#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjm s TRP 34 N 0.00 3.13 0.68 6.00 0.52 -1.26 -5.08 118.94 122.93 3kjm s TRP 34 Ca 0.00 0.10 -0.16 0.00 0.02 0.00 0.00 56.10 56.06 3kjm s TRP 34 Cb 0.00 -1.83 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 3kjm s TRP 34 CO 0.00 0.36 1.17 -2.14 0.02 0.00 0.00 176.95 176.36 3kjm s PRO 35 N -0.61 2.54 0.36 4.98 0.02 -1.26 -4.86 135.00 136.17 3kjm s PRO 35 Ca 0.10 1.63 0.06 0.00 0.02 0.00 0.00 61.00 62.81 3kjm s PRO 35 Cb -0.12 -1.90 0.69 0.00 0.02 0.00 0.00 34.50 33.19 3kjm s PRO 35 CO 0.02 -1.49 1.91 0.00 -0.33 0.00 0.00 177.00 177.11 3kjm h ALA 36 N 0.05 1.45 0.00 -1.55 0.00 -1.99 -1.72 119.26 115.50 3kjm h ALA 36 Ca -0.48 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 3kjm h ALA 36 Cb 1.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3kjm h ALA 36 CO 0.52 0.39 -0.65 0.66 0.00 0.00 0.00 179.25 180.18 3kjm h SER 37 N 0.44 0.00 -0.06 0.00 4.64 -1.94 -2.71 113.55 113.93 3kjm h SER 37 Ca 0.10 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.28 3kjm h SER 37 Cb 0.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3kjm h SER 37 CO 0.01 0.65 -0.50 0.25 -0.87 0.00 0.00 176.83 176.36 3kjm h LEU 38 N 0.00 0.54 -1.30 5.97 5.85 -1.66 -3.28 115.31 121.44 3kjm h LEU 38 Ca -0.01 -0.69 -0.07 0.00 0.84 0.00 0.00 57.88 57.95 3kjm h LEU 38 Cb 1.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3kjm h LEU 38 CO 0.08 1.15 -0.34 0.00 -0.34 0.00 0.00 178.44 178.99 3kjm h ALA 39 N 0.41 1.42 -0.37 1.25 0.00 -1.38 -2.63 119.26 117.96 3kjm h ALA 39 Ca -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3kjm h ALA 39 Cb 1.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3kjm h ALA 39 CO 0.10 0.43 0.16 0.00 0.00 0.00 0.00 179.25 179.95 3kjm h ALA 40 N 1.64 1.59 -0.42 0.00 0.00 -1.54 0.05 119.26 120.58 3kjm h ALA 40 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3kjm h ALA 40 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kjm h ALA 40 CO 0.04 0.33 -0.21 -0.07 0.00 0.00 0.00 179.25 179.35 3kjm h LEU 41 N 0.52 0.84 -0.78 0.00 3.38 -1.52 0.17 115.31 117.93 3kjm h LEU 41 Ca 0.13 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 3kjm h LEU 41 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3kjm h LEU 41 CO -0.02 1.03 -0.28 0.00 0.09 0.00 0.00 178.44 179.26 3kjm h ALA 42 N 1.04 0.95 -0.44 1.53 0.00 -1.41 0.48 119.26 121.40 3kjm h ALA 42 Ca 0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 3kjm h ALA 42 Cb 0.73 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kjm h ALA 42 CO 0.06 0.61 -0.25 1.25 0.00 0.00 0.00 179.25 180.91 3kjm h LEU 43 N 0.52 0.99 -0.07 0.00 5.85 -0.57 -2.91 115.31 119.12 3kjm h LEU 43 Ca 0.07 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3kjm h LEU 43 Cb 0.76 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3kjm h LEU 43 CO 0.06 1.19 0.00 0.47 -0.34 0.00 0.00 178.44 179.82 3kjm n ASP 44 N -4.13 0.10 -0.12 1.25 9.92 0.57 -4.88 116.55 119.27 3kjm n ASP 44 Ca -0.01 -1.39 -0.02 0.00 -0.53 0.00 0.00 54.79 52.85 3kjm n ASP 44 Cb 0.47 -0.01 -0.01 0.00 -0.64 0.00 0.00 41.12 40.94 3kjm n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kjm n GLY 45 N 0.84 0.48 0.09 0.44 0.00 -1.10 -4.91 105.19 101.03 3kjm