALA 175 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3kjx n ALA 175 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3kjx h GLN 176 N 0.00 0.50 -0.73 0.00 1.08 -1.31 -1.62 115.11 113.02 3kjx h GLN 176 Ca 0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3kjx h GLN 176 Cb 0.00 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 3kjx h GLN 176 CO 0.00 0.33 0.44 0.00 -0.95 0.00 0.00 178.83 178.66 3kjx h ALA 177 N 1.27 0.94 -0.38 3.87 0.00 -1.71 -0.88 119.26 122.36 3kjx h ALA 177 Ca 0.22 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3kjx h ALA 177 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kjx h ALA 177 CO -0.15 0.41 -0.27 0.82 0.00 0.00 0.00 179.25 180.06 3kjx h ILE 178 N 1.00 1.27 -0.21 0.00 2.04 -1.79 -0.27 117.51 119.56 3kjx h ILE 178 Ca 0.26 -1.41 -0.09 0.00 1.00 0.00 0.00 64.86 64.63 3kjx h ILE 178 Cb -0.03 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3kjx h ILE 178 CO -0.05 0.47 -0.21 -0.07 0.00 0.00 0.00 178.15 178.29 3kjx h LEU 179 N 0.69 0.55 -1.68 1.44 3.38 -1.11 -1.32 115.31 117.26 3kjx h LEU 179 Ca 0.08 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3kjx h LEU 179 Cb 0.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3kjx h LEU 179 CO 0.07 0.92 -0.08 0.50 0.09 0.00 0.00 178.44 179.94 3kjx h LYS 180 N 0.20 0.11 0.00 1.13 3.64 -1.05 0.42 116.57 121.02 3kjx h LYS 180 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3kjx h LYS 180 Cb 0.76 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3kjx h LYS 180 CO 0.05 0.19 0.00 0.00 -2.27 0.00 0.00 179.45 177.43 3kjx n ALA 181 N -2.51 2.11 -0.46 5.00 0.00 -0.12 -4.90 120.51 119.63 3kjx n ALA 181 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3kjx n ALA 181 Cb 0.19 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3kjx n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjx n GLY 182 N 0.82 0.73 3.81 0.00 0.00 0.14 -4.78 105.19 105.91 3kjx n GLY 182 Ca 0.08 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3kjx n GLY 182 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kjx s TYR 183 N -2.00 3.73 0.24 1.61 1.51 -0.52 -5.03 117.35 116.89 3kjx s TYR 183 Ca 0.00 1.43 0.02 0.00 -1.01 0.00 0.00 57.07 57.50 3kjx s TYR 183 Cb 0.00 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 3kjx s TYR 183 CO 0.00 0.41 0.17 1.03 -1.11 0.00 0.00 175.55 176.06 3kjx s ARG 184 N -1.66 1.39 -0.74 -0.62 1.81 -1.26 -4.57 118.95 113.28 3kjx s ARG 184 Ca 0.39 -1.76 -0.00 0.00 -1.72 0.00 0.00 55.73 52.64 3kjx s ARG 184 Cb -0.19 0.26 0.00 0.00 -0.45 0.00 0.00 34.95 34.57 3kjx s ARG 184 CO 0.22 -0.47 0.69 0.54 -0.68 0.00 0.00 175.30 175.60 3kjx n ARG 185 N -0.39 -1.36 -4.03 3.54 1.74 -1.26 -4.02 116.66 110.88 3kjx n ARG 185 Ca 0.04 1.44 -0.33 0.00 -0.77 0.00 0.00 57.85 58.22 3kjx n ARG 185 Cb 0.65 -5.44 -0.06 0.00 -1.02 0.00 0.00 32.46 26.59 3kjx n ARG 185 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kjx s ILE 186 N -2.99 4.99 0.16 0.55 1.01 -1.26 -1.87 121.20 121.78 3kjx s ILE 186 Ca 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 60.65 60.49 3kjx s ILE 186 Cb -0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3kjx s ILE 186 CO 0.76 0.37 -0.25 -0.83 0.00 0.00 0.00 174.94 174.99 3kjx s GLY 187 N -1.71 1.62 0.38 6.18 0.00 0.11 -0.58 107.32 113.32 3kjx s GLY 187 Ca 0.23 -1.53 0.06 0.00 0.00 0.00 0.00 44.72 43.48 3kjx s GLY 187 CO 0.14 -1.54 0.22 0.33 0.00 0.00 0.00 173.10 172.26 3kjx n PHE 188 N 0.63 -0.36 0.00 1.90 7.35 -0.08 -0.82 117.46 126.08 3kjx n PHE 188 Ca -0.16 -2.80 0.00 0.00 -0.76 0.00 0.00 57.45 53.74 3kjx n PHE 188 Cb 0.54 0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.53 3kjx n PHE 188 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kjx n GLY 190 N -0.78 2.36 3.77 7.13 0.00 -0.91 -0.49 105.19 116.27 3kjx n GLY 190 Ca 0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3kjx n GLY 190 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kjx s THR 191 N -2.00 1.60 -0.14 2.61 -4.23 -1.26 -1.75 115.64 110.47 3kjx s THR 191 Ca 0.00 -1.82 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 3kjx s THR 191 Cb 0.00 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.43 3kjx s THR 191 CO 0.00 0.00 0.06 0.29 -0.54 0.00 0.00 174.62 174.43 3kjx n LYS 192 N -1.34 -2.50 0.00 3.99 4.76 -0.51 -4.85 118.16 117.71 3kjx n LYS 192 Ca -0.10 2.13 0.00 0.00 -2.87 0.00 0.00 58.31 57.47 3kjx n LYS 192 Cb 0.66 -3.30 0.00 0.00 -1.84 0.00 0.00 35.03 30.55 3kjx n LYS 192 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3kjx n PRO 194 N 1.45 0.00 0.08 1.97 -0.04 -1.26 0.26 135.00 137.46 3kjx n PRO 194 Ca -0.10 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.47 3kjx n PRO 194 Cb 0.29 -1.51 0.56 0.00 -0.04 0.00 0.00 33.50 32.80 3kjx n PRO 194 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kjx h LEU 195 N 0.00 0.20 -8.07 1.53 -0.00 -1.92 -3.37 115.31 103.69 3kjx h LEU 195 Ca 0.00 -0.00 -0.70 0.00 -0.00 0.00 0.00 57.88 57.18 3kjx h LEU 195 Cb 0.01 -0.05 -0.19 0.00 -0.00 0.00 0.00 40.66 40.44 3kjx h LEU 195 CO 0.00 0.14 0.44 -0.62 -0.00 0.00 0.00 178.44 178.40 3kjx s ASP 196 N -6.68 6.41 0.42 -0.43 -1.08 0.14 -4.92 116.67 110.54 3kjx s ASP 196 Ca -0.06 -1.74 0.09 0.00 -0.52 0.00 0.00 52.55 50.32 3kjx s ASP 196 Cb 0.18 -2.34 0.92 0.00 -1.46 0.00 0.00 42.92 40.21 3kjx s ASP 196 CO 0.71 -1.08 2.06 1.88 0.52 0.00 0.00 175.17 179.25 3kjx h TYR 197 N 8.94 0.46 -0.19 -5.34 -1.99 -1.87 -2.35 116.97 114.63 3kjx h TYR 197 Ca -0.08 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 3kjx h TYR 197 Cb 1.06 