n GLY 45 Ca 0.15 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3kjm n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kjm h LYS 46 N 0.53 0.11 -4.60 1.61 1.57 -1.16 -3.42 116.57 111.21 3kjm h LYS 46 Ca -0.03 -0.17 -0.70 0.00 -1.87 0.00 0.00 60.65 57.88 3kjm h LYS 46 Cb 0.32 0.06 -0.22 0.00 0.08 0.00 0.00 32.23 32.46 3kjm h LYS 46 CO 0.05 1.03 -0.49 -1.17 -0.57 0.00 0.00 179.45 178.30 3kjm s LEU 47 N -7.02 4.75 0.05 2.94 2.96 -0.86 0.00 118.68 121.49 3kjm s LEU 47 Ca -0.01 -0.84 0.09 0.00 -0.22 0.00 0.00 54.13 53.15 3kjm s LEU 47 Cb 0.09 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3kjm s LEU 47 CO 0.84 -0.36 -0.26 -0.13 -1.32 0.00 0.00 176.35 175.11 3kjm s ARG 48 N 1.62 1.74 0.00 1.98 0.52 0.09 -4.65 118.95 120.26 3kjm s ARG 48 Ca 0.04 -1.10 0.01 0.00 -0.52 0.00 0.00 55.73 54.16 3kjm s ARG 48 Cb -0.19 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.37 3kjm s ARG 48 CO 0.08 0.49 0.41 0.25 0.02 0.00 0.00 175.30 176.56 3kjm n THR 49 N 1.76 0.00 -1.82 0.02 -2.24 -1.26 -0.69 114.28 110.06 3kjm n THR 49 Ca -0.17 -0.49 -0.38 0.00 -2.27 0.00 0.00 64.05 60.74 3kjm n THR 49 Cb 0.52 1.02 0.05 0.00 -2.10 0.00 0.00 70.33 69.82 3kjm n THR 49 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kjm s ASP 50 N -0.37 5.12 0.55 3.42 -4.77 -1.26 -4.74 116.67 114.62 3kjm s ASP 50 Ca 0.01 2.67 0.28 0.00 -3.30 0.00 0.00 52.55 52.21 3kjm s ASP 50 Cb 0.01 -2.63 1.46 0.00 -1.09 0.00 0.00 42.92 40.67 3kjm s ASP 50 CO 0.03 -1.66 1.96 0.77 0.70 0.00 0.00 175.17 176.96 3kjm h SER 51 N 1.18 0.00 0.04 2.11 4.64 -1.99 -1.66 113.55 117.87 3kjm h SER 51 Ca -0.51 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3kjm h SER 51 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3kjm h SER 51 CO 0.56 0.00 -0.02 0.78 -0.87 0.00 0.00 176.83 177.28 3kjm h ASN 52 N 0.00 -0.05 0.11 4.97 4.21 -2.00 -2.42 115.58 120.41 3kjm h ASN 52 Ca 0.27 -0.37 -0.01 0.00 1.21 0.00 0.00 56.30 57.40 3kjm h ASN 52 Cb 1.16 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 3kjm h ASN 52 CO -0.00 0.35 -0.05 0.00 -1.29 0.00 0.00 177.43 176.43 3kjm h ALA 53 N 0.48 -0.15 -0.46 -0.83 0.00 -1.68 -2.71 119.26 113.91 3kjm h ALA 53 Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kjm h ALA 53 Cb 0.41 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3kjm h ALA 53 CO 0.01 -0.51 0.08 1.79 0.00 0.00 0.00 179.25 180.62 3kjm h THR 54 N -0.30 1.21 -0.17 0.00 1.35 -1.52 -2.86 112.91 110.62 3kjm h THR 54 Ca -0.02 -0.78 -0.02 0.00 -0.55 0.00 0.00 66.41 65.04 3kjm h THR 54 Cb 0.24 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 3kjm h THR 54 CO 0.03 0.28 0.01 0.00 -0.25 0.00 0.00 175.52 175.59 3kjm h ALA 55 N 1.42 0.23 0.00 6.62 0.00 -1.42 -2.90 119.26 123.21 3kjm h ALA 55 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kjm h ALA 55 Cb 0.