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 3kjx h TYR 197 CO 1.00 0.28 0.06 0.00 -0.00 0.00 0.00 178.16 179.50 3kjx h ARG 198 N 0.49 0.30 -0.92 4.88 3.08 -1.96 0.50 114.38 120.75 3kjx h ARG 198 Ca 0.16 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3kjx h ARG 198 Cb 0.03 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3kjx h ARG 198 CO -0.04 0.41 0.61 0.00 -1.07 0.00 0.00 179.97 179.88 3kjx h ALA 199 N 0.88 1.36 -0.48 0.04 0.00 -1.84 -1.32 119.26 117.89 3kjx h ALA 199 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3kjx h ALA 199 Cb 0.24 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kjx h ALA 199 CO -0.00 0.58 0.22 0.00 0.00 0.00 0.00 179.25 180.05 3kjx h ARG 200 N 1.22 0.71 -0.18 0.00 3.08 -1.01 -1.76 114.38 116.44 3kjx h ARG 200 Ca 0.35 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3kjx h ARG 200 Cb -0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3kjx h ARG 200 CO -0.09 0.60 -0.08 0.87 -1.07 0.00 0.00 179.97 180.21 3kjx h LYS 201 N 0.64 0.27 -0.25 0.04 1.57 0.11 -0.42 116.57 118.54 3kjx h LYS 201 Ca 0.17 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 3kjx h LYS 201 Cb 0.14 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kjx h LYS 201 CO -0.02 0.37 -0.51 0.00 -0.57 0.00 0.00 179.45 178.72 3kjx h ARG 202 N 0.26 0.70 -0.60 3.15 3.08 -0.93 -1.64 114.38 118.40 3kjx h ARG 202 Ca 0.06 -0.42 -0.09 0.00 0.07 0.00 0.00 59.98 59.60 3kjx h ARG 202 Cb 0.32 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3kjx h ARG 202 CO 0.02 1.04 0.04 0.35 -1.07 0.00 0.00 179.97 180.35 3kjx h PHE 203 N 0.55 1.12 0.38 3.04 3.57 -0.62 -0.62 116.94 124.36 3kjx h PHE 203 Ca 0.02 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 3kjx h PHE 203 Cb 1.07 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 3kjx h PHE 203 CO 0.05 0.98 -0.23 0.93 -2.23 0.00 0.00 178.31 177.81 3kjx h GLU 204 N 0.94 -0.57 -0.95 1.11 5.08 -0.92 0.28 114.58 119.55 3kjx h GLU 204 Ca 0.18 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3kjx h GLU 204 Cb 0.50 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 3kjx h GLU 204 CO 0.02 -0.38 0.63 0.78 -1.00 0.00 0.00 179.01 179.06 3kjx h GLY 205 N -0.59 1.34 0.83 -3.84 0.00 -1.23 0.12 103.07 99.71 3kjx h GLY 205 Ca -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 3kjx h GLY 205 CO 0.04 0.47 -0.25 -2.75 0.00 0.00 0.00 176.54 174.05 3kjx h PHE 206 N 1.27 -0.67 -0.64 5.60 3.57 -0.83 -2.69 116.94 122.55 3kjx h PHE 206 Ca 0.35 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.90 3kjx h PHE 206 Cb -0.12 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 3kjx h PHE 206 CO -0.01 -0.38 0.37 1.15 -2.23 0.00 0.00 178.31 177.21 3kjx h THR 207 N -0.60 1.01 0.15 4.41 2.02 -0.66 -2.57 112.91 116.67 3kjx h THR 207 Ca -0.03 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.92 3kjx h THR 207 Cb 0.51 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3kjx h THR 207 CO 0.01 0.13 -0.32 -0.08 0.37 0.00 0.00 175.52 175.63 3kjx h GLU 208 N 0.70 -0.55 -0.63 6.66 4.81 -0.83 0.11 114.58 124.84 3kjx h GLU 208 Ca 0.27 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 3kjx h GLU 208 Cb 0.12 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3kjx h GLU 208 CO -0.15 -0.36 0.30 0.28 -0.73 0.00 0.00 179.01 178.34 3kjx h VAL 209 N -0.57 1.22 -0.83 0.32 2.07 -1.40 0.24 116.25 117.31 3kjx h VAL 209 Ca 0.02 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 66.96 3kjx h VAL 209 Cb 0.58 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3kjx h VAL 209 CO -0.17 0.26 0.52 -0.07 0.02 0.00 0.00 177.57 178.12 3kjx h LEU 210 N 0.87 0.84 -0.24 2.57 3.38 -1.18 -1.77 115.31 119.77 3kjx h LEU 210 Ca 0.22 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3kjx h LEU 210 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kjx h LEU 210 CO -0.03 0.56 0.13 1.23 0.09 0.00 0.00 178.44 180.42 3kjx h GLY 211 N 0.98 0.37 1.30 0.83 0.00 0.00 0.81 103.07 107.36 3kjx h GLY 211 Ca 0.35 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.57 3kjx h GLY 211 CO -0.14 0.17 0.30 0.50 0.00 0.00 0.00 176.54 177.37 3kjx h LYS 212 N 0.28 0.30 -0.81 4.80 1.57 -0.45 0.13 116.57 122.38 3kjx h LYS 212 Ca 0.09 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 3kjx h LYS 212 Cb 0.08 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 3kjx h LYS 212 CO -0.01 0.20 0.13 0.09 -0.57 0.00 0.00 179.45 179.29 3kjx n ASN 213 N -4.47 3.94 -2.16 0.86 3.02 -0.71 -4.91 115.26 110.83 3kjx n ASN 213 Ca 0.06 -2.75 -0.19 0.00 -0.03 0.00 0.00 54.58 51.67 3kjx n ASN 213 Cb 0.30 -0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 38.80 3kjx n ASN 213 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjx n GLY 214 N 0.11 -0.40 3.08 7.41 0.00 0.45 -5.02 105.19 110.82 3kjx n GLY 214 Ca 0.25 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3kjx n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjx s VAL 215 N -2.94 0.90 0.01 1.61 0.11 0.23 -5.00 120.40 115.32 3kjx s VAL 215 Ca 0.00 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.39 3kjx s VAL 215 Cb 0.00 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 3kjx s VAL 215 CO 0.00 0.10 -0.12 -1.83 -3.33 0.00 0.00 175.10 169.92 3kjx s GLU 216 N -0.67 0.87 0.01 1.54 -1.05 -1.26 -2.69 118.70 115.45 3kjx s GLU 216 Ca 0.02 -0.52 -0.37 0.00 -0.15 0.00 0.00 54.97 53.95 3kjx s GLU 216 Cb -0.06 -0.84 -0.19 0.00 -0.44 0.00 0.00 34.13 32.60 3kjx s GLU 216 CO 0.00 0.22 0.98 -0.89 0.95 0.00 0.00 175.26 176.52 3kjx n ILE 217 N 2.47 0.15 0.09 1.83 2.08 -1.26 -4.77 119.36 119.95 3kjx n ILE 217 Ca -0.15 -0.04 0.04 0.00 0.56 0.00 0.00 62.75 63.16 3kjx n ILE 217 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.43 3kjx n ILE 217 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3kjx h GLU 218 N 2.72 0.00 -2.03 0.38 4.81 -1.20 -3.47 114.58 115.79 3kjx h GLU 218 Ca -0.47 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 3kjx h GLU 218 Cb 1.36 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.53 3kjx h GLU 218 CO 0.61 0.28 0.06 0.34 -0.73 0.00 0.00 179.01 179.58 3kjx s ASP 219 N -5.94 -0.83 0.06 1.04 -1.08 -1.16 -5.04 116.67 103.71 3kjx s ASP 219 Ca 0.00 1.46 0.02 0.00 -0.52 0.00 0.00 52.55 53.51 3kjx s ASP 219 Cb 0.08 1.41 -0.03 0.00 -1.46 0.00 0.00 42.92 42.92 3kjx s ASP 219 CO 0.78 -0.24 -0.06 0.00 0.52 0.00 0.00 175.17 176.16 3kjx s ARG 220 N 0.97 0.59 -0.04 4.34 1.04 -1.26 -0.90 118.95 123.69 3kjx s ARG 220 Ca -0.05 -0.93 -0.02 0.00 -1.04 0.00 0.00 55.73 53.69 3kjx s ARG 220 Cb -0.05 -0.18 0.03 0.00 -2.04 0.00 0.00 34.95 32.71 3kjx s ARG 220 CO -0.09 0.01 0.06 -2.00 -0.04 0.00 0.00 175.30 173.23 3kjx s GLU 221 N -2.36 -0.06 -0.07 3.89 2.12 0.36 -4.95 118.70 117.63 3kjx s GLU 221 Ca -0.03 0.35 -0.00 0.00 0.36 0.00 0.00 54.97 55.64 3kjx s GLU 221 Cb -0.04 -0.49 -0.03 0.00 0.26 0.00 0.00 34.13 33.82 3kjx s GLU 221 CO -0.02 -0.31 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.30 3kjx s PHE 222 N 2.04 3.05 -0.02 5.30 0.08 -1.26 -2.14 117.98 125.02 3kjx s PHE 222 Ca 0.03 0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.20 3kjx s PHE 222 Cb -0.12 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 3kjx s PHE 222 CO -0.03 0.41 -0.06 -0.47 -0.10 0.00 0.00 175.22 174.97 3kjx s TYR 223 N -0.88 0.65 -1.19 0.36 5.04 -0.72 -4.99 117.35 115.63 3kjx s TYR 223 Ca 0.14 -0.15 0.24 0.00 -2.44 0.00 0.00 57.07 54.86 3kjx s TYR 223 Cb -0.11 -0.50 0.35 0.00 0.35 0.00 0.00 41.96 42.05 3kjx s TYR 223 CO 0.03 -0.09 1.31 -1.13 -1.34 0.00 0.00 175.55 174.32 3kjx n SER 224 N 3.43 0.79 -4.08 4.32 3.41 -1.26 -1.57 113.62 118.66 3kjx n SER 224 Ca -0.19 -0.60 -0.25 0.00 -0.26 0.00 0.00 58.87 57.57 3kjx n SER 224 Cb 0.54 0.41 0.16 0.00 -0.26 0.00 0.00 64.21 65.06 3kjx n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kjx n GLY 225 N 1.47 -0.47 3.76 5.00 0.00 -1.26 -4.19 105.19 109.49 3kjx n GLY 225 Ca 0.07 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 3kjx n GLY 225 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kjx s GLY 226 N -5.37 1.64 0.48 -0.02 0.00 -1.26 -1.42 107.32 101.37 3kjx s GLY 226 Ca 0.67 0.01 -0.21 0.00 0.00 0.00 0.00 44.72 45.19 3kjx s GLY 226 CO 0.46 0.43 1.09 -0.45 0.00 0.00 0.00 173.10 174.64 3kjx s SER 227 N -3.54 6.18 -0.26 1.64 0.15 -1.26 -4.84 113.70 111.77 3kjx s SER 227 Ca 0.62 2.10 -0.29 0.00 0.70 0.00 0.00 55.95 59.08 3kjx s SER 227 Cb -0.17 -2.58 0.18 0.00 -1.71 0.00 0.00 66.02 61.74 3kjx s SER 227 CO 0.56 -0.90 1.29 0.00 1.20 0.00 0.00 173.24 175.39 3kjx s ALA 228 N -1.77 -2.08 0.25 5.45 0.00 -1.26 -4.90 121.76 117.43 3kjx s ALA 228 Ca 0.67 1.83 -0.04 0.00 0.00 0.00 0.00 51.96 54.41 3kjx s ALA 228 Cb -0.22 -1.38 0.28 0.00 0.00 0.00 0.00 23.12 21.80 3kjx s ALA 228 CO 0.26 -0.25 1.78 -0.07 0.00 0.00 0.00 175.76 177.49 3kjx h LEU 229 N 2.20 0.91 -1.02 0.00 4.07 -1.96 -2.71 115.31 116.81 3kjx h LEU 229 Ca -0.11 -0.17 -0.04 0.00 0.08 0.00 0.00 57.88 57.64 3kjx h LEU 229 Cb 1.18 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.65 3kjx h LEU 229 CO 0.24 0.88 0.24 0.00 -1.08 0.00 0.00 178.44 178.71 3kjx h ALA 230 N 1.24 1.22 -0.65 1.53 0.00 -1.95 -1.98 119.26 118.67 3kjx h ALA 230 Ca 0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kjx h ALA 230 Cb 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kjx h ALA 230 CO -0.00 0.56 0.23 -0.22 0.00 0.00 0.00 179.25 179.82 3kjx h LYS 231 N 0.93 0.98 -0.75 0.00 1.63 -1.87 -1.82 116.57 115.67 3kjx h LYS 231 Ca 0.22 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3kjx h LYS 231 Cb 0.20 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 3kjx h LYS 231 CO -0.02 0.84 0.45 0.78 -3.45 0.00 0.00 179.45 178.06 3kjx h GLY 232 N 0.92 1.09 0.94 5.01 0.00 -1.17 -2.84 103.07 107.03 3kjx h GLY 232 Ca 0.21 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3kjx h GLY 232 CO -0.01 0.45 -0.00 -0.09 0.00 0.00 0.00 176.54 176.88 3kjx h ARG 233 N 1.03 -0.01 -0.17 4.80 2.43 -1.05 -0.78 114.38 120.63 3kjx h ARG 233 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3kjx h ARG 233 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3kjx h ARG 233 CO -0.05 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 178.86 3kjx n GLU 234 N -5.06 0.00 0.00 0.20 1.02 -0.71 -0.73 120.64 115.36 3kjx n GLU 234 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3kjx n GLU 234 Cb 0.06 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3kjx n GLU 234 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3kjx n THR 236 N 0.53 0.00 0.35 2.62 -1.04 -0.30 -1.64 114.28 114.80 3kjx n THR 236 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 3kjx n THR 236 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 3kjx n THR 236 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3kjx h GLN 237 N 0.00 -0.84 -1.53 -2.82 4.15 -1.17 -2.23 115.11 110.67 3kjx h GLN 237 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3kjx h GLN 237 Cb 0.00 0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3kjx h GLN 237 CO 0.00 -0.56 0.00 0.00 -1.93 0.00 0.00 178.83 176.34 3kjx n ALA 238 N -2.50 1.16 0.00 3.38 0.00 -0.65 -1.54 120.51 