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kjm h ALA 55 CO 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 179.25 179.14 3kjm h ALA 56 N 0.80 1.64 -0.65 0.00 0.00 -1.35 -1.62 119.26 118.07 3kjm h ALA 56 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kjm h ALA 56 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kjm h ALA 56 CO 0.01 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3kjm n ALA 57 N -2.39 2.83 0.47 0.00 0.00 -1.09 -4.35 120.51 115.97 3kjm n ALA 57 Ca -0.03 -1.41 0.05 0.00 0.00 0.00 0.00 53.44 52.05 3kjm n ALA 57 Cb 0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 3kjm n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kjm n SER 58 N 1.25 0.73 -4.48 0.00 3.41 -0.61 -4.74 113.62 109.18 3kjm n SER 58 Ca 0.24 -0.86 -0.24 0.00 -0.26 0.00 0.00 58.87 57.75 3kjm n SER 58 Cb 0.76 0.82 -0.10 0.00 -0.26 0.00 0.00 64.21 65.43 3kjm n SER 58 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kjm s THR 59 N -1.75 2.42 0.28 6.66 -4.23 -1.25 -1.49 115.64 116.28 3kjm s THR 59 Ca 0.05 -2.37 0.06 0.00 -1.18 0.00 0.00 61.69 58.25 3kjm s THR 59 Cb 0.08 -2.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 3kjm s THR 59 CO 0.36 -0.37 0.21 -0.90 -0.54 0.00 0.00 174.62 173.38 3kjm n ASP 60 N -0.65 -0.25 -0.19 3.99 5.68 -1.26 -5.00 116.55 118.88 3kjm n ASP 60 Ca -0.05 -2.75 0.08 0.00 -0.50 0.00 0.00 54.79 51.56 3kjm n ASP 60 Cb 0.61 1.25 0.37 0.00 -1.14 0.00 0.00 41.12 42.20 3kjm n ASP 60 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3kjm h PHE 61 N 1.80 0.75 -0.81 2.11 3.57 -0.96 -1.57 116.94 121.82 3kjm h PHE 61 Ca -0.20 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.37 3kjm h PHE 61 Cb 0.96 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 3kjm h PHE 61 CO 0.00 0.38 0.53 0.78 -2.23 0.00 0.00 178.31 177.77 3kjm h GLY 62 N 0.72 1.14 -4.40 2.40 0.00 -1.59 -3.40 103.07 97.94 3kjm h GLY 62 Ca 0.33 -0.37 -0.41 0.00 0.00 0.00 0.00 47.33 46.88 3kjm h GLY 62 CO -0.12 0.29 -0.60 -2.01 0.00 0.00 0.00 176.54 174.11 3kjm n ASN 63 N -4.47 -6.02 -0.02 0.19 4.05 -0.59 -0.77 115.26 107.63 3kjm n ASN 63 Ca 0.11 -0.27 -0.03 0.00 0.45 0.00 0.00 54.58 54.85 3kjm n ASN 63 Cb 0.17 -4.88 -0.01 0.00 1.23 0.00 0.00 39.78 36.29 3kjm n ASN 63 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 3kjm n ILE 64 N -4.45 0.17 -4.30 -1.44 5.41 -1.26 -4.48 119.36 109.01 3kjm n ILE 64 Ca -0.12 -0.05 -0.29 0.00 1.00 0.00 0.00 62.75 63.28 3kjm n ILE 64 Cb 0.62 -1.10 -0.11 0.00 -0.71 0.00 0.00 39.64 38.34 3kjm n ILE 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3kjm s THR 65 N -2.06 2.91 0.02 1.39 -1.32 -1.26 -5.14 115.64 110.18 3kjm s THR 65 Ca -0.04 -1.51 0.01 0.00 -1.21 0.00 0.00 61.69 58.94 3kjm s THR 65 Cb 0.01 -2.35 -0.02 0.00 -1.51 0.00 0.00 72.50 68.64 3kjm s THR 65 CO 0.06 0.08 -0.04 -0.94 -2.21 0.00 0.00 174.62 171.57 3kjm s SER 66 N -2.22 0.43 -0.25 8.08 1.04 -1.26 -4.44 113.70 115.08 3kjm s SER 66 Ca 0.19 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.13 3kjm s SER 66 Cb -0.10 0.06 0.13 0.00 0.10 0.00 0.00 66.02 66.21 3kjm s SER 66 CO 0.11 -0.22 0.46 0.00 0.98 0.00 0.00 173.24 174.57 3kjm s ALA 67 N -1.22 -1.44 0.08 5.32 0.00 -0.55 -5.04 121.76 118.91 3kjm s ALA 67 Ca -0.12 1.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 3kjm s ALA 67 Cb -0.09 -1.68 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 3kjm s ALA 67 CO -0.00 -1.10 1.34 -0.51 0.00 0.00 0.00 175.76 175.49 3kjm s LEU 68 N 2.66 4.36 0.75 0.00 1.43 -1.26 -4.39 118.68 122.24 3kjm s LEU 68 Ca 0.08 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.29 3kjm s LEU 68 Cb -0.14 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.55 3kjm s LEU 68 CO -0.16 -0.62 1.12 -2.16 0.23 0.00 0.00 176.35 174.76 3kjm s PRO 69 N 1.29 2.33 0.09 1.29 0.04 -1.25 -1.26 135.00 137.53 3kjm s PRO 69 Ca 0.63 0.19 -0.02 0.00 0.04 0.00 0.00 61.00 61.84 3kjm s PRO 69 Cb -0.34 -2.01 -0.26 0.00 0.04 0.00 0.00 34.50 31.93 3kjm s PRO 69 CO 0.29 -1.33 1.18 0.00 0.04 0.00 0.00 177.00 177.18 3kjm h ALA 70 N -0.84 0.16 -2.63 8.56 0.00 -0.55 -3.43 119.26 120.53 3kjm h ALA 70 Ca -0.45 -0.89 -0.07 0.00 0.00 0.00 0.00 54.91 53.50 3kjm h ALA 70 Cb 1.30 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 3kjm h ALA 70 CO 0.64 1.03 -0.21 0.00 0.00 0.00 0.00 179.25 180.72 3kjm s ALA 71 N -2.69 -0.62 -0.08 0.00 0.00 -0.35 -4.63 121.76 113.39 3kjm s ALA 71 Ca -0.03 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.70 3kjm s ALA 71 Cb 0.08 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.77 3kjm s ALA 71 CO 0.87 -0.57 -0.18 0.08 0.00 0.00 0.00 175.76 175.96 3kjm s VAL 72 N -3.70 1.60 -0.18 0.00 1.01 0.14 -1.57 120.40 117.69 3kjm s VAL 72 Ca 0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 3kjm s VAL 72 Cb 0.03 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3kjm s VAL 72 CO -0.11 0.46 0.16 -0.22 0.00 0.00 0.00 175.10 175.39 3kjm s LEU 73 N 0.44 4.24 -0.71 3.92 2.96 -0.02 -0.73 118.68 128.78 3kjm s LEU 73 Ca -0.15 0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 3kjm s LEU 73 Cb -0.16 -2.14 0.18 0.00 0.50 0.00 0.00 46.19 44.56 3kjm s LEU 73 CO 0.06 0.19 0.53 -0.31 -1.32 0.00 0.00 176.35 175.51 3kjm s TYR 74 N 0.20 3.56 0.26 5.38 2.02 0.10 -0.54 117.35 128.33 3kjm s TYR 74 Ca 0.10 -2.99 -0.29 0.00 -0.37 0.00 0.00 57.07 53.52 3kjm s TYR 74 Cb -0.12 -3.07 -0.09 0.00 -0.40 0.00 0.00 41.96 38.28 3kjm s TYR 74 CO -0.00 -0.74 1.14 -1.25 -1.57 0.00 0.00 175.55 173.13 3kjm s PRO 75 N -0.76 4.58 0.05 -1.71 0.04 -1.26 -4.75 135.00 131.18 3kjm s PRO 75 Ca 0.22 1.86 0.21 0.00 0.04 0.00 0.00 61.00 63.33 3kjm s PRO 75 Cb -0.14 -3.19 -0.18 0.00 0.04 0.00 0.00 34.50 31.03 3kjm s PRO 75 CO -0.08 0.10 0.70 -1.13 0.04 0.00 0.00 177.00 176.63 3kjm n SER 76 N 1.46 0.45 -3.91 6.66 3.41 -1.26 -2.97 113.62 117.45 3kjm n SER 76 Ca 0.00 0.18 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3kjm n SER 76 Cb 0.44 1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 65.37 3kjm n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kjm s SER 77 N -5.13 0.18 0.52 4.04 1.04 -1.26 -4.78 113.70 108.32 3kjm s SER 77 Ca -0.05 -1.17 0.27 0.00 0.48 0.00 0.00 55.95 55.49 3kjm s SER 77 Cb 0.11 0.54 1.45 0.00 0.10 0.00 0.00 66.02 68.22 3kjm s SER 77 CO 0.84 -1.09 2.07 0.71 0.98 0.00 0.00 173.24 176.76 3kjm h THR 78 N 2.33 0.56 -0.56 2.02 1.35 -1.96 -2.54 112.91 114.10 3kjm h THR 78 Ca -0.29 -0.52 0.03 0.00 -0.55 0.00 0.00 66.41 65.08 3kjm h THR 78 Cb 1.25 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 68.98 3kjm h THR 78 CO 0.41 0.11 0.37 0.00 -0.25 0.00 0.00 175.52 176.16 3kjm h ALA 79 N 1.89 1.71 -0.21 6.62 0.00 -1.99 -1.35 119.26 125.93 3kjm h ALA 79 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3kjm h ALA 79 Cb 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kjm h ALA 79 CO 0.01 0.23 -0.08 -0.44 0.00 0.00 0.00 179.25 178.98 3kjm h ASP 80 N 