120.36 3kjx n ALA 238 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3kjx n ALA 238 Cb 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3kjx n ALA 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kjx n LEU 240 N 0.83 0.00 -0.06 0.00 4.77 -0.84 -1.75 117.00 119.95 3kjx n LEU 240 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3kjx n LEU 240 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3kjx n LEU 240 CO 0.00 0.00 0.53 -0.08 -1.33 0.00 0.00 177.39 176.51 3kjx h GLU 241 N 0.00 0.48 0.09 3.23 4.81 -1.53 -2.57 114.58 119.07 3kjx h GLU 241 Ca 0.00 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3kjx h GLU 241 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3kjx h GLU 241 CO 0.00 0.88 -0.04 0.00 -0.73 0.00 0.00 179.01 179.12 3kjx h ARG 242 N 0.11 -0.11 -3.14 1.92 3.08 -1.62 -3.41 114.38 111.21 3kjx h ARG 242 Ca 0.02 0.01 -0.64 0.00 0.07 0.00 0.00 59.98 59.43 3kjx h ARG 242 Cb 0.84 0.03 -0.40 0.00 0.08 0.00 0.00 29.97 30.51 3kjx h ARG 242 CO 0.06 0.42 -0.47 -1.12 -1.07 0.00 0.00 179.97 177.79 3kjx s SER 243 N -5.69 5.08 0.62 7.04 0.01 -1.25 -4.94 113.70 114.57 3kjx s SER 243 Ca -0.13 -3.81 0.39 0.00 1.31 0.00 0.00 55.95 53.71 3kjx s SER 243 Cb -0.00 -1.70 2.00 0.00 0.21 0.00 0.00 66.02 66.53 3kjx s SER 243 CO 0.50 -0.11 2.23 1.55 0.41 0.00 0.00 173.24 177.82 3kjx h PRO 244 N 5.56 0.00 -0.90 12.44 0.13 -1.70 -3.16 132.00 144.37 3kjx h PRO 244 Ca 0.14 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.96 3kjx h PRO 244 Cb 0.77 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.71 3kjx h PRO 244 CO 0.75 0.01 0.40 -0.25 -0.23 0.00 0.00 178.00 178.68 3kjx n ASP 245 N -3.18 4.02 -4.76 1.44 8.00 -1.26 -4.95 116.55 115.85 3kjx n ASP 245 Ca -0.02 -3.19 -0.39 0.00 0.71 0.00 0.00 54.79 51.90 3kjx n ASP 245 Cb 0.16 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.45 3kjx n ASP 245 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kjx s LEU 246 N -2.64 4.50 -0.00 0.64 1.43 -1.19 -4.92 118.68 116.50 3kjx s LEU 246 Ca 0.47 1.97 0.12 0.00 -1.03 0.00 0.00 54.13 55.66 3kjx s LEU 246 Cb 0.39 -3.78 -0.14 0.00 0.03 0.00 0.00 46.19 42.69 3kjx s LEU 246 CO 0.10 0.00 0.50 -0.90 0.23 0.00 0.00 176.35 176.29 3kjx n ASP 247 N 1.05 0.66 -3.74 2.29 5.68 -0.78 -4.72 116.55 116.99 3kjx n ASP 247 Ca -0.00 -0.74 -0.12 0.00 -0.50 0.00 0.00 54.79 53.42 3kjx n ASP 247 Cb 0.48 1.03 -0.11 0.00 -1.14 0.00 0.00 41.12 41.38 3kjx n ASP 247 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3kjx s PHE 248 N -2.18 -0.42 -0.17 2.11 5.36 -1.19 0.08 117.98 121.56 3kjx s PHE 248 Ca 0.04 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 3kjx s PHE 248 Cb 0.09 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.94 3kjx s PHE 248 CO 0.50 -0.23 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.33 3kjx s LEU 249 N 0.64 2.04 -0.12 6.12 1.43 -0.59 0.10 118.68 128.30 3kjx s LEU 249 Ca -0.04 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3kjx s LEU 249 Cb -0.05 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 3kjx s LEU 249 CO -0.04 -0.01 -0.06 -0.47 0.23 0.00 0.00 176.35 176.00 3kjx s TYR 250 N 1.30 2.97 0.15 0.29 5.04 -0.00 -2.48 117.35 124.62 3kjx s TYR 250 Ca 0.04 -0.25 0.09 0.00 -2.44 0.00 0.00 57.07 54.51 3kjx s TYR 250 Cb -0.13 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.28 3kjx s TYR 250 CO -0.12 0.06 -0.12 0.71 -1.34 0.00 0.00 175.55 174.74 3kjx s TYR 251 N -0.02 2.62 0.27 4.97 2.02 -0.54 -4.18 117.35 122.49 3kjx s TYR 251 Ca -0.00 -0.22 0.25 0.00 -0.37 0.00 0.00 57.07 56.73 3kjx s TYR 251 Cb -0.13 -1.33 1.16 0.00 -0.40 0.00 0.00 41.96 41.25 3kjx s TYR 251 CO 0.03 0.46 1.94 0.66 -1.57 0.00 0.00 175.55 177.07 3kjx h SER 252 N 3.28 0.00 -5.12 2.29 4.64 -1.92 -3.37 113.55 113.35 3kjx h SER 252 Ca -0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 3kjx h SER 252 Cb 1.19 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.16 3kjx h SER 252 CO 0.51 0.19 -0.06 0.54 -0.87 0.00 0.00 176.83 177.14 3kjx s ASN 253 N -6.18 -0.20 0.00 4.97 2.20 -1.26 -4.37 114.94 110.10 3kjx s ASN 253 Ca -0.01 -0.51 0.00 0.00 -0.94 0.00 0.00 52.86 51.40 3kjx s ASN 253 Cb 0.12 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.89 3kjx s ASN 253 CO 0.61 -0.97 0.06 0.47 -2.94 0.00 0.00 177.10 174.33 3kjx n ASP 254 N -0.29 0.17 0.00 3.54 8.00 -0.72 -2.41 116.55 124.84 3kjx n ASP 254 Ca -0.11 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.22 3kjx n ASP 254 Cb 0.63 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3kjx n ASP 254 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3kjx n ILE 256 N 1.03 0.00 0.05 0.53 -5.35 -1.26 0.69 119.36 115.05 3kjx n ILE 256 Ca 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.43 3kjx n ILE 256 Cb 0.03 0.00 0.16 0.00 -1.74 0.00 0.00 39.64 38.09 3kjx n ILE 256 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kjx h ALA 257 N 0.00 0.96 -0.54 -1.28 0.00 -1.84 -1.53 119.26 115.04 3kjx h ALA 257 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3kjx h ALA 257 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kjx h ALA 257 CO 0.00 0.63 0.01 0.00 0.00 0.00 0.00 179.25 179.88 3kjx h ALA 258 N 1.23 0.98 -0.46 0.00 0.00 -0.01 0.15 119.26 121.15 3kjx h ALA 258 Ca 0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3kjx h ALA 258 Cb 0.89 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3kjx h ALA 258 CO 0.07 0.62 -0.02 0.78 0.00 0.00 0.00 179.25 180.71 3kjx h GLY 259 N 1.00 0.90 1.27 0.00 0.00 -1.67 -1.40 103.07 103.17 3kjx h GLY 259 Ca 0.16 -0.67 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 3kjx h GLY 259 CO 0.02 0.62 0.00 -1.33 0.00 0.00 0.00 176.54 175.85 3kjx h GLY 260 N 0.68 0.95 0.95 4.60 0.00 -0.89 -2.14 103.07 107.22 3kjx h GLY 260 Ca 0.13 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3kjx h GLY 260 CO 0.03 0.61 0.01 -2.00 0.00 0.00 0.00 176.54 175.19 3kjx h LEU 261 N 0.82 0.03 -1.42 3.11 5.85 -0.45 -1.62 115.31 121.63 3kjx h LEU 261 Ca 0.16 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3kjx h LEU 261 Cb 0.49 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3kjx h LEU 261 CO 0.02 0.07 0.12 -0.07 -0.34 0.00 0.00 178.44 178.24 3kjx h LEU 262 N -0.02 0.46 -0.39 2.25 3.38 -1.09 -1.16 115.31 118.75 3kjx h LEU 262 Ca 0.01 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3kjx h LEU 262 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kjx h LEU 262 CO -0.00 0.44 -0.38 0.22 0.09 0.00 0.00 178.44 178.81 3kjx h TYR 263 N 0.51 1.12 -0.16 1.13 3.20 -1.11 -1.61 116.97 120.06 3kjx h TYR 263 Ca 0.12 -0.34 -0.02 0.00 3.14 0.00 0.00 58.73 61.63 3kjx h TYR 263 Cb 0.14 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3kjx h TYR 263 CO 0.01 1.17 0.01 -0.07 -1.64 0.00 0.00 178.16 177.63 3kjx h LEU 264 N 0.76 0.28 -0.38 2.82 4.07 -0.72 -1.95 115.31 120.19 3kjx h LEU 264 Ca 0.06 -0.30 0.03 0.00 0.08 0.00 0.00 57.88 57.75 3kjx h LEU 264 Cb 0.97 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.61 3kjx h LEU 264 CO 0.09 0.50 0.20 -0.07 -1.08 0.00 0.00 178.44 178.09 3kjx h LEU 265 N 0.04 0.29 -2.14 1.67 3.38 -1.24 -0.95 115.31 116.36 3kjx h LEU 265 Ca 0.05 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3kjx h LEU 265 Cb 0.36 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kjx h LEU 265 CO 0.01 0.21 0.22 -0.08 0.09 0.00 0.00 178.44 178.89 3kjx h GLU 266 N 0.40 0.00 -0.01 1.13 4.81 -1.18 0.36 114.58 120.09 3kjx h GLU 266 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3kjx h GLU 266 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3kjx h GLU 266 CO -0.11 0.00 -0.28 1.04 -0.73 0.00 0.00 179.01 178.94 3kjx n GLN 267 N -4.02 0.78 -1.01 1.92 1.13 -0.43 -4.94 117.38 110.81 3kjx n GLN 267 Ca 0.03 -0.46 -0.00 0.00 -1.94 0.00 0.00 57.00 54.63 3kjx n GLN 267 Cb 0.36 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.22 3kjx n GLN 267 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kjx n GLY 268 N 1.35 0.39 3.77 1.08 0.00 0.13 -5.00 105.19 106.91 3kjx n GLY 268 Ca 0.12 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3kjx n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjx s ILE 269 N -1.76 3.07 -0.14 -0.61 1.01 -0.98 -4.97 121.20 116.82 3kjx s ILE 269 Ca 0.00 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.34 3kjx s ILE 269 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3kjx s ILE 269 CO 0.00 0.16 1.03 -0.62 0.00 0.00 0.00 174.94 175.52 3kjx s ASP 270 N -0.89 7.19 -0.17 3.58 2.15 -1.26 -4.58 116.67 122.68 3kjx s ASP 270 Ca 0.52 1.51 -0.01 0.00 0.43 0.00 0.00 52.55 55.01 3kjx s ASP 270 Cb -0.34 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.73 3kjx s ASP 270 CO 0.43 -0.53 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.15 3kjx s ILE 271 N 2.39 2.80 -2.00 4.11 -1.09 -1.26 0.15 121.20 126.30 3kjx s ILE 271 Ca 0.48 -0.71 0.16 0.00 -2.23 0.00 0.00 60.65 58.35 3kjx s ILE 271 Cb -0.18 -2.20 0.47 0.00 -1.58 0.00 0.00 42.46 38.97 3kjx s ILE 271 CO 0.15 0.50 1.39 -0.81 -1.23 0.00 0.00 174.94 174.94 3kjx n PRO 272 N 4.20 2.24 -0.26 2.79 -0.04 -1.26 -4.87 135.00 137.79 3kjx n PRO 272 Ca -0.19 -1.92 -0.06 0.00 -0.04 0.00 0.00 63.50 61.29 3kjx n PRO 272 Cb 0.51 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 3kjx n PRO 272 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3kjx h GLY 273 N 4.83 -0.32 0.15 0.55 0.00 -1.90 -3.12 103.07 103.27 3kjx h GLY 273 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 47.33 47.58 3kjx h GLY 273 CO 0.00 -0.16 -1.67 -0.18 0.00 0.00 0.00 176.54 174.54 3kjx n GLN 274 N -5.41 0.62 -4.16 4.80 7.27 0.12 -4.95 117.38 115.67 3kjx n GLN 274 Ca 0.04 0.44 -0.19 0.00 0.07 0.00 0.00 57.00 57.36 3kjx n GLN 274 Cb 0.35 -1.70 -0.16 0.00 2.41 0.00 0.00 30.24 31.15 3kjx n GLN 274 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3kjx s ILE 275 N -2.44 0.49 0.26 1.69 1.01 -0.84 -4.47 121.20 116.90 3kjx s ILE 275 Ca -0.29 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.28 3kjx s ILE 275 Cb 0.07 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 3kjx s ILE 275 CO 0.62 0.20 0.38 -0.83 0.00 0.00 0.00 174.94 175.31 3kjx s GLY 276 N 0.69 1.28 0.07 6.18 0.00 0.11 -4.15 107.32 111.50 3kjx s GLY 276 Ca -0.09 -1.26 -0.05 0.00 0.00 0.00 0.00 44.72 43.31 3kjx s GLY 276 CO 0.00 -1.27 0.09 1.08 0.00 0.00 0.00 173.10 173.01 3kjx s LEU 277 N -4.02 1.87 0.01 0.66 1.02 -0.91 -1.54 118.68 115.78 3kjx s LEU 277 Ca 0.36 -0.75 -0.24 0.00 0.02 0.00 0.00 54.13 53.52 3kjx s LEU 277 Cb -0.09 0.66 0.05 0.00 0.02 0.00 0.00 46.19 46.83 3kjx s LEU 277 CO 0.29 -0.64 0.54 0.00 0.02 0.00 0.00 176.35 176.56 3kjx s ALA 278 N -3.66 -1.38 0.00 4.21 0.00 -1.03 -3.95 121.76 115.95 3kjx s ALA 278 Ca 0.04 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.77 3kjx s ALA 278 Cb 0.05 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3kjx s ALA 278 CO -0.09 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3kjx n GLY 279 N 0.67 5.36 3.56 0.00 0.00 0.80 -1.47 105.19 114.11 3kjx n GLY 279 Ca -0.19 -1.34 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 3kjx n GLY 279 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kjx s PHE 280 N 2.01 -0.66 0.00 1.61 5.36 -1.26 -4.47 117.98 120.56 3kjx s PHE 280 Ca 0.00 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 3kjx s PHE 280 Cb 0.00 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 3kjx s PHE 280 CO 0.00 -0.51 0.00 0.09 -1.46 0.00 0.00 175.22 173.34 3kjx n ASN 281 N 1.45 0.00 -3.10 6.13 3.02 -1.26 -1.76 115.26 119.74 3kjx n ASN 281 Ca -0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.28 3kjx n ASN 281 Cb 0.56 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.78 3kjx n ASN 281 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3kjx n ASN 282 N 0.22 -6.64 -4.81 6.41 5.15 -1.26 -2.82 115.26 111.52 3kjx n ASN 282 Ca 0.00 -0.52 -0.37 0.00 -0.60 0.00 0.00 54.58 53.09 3kjx n ASN 282 Cb 0.00 -4.96 -0.06 0.00 -0.53 0.00 0.00 39.78 34.23 3kjx n ASN 282 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3kjx s VAL 283 N -3.28 4.50 0.18 3.44 -7.23 -1.26 -4.91 120.40 111.85 3kjx s VAL 283 Ca 0.33 1.41 -0.20 0.00 -1.81 0.00 0.00 61.98 61.71 3kjx s VAL 283 Cb -0.04 -3.92 0.13 0.00 0.56 0.00 0.00 36.38 33.11 3kjx s VAL 283 CO 0.70 0.25 1.60 -0.08 -0.31 0.00 0.00 175.10 177.25 3kjx h GLU 284 N 3.52 -0.15 -1.37 4.82 4.22 -2.02 -0.29 114.58 123.30 3kjx h GLU 284 Ca -0.48 0.01 0.40 0.00 0.08 0.00 0.00 59.36 59.37 3kjx h GLU 284 Cb 1.19 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 3kjx h GLU 284 CO 0.65 -0.10 0.98 1.25 -2.18 0.00 0.00 179.01 179.61 3kjx h LEU 285 N -0.16 0.01 -0.71 1.64 6.46 -2.00 0.62 115.31 121.17 3kjx h LEU 285 Ca 0.23 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 58.06 3kjx h LEU 285 Cb 0.53 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.40 3kjx h LEU 285 CO -0.62 -0.00 0.40 0.25 -0.62 0.00 0.00 178.44 177.85 3kjx h LEU 286 N 0.01 0.59 0.00 2.25 5.85 -1.44 -0.94 115.31 121.63 3kjx h LEU 286 Ca 0.65 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.41 3kjx h LEU 286 Cb 2.61 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 43.55 3kjx h LEU 286 CO -0.02 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.46 3kjx n GLN 287 N -4.77 0.38 -0.04 1.25 6.02 0.21 -2.93 117.38 117.50 3kjx n GLN 287 Ca 0.10 0.05 0.12 0.00 -0.01 0.00 0.00 57.00 57.26 3kjx n GLN 287 Cb 0.19 -1.50 0.43 0.00 1.02 0.00 0.00 30.24 30.38 3kjx n GLN 287 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kjx n GLY 288 N 0.73 0.25 3.94 1.08 0.00 -0.36 -4.93 105.19 105.91 3kjx n GLY 288 Ca 0.12 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 3kjx n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjx s LEU 289 N -1.79 3.22 0.22 0.99 1.43 -1.15 -4.97 118.68 116.63 3kjx s LEU 289 Ca 0.35 0.36 0.17 0.00 -1.03 0.00 0.00 54.13 53.98 3kjx s LEU 289 Cb 0.19 -3.17 0.85 0.00 0.03 0.00 0.00 46.19 44.10 3kjx s LEU 289 CO 0.30 -1.15 1.53 -0.81 0.23 0.00 0.00 176.35 176.45 3kjx n PRO 290 N -2.50 0.11 -3.87 1.29 -0.04 -1.26 -4.63 135.00 124.10 3kjx n PRO 290 Ca 0.06 0.53 -0.11 0.00 -0.04 0.00 0.00 63.50 63.93 3kjx n PRO 290 Cb 0.59 -1.81 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 3kjx n PRO 290 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kjx s ARG 291 N -3.34 0.36 -0.48 0.54 1.81 -1.26 -5.12 118.95 111.47 3kjx s ARG 291 Ca 0.00 -0.24 -0.19 0.00 -1.72 0.00 0.00 55.73 53.59 3kjx s ARG 291 Cb 0.06 0.15 0.05 0.00 -0.45 0.00 0.00 34.95 34.76 3kjx s ARG 291 CO 0.21 -0.08 0.57 0.15 -0.68 0.00 0.00 175.30 175.48 3kjx s LYS 292 N -0.93 3.13 0.24 3.54 1.02 -1.26 -4.88 119.74 120.59 3kjx s LYS 292 Ca -0.10 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 3kjx s LYS 292 Cb -0.06 -4.05 -0.09 0.00 -0.52 0.00 0.00 37.83 33.11 3kjx s LYS 292 CO 0.01 -1.10 1.05 -1.17 -0.92 0.00 0.00 175.35 173.21 3kjx s LEU 293 N 2.49 4.57 0.33 3.17 2.96 -1.26 0.29 118.68 131.23 3kjx s LEU 293 Ca 0.15 2.12 -0.29 0.00 -0.22 0.00 0.00 54.13 55.90 3kjx s LEU 293 Cb -0.18 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 42.79 3kjx s LEU 293 CO 0.13 -0.07 1.30 0.00 -1.32 0.00 0.00 176.35 176.40 3kjx s ALA 294 N -0.94 3.49 0.00 5.97 0.00 -1.25 -4.35 121.76 124.68 3kjx s ALA 294 Ca 0.45 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3kjx s ALA 294 Cb -0.29 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3kjx s ALA 294 CO 0.37 -0.64 0.00 -2.37 0.00 0.00 0.00 175.76 173.12 3kjx n THR 295 N 0.79 0.00 -4.73 0.00 5.66 -0.81 -0.14 114.28 115.05 3kjx n THR 295 Ca -0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 3kjx n THR 295 Cb 0.42 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.08 3kjx n THR 295 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3kjx s ASP 297 N 2.00 4.12 0.00 1.09 2.15 -1.26 -0.26 116.67 124.52 3kjx s ASP 297 Ca 0.00 -0.24 0.25 0.00 0.43 0.00 0.00 52.55 52.99 3kjx s ASP 297 Cb 0.00 -0.85 0.35 0.00 -0.30 0.00 0.00 42.92 42.12 3kjx s ASP 297 CO 0.00 0.31 1.34 0.00 -0.17 0.00 0.00 175.17 176.65 3kjx n ALA 298 N 1.94 2.64 -2.81 3.66 0.00 -1.13 -4.71 120.51 120.10 3kjx n ALA 298 Ca -0.16 -0.63 -0.22 0.00 0.00 0.00 0.00 53.44 52.43 3kjx n ALA 298 Cb 0.52 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 19.10 3kjx n ALA 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kjx h ARG 300 N -0.86 -0.36 -0.06 0.00 3.08 -1.92 0.12 114.38 114.39 3kjx h ARG 300 Ca -0.51 0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.58 3kjx h ARG 300 Cb 1.36 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 3kjx h ARG 300 CO 0.57 -0.24 -0.05 1.25 -1.07 0.00 0.00 179.97 180.43 3kjx h LEU 301 N -0.37 -0.16 -1.17 3.04 5.85 -1.91 -2.23 115.31 118.36 3kjx h LEU 301 Ca 0.12 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3kjx h LEU 301 Cb 0.56 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3kjx h LEU 301 CO -0.42 -0.07 0.06 -0.33 -0.34 0.00 0.00 178.44 177.33 3kjx h GLU 302 N -0.06 0.64 -0.55 1.25 3.07 -1.85 -1.05 114.58 116.02 3kjx h GLU 302 Ca 0.04 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.70 3kjx h GLU 302 Cb 0.13 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 3kjx h GLU 302 CO -0.10 0.61 0.07 0.82 -1.40 0.00 0.00 179.01 179.02 3kjx h ILE 303 N 0.62 1.26 -0.25 3.13 2.04 -0.49 -1.05 117.51 122.76 3kjx h ILE 303 Ca 0.14 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 3kjx h ILE 303 Cb 0.30 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3kjx h ILE 303 CO 0.00 0.36 -0.02 1.23 0.00 0.00 0.00 178.15 179.73 3kjx h GLY 304 N 0.82 0.48 0.45 5.37 0.00 -1.04 -1.63 103.07 107.52 3kjx h GLY 304 Ca 0.17 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.17 3kjx h GLY 304 CO 0.02 0.34 -0.16 3.21 0.00 0.00 0.00 176.54 179.95 3kjx h ARG 305 N 0.21 -0.18 -0.41 4.80 3.08 -1.05 -1.85 114.38 118.97 3kjx h ARG 305 Ca 0.07 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3kjx h ARG 305 Cb 0.44 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3kjx h ARG 305 CO 0.02 -0.12 -0.09 0.87 -1.07 0.00 0.00 179.97 179.57 3kjx h LYS 306 N -0.19 0.72 -0.57 0.04 1.57 -1.17 -1.14 116.57 115.83 3kjx h LYS 306 Ca 0.10 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 3kjx h LYS 306 Cb 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3kjx h LYS 306 CO -0.25 0.79 -0.01 0.00 -0.57 0.00 0.00 179.45 179.42 3kjx h ALA 307 N 1.24 0.76 -0.28 3.86 0.00 -1.11 -1.57 119.26 122.17 3kjx h ALA 307 Ca 0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3kjx h ALA 307 Cb 0.54 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kjx h ALA 307 CO 0.03 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 179.62 3kjx h ALA 308 N 0.97 1.03 -0.55 0.00 0.00 -1.09 -2.42 119.26 117.19 3kjx h ALA 308 Ca 0.16 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3kjx h ALA 308 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kjx h ALA 308 CO 0.03 0.58 0.06 0.93 0.00 0.00 0.00 179.25 180.85 3kjx h GLU 309 N 0.48 0.93 -0.16 0.00 5.08 -0.91 0.80 114.58 120.79 3kjx h GLU 309 Ca 0.07 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3kjx h GLU 309 Cb 0.71 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3kjx h GLU 309 CO 0.05 0.91 0.09 0.82 -1.00 0.00 0.00 179.01 179.89 3kjx h ILE 310 N 0.81 1.09 -0.35 3.13 2.04 -1.13 0.67 117.51 123.78 3kjx h ILE 310 Ca 0.16 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3kjx h ILE 310 Cb 0.46 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3kjx h ILE 310 CO 0.02 0.08 0.15 0.40 0.00 0.00 0.00 178.15 178.80 3kjx h ILE 311 N 0.17 1.18 -0.63 -0.67 2.04 -1.30 -1.24 117.51 117.06 3kjx h ILE 311 Ca 0.06 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.46 3kjx h ILE 311 Cb 0.05 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 3kjx h ILE 311 CO -0.01 0.19 0.30 0.00 0.00 0.00 0.00 178.15 178.63 3kjx h ALA 312 N 1.00 0.84 -0.16 1.87 0.00 -0.53 -2.53 119.26 119.75 3kjx h ALA 312 Ca 0.12 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3kjx h ALA 312 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kjx h ALA 312 CO -0.01 -0.08 -0.46 0.87 0.00 0.00 0.00 179.25 179.57 3kjx h LYS 313 N 0.54 0.59 -0.69 0.00 1.57 -0.71 -1.83 116.57 116.05 3kjx h LYS 313 Ca 0.30 -0.43 0.13 0.00 -1.87 0.00 0.00 60.65 58.79 3kjx h LYS 313 Cb 0.29 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.58 3kjx h LYS 313 CO -0.24 1.05 0.22 0.00 -0.57 0.00 0.00 179.45 179.90 3kjx h ARG 314 N 0.24 0.34 -0.07 3.15 2.47 -0.97 0.11 114.38 119.65 3kjx h ARG 314 Ca -0.01 -0.02 -0.19 0.00 -1.26 0.00 0.00 59.98 58.49 3kjx h ARG 314 Cb 1.09 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.33 3kjx h ARG 314 CO 0.10 0.22 -0.77 -0.07 0.56 0.00 0.00 179.97 180.02 3kjx h LEU 315 N 0.35 0.52 -1.83 3.04 4.07 -1.49 0.46 115.31 120.44 3kjx h LEU 315 Ca 0.37 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 3kjx h LEU 315 Cb 0.57 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 3kjx h LEU 315 CO -0.42 1.10 -0.09 -0.08 -1.08 0.00 0.00 178.44 177.88 3kjx h GLU 316 N 0.28 0.00 -0.10 1.13 4.81 -0.28 -3.40 114.58 117.03 3kjx h GLU 316 Ca -0.04 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3kjx h GLU 316 Cb 1.36 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.58 3kjx h GLU 316 CO 0.13 0.09 -0.08 0.34 -0.73 0.00 0.00 179.01 178.76 3kjx s ASP 317 N -5.87 -0.14 0.25 1.04 2.15 -0.11 -5.06 116.67 108.91 3kjx s ASP 317 Ca -0.01 -0.13 -0.13 0.00 0.43 0.00 0.00 52.55 52.70 3kjx s ASP 317 Cb 0.11 0.19 0.33 0.00 -0.30 0.00 0.00 42.92 43.25 3kjx s ASP 317 CO 0.55 -0.01 1.56 -0.65 -0.17 0.00 0.00 175.17 176.46 3kjx h PRO 318 N 4.50 -0.01 0.00 4.34 0.11 -1.09 0.13 132.00 139.98 3kjx h PRO 318 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3kjx h PRO 318 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kjx h PRO 318 CO -0.12 -0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.06 3kjx n GLU 319 N -5.54 0.32 -0.19 1.05 1.02 -1.26 -3.70 120.64 112.34 3kjx n GLU 319 Ca 0.12 0.06 0.17 0.00 -0.02 0.00 0.00 57.16 57.49 3kjx n GLU 319 Cb 0.44 -1.50 0.51 0.00 -0.02 0.00 0.00 31.44 30.87 3kjx n GLU 319 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kjx h ALA 320 N 3.12 2.15 -4.78 0.62 0.00 -1.09 -3.47 119.26 115.82 3kjx h ALA 320 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kjx h ALA 320 Cb 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kjx h ALA 320 CO 0.00 -0.38 -0.65 0.39 0.00 0.00 0.00 179.25 178.61 3kjx n GLU 321 N -4.48 -2.93 -3.89 0.00 1.02 -1.24 -5.06 120.64 104.05 3kjx n GLU 321 Ca 0.16 2.19 -0.21 0.00 -0.02 0.00 0.00 57.16 59.28 3kjx n GLU 321 Cb 0.59 -2.91 -0.05 0.00 -0.02 0.00 0.00 31.44 29.04 3kjx n GLU 321 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kjx n ILE 322 N 1.98 0.00 -1.75 -3.67 2.08 -1.26 -5.09 119.36 111.66 3kjx n ILE 322 Ca -0.08 -1.84 -0.43 0.00 0.56 0.00 0.00 62.75 60.97 3kjx n ILE 322 Cb 0.12 0.60 -0.03 0.00 -0.75 0.00 0.00 39.64 39.58 3kjx n ILE 322 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3kjx s GLU 323 N -3.24 3.38 -0.23 0.38 2.12 -1.26 -4.88 118.70 114.98 3kjx s GLU 323 Ca 0.13 1.96 -0.11 0.00 0.36 0.00 0.00 54.97 57.31 3kjx s GLU 323 Cb 0.01 -4.27 -0.17 0.00 0.26 0.00 0.00 34.13 29.95 3kjx s GLU 323 CO 0.09 -1.81 -0.07 0.25 -0.54 0.00 0.00 175.26 173.18 3kjx n THR 324 N 7.23 1.56 -3.31 -1.70 -2.24 -1.26 -4.88 114.28 109.69 3kjx n THR 324 Ca 0.26 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 3kjx n THR 324 Cb 0.45 -1.78 -0.08 0.00 -2.10 0.00 0.00 70.33 66.81 3kjx n THR 324 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kjx s ARG 325 N -2.49 3.62 -0.07 -0.78 0.52 -1.26 -4.58 118.95 113.91 3kjx s ARG 325 Ca -0.33 -0.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 3kjx s ARG 325 Cb 0.10 -3.80 0.00 0.00 0.52 0.00 0.00 34.95 31.78 3kjx s ARG 325 CO 0.59 -0.58 -0.17 0.42 0.02 0.00 0.00 175.30 175.58 3kjx s ILE 326 N 2.23 1.47 -0.16 1.52 1.01 -1.26 -5.03 121.20 120.98 3kjx s ILE 326 Ca 0.16 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.12 3kjx s ILE 326 Cb -0.16 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.04 3kjx s ILE 326 CO 0.12 0.43 -0.17 -0.89 0.00 0.00 0.00 174.94 174.43 3kjx s THR 327 N 0.38 1.81 0.25 2.92 2.01 -1.26 -2.12 115.64 119.63 3kjx s THR 327 Ca -0.12 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 3kjx s THR 327 Cb -0.15 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 3kjx s THR 327 CO 0.05 0.50 0.48 -0.76 -0.69 0.00 0.00 174.62 174.19 3kjx s LEU 328 N 1.36 4.13 -0.50 4.42 1.43 -0.18 -4.99 118.68 124.35 3kjx s LEU 328 Ca 0.04 0.55 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3kjx s LEU 328 Cb -0.13 -3.34 0.16 0.00 0.03 0.00 0.00 46.19 42.90 3kjx s LEU 328 CO -0.11 -0.13 0.35 -0.70 0.23 0.00 0.00 176.35 175.98 3kjx s GLU 329 N -3.51 1.42 0.93 1.70 2.12 -1.26 -4.39 118.70 115.70 3kjx s GLU 329 Ca 0.41 -2.38 -0.11 0.00 0.36 0.00 0.00 54.97 53.25 3kjx s GLU 329 Cb -0.11 -2.21 0.15 0.00 0.26 0.00 0.00 34.13 32.22 3kjx s GLU 329 CO 0.30 -1.29 1.11 -1.25 -0.54 0.00 0.00 175.26 173.59 3kjx s PRO 330 N -0.23 0.96 0.23 4.30 0.04 -1.26 -5.06 135.00 133.98 3kjx s PRO 330 Ca 0.26 1.28 0.10 0.00 0.04 0.00 0.00 61.00 62.67 3kjx s PRO 330 Cb -0.07 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 3kjx s PRO 330 CO -0.12 -2.58 -0.06 0.15 0.04 0.00 0.00 177.00 174.42 3kjx s LYS 331 N -4.70 2.13 0.08 4.56 -0.14 -1.26 -5.00 119.74 115.41 3kjx s LYS 331 Ca 0.66 -1.39 -0.31 0.00 -1.36 0.00 0.00 55.97 53.57 3kjx s LYS 331 Cb -0.21 -2.12 -0.06 0.00 -1.68 0.00 0.00 37.83 33.75 3kjx s LYS 331 CO 0.59 0.39 1.21 0.42 -0.76 0.00 0.00 175.35 177.20 3kjx s ILE 332 N -2.09 3.92 -0.70 2.17 1.01 -1.26 -4.17 121.20 120.08 3kjx s ILE 332 Ca 0.29 1.40 -0.16 0.00 0.00 0.00 0.00 60.65 62.18 3kjx s ILE 332 Cb -0.07 -3.90 0.16 0.00 0.01 0.00 0.00 42.46 38.66 3kjx s ILE 332 CO 0.17 0.12 0.71 -0.44 0.00 0.00 0.00 174.94 175.51 3kjx s SER 333 N 0.95 6.45 0.52 3.58 0.01 0.65 -4.99 113.70 120.86 3kjx s SER 333 Ca 0.58 -2.08 -0.21 0.00 1.31 0.00 0.00 55.95 55.55 3kjx s SER 333 Cb -0.30 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 3kjx s SER 333 CO 0.30 -0.83 1.19 -0.31 0.41 0.00 0.00 173.24 174.00 3kjx s TYR 334 N 1.40 2.65 0.00 2.43 2.02 -1.26 -1.93 117.35 122.65 3kjx s TYR 334 Ca 0.13 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.35 3kjx s TYR 334 Cb -0.19 -3.43 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 3kjx s TYR 334 CO -0.02 -1.85 0.00 0.41 -1.57 0.00 0.00 175.55 172.52 3kjx n GLY 335 N 0.42 1.02 0.16 0.71 0.00 -1.25 -4.85 105.19 101.40 3kjx n GLY 335 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kjx n GLY 335 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kjx n ASP 336 N 0.00 0.01 0.00 1.61 5.68 0.15 -4.78 116.55 119.22 3kjx n ASP 336 Ca 0.00 -1.32 0.10 0.00 -0.50 0.00 0.00 54.79 53.07 3kjx n ASP 336 Cb 0.00 -0.06 -0.10 0.00 -1.14 0.00 0.00 41.12 39.82 3kjx n ASP 336 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3kjx n THR 337 N -0.00 0.02 -4.26 2.12 5.66 -1.18 -4.02 114.28 112.61 3kjx n THR 337 Ca 0.00 -0.15 -0.20 0.00 -3.05 0.00 0.00 64.05 60.65 3kjx n THR 337 Cb 0.56 0.63 -0.12 0.00 -1.55 0.00 0.00 70.33 69.86 3kjx n THR 337 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3kjx s LEU 338 N -3.47 2.36 0.01 1.09 0.20 -1.26 -2.15 118.68 115.46 3kjx s LEU 338 Ca 0.04 -0.75 0.00 0.00 0.69 0.00 0.00 54.13 54.11 3kjx s LEU 338 Cb 0.15 -0.69 0.00 0.00 -0.43 0.00 0.00 46.19 45.22 3kjx s LEU 338 CO 0.86 -0.05 0.00 0.29 -0.29 0.00 0.00 176.35 177.16 3kjx n LYS 339 N 0.77 -0.39 0.00 1.98 5.02 -1.26 -4.69 118.16 119.59 3kjx n LYS 339 Ca -0.17 0.74 0.08 0.00 -2.02 0.00 0.00 58.31 56.94 3kjx n LYS 339 Cb 0.56 -0.37 0.07 0.00 -0.02 0.00 0.00 35.03 35.26 3kjx n LYS 339 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42