0.65 0.30 -0.06 0.00 3.32 -1.87 0.10 116.42 118.86 3kjm h ASP 80 Ca 0.22 -0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.98 3kjm h ASP 80 Cb 0.08 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 39.57 3kjm h ASP 80 CO -0.06 0.43 -0.89 -0.07 -1.72 0.00 0.00 179.24 176.92 3kjm h LEU 81 N 0.31 0.89 -0.33 1.55 3.38 -1.40 -2.38 115.31 117.33 3kjm h LEU 81 Ca 0.07 -0.70 0.06 0.00 0.09 0.00 0.00 57.88 57.39 3kjm h LEU 81 Cb 0.34 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3kjm h LEU 81 CO 0.02 1.46 0.01 0.58 0.09 0.00 0.00 178.44 180.60 3kjm h VAL 82 N 0.40 0.78 -0.41 1.22 2.07 -1.01 -1.79 116.25 117.50 3kjm h VAL 82 Ca -0.09 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3kjm h VAL 82 Cb 1.54 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3kjm h VAL 82 CO 0.18 0.02 0.22 0.00 0.02 0.00 0.00 177.57 178.00 3kjm h ALA 83 N 1.27 0.52 -0.19 1.67 0.00 -0.95 0.21 119.26 121.79 3kjm h ALA 83 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kjm h ALA 83 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kjm h ALA 83 CO -0.25 -0.14 0.09 1.25 0.00 0.00 0.00 179.25 180.21 3kjm h LEU 84 N 0.44 0.25 -0.35 0.00 5.85 -1.29 -2.25 115.31 117.95 3kjm h LEU 84 Ca 0.17 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 3kjm h LEU 84 Cb 0.06 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3kjm h LEU 84 CO -0.11 0.30 -0.83 -0.07 -0.34 0.00 0.00 178.44 177.39 3kjm h LEU 85 N 0.18 0.02 -0.39 2.25 3.38 -1.13 -1.76 115.31 117.86 3kjm h LEU 85 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3kjm h LEU 85 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kjm h LEU 85 CO -0.01 0.84 0.03 0.28 0.09 0.00 0.00 178.44 179.67 3kjm h SER 86 N 0.01 0.64 -0.40 -0.43 0.02 -0.61 -1.75 113.55 111.03 3kjm h SER 86 Ca -0.01 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3kjm h SER 86 Cb 1.46 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 3kjm h SER 86 CO 0.11 0.77 0.23 0.00 -1.14 0.00 0.00 176.83 176.80 3kjm h ALA 87 N 0.90 0.50 -0.85 3.77 0.00 -1.32 0.16 119.26 122.42 3kjm h ALA 87 Ca 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kjm h ALA 87 Cb 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3kjm h ALA 87 CO 0.01 -0.11 0.55 0.00 0.00 0.00 0.00 179.25 179.71 3kjm h ALA 88 N 1.18 1.11 0.07 0.00 0.00 -1.23 -2.65 119.26 117.74 3kjm h ALA 88 Ca 0.16 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 3kjm h ALA 88 Cb 0.01 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kjm h ALA 88 CO -0.08 0.40 -1.12 -0.97 0.00 0.00 0.00 179.25 177.48 3kjm h ASN 89 N 1.07 0.64 -2.03 0.00 -0.00 -0.99 -3.33 115.58 110.94 3kjm h ASN 89 Ca 0.34 -0.57 -0.75 0.00 -0.00 0.00 0.00 56.30 55.32 3kjm h ASN 89 Cb -0.01 -0.20 -0.30 0.00 -0.00 0.00 0.00 38.32 37.81 3kjm h ASN 89 CO -0.11 1.39 0.72 -1.54 -0.00 0.00 0.00 177.43 177.90 3kjm n SER 90 N -3.72 6.94 -3.29 1.15 3.41 0.54 -4.80 113.62 113.86 3kjm n SER 90 Ca -0.10 -3.77 -0.06 0.00 -0.26 0.00 0.00 58.87 54.68 3kjm n SER 90 Cb 0.93 -0.99 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 3kjm n SER 90 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3kjm s THR 91 N -4.90 -0.70 0.22 6.66 2.01 -1.01 -4.84 115.64 113.07 3kjm s THR 91 Ca 0.48 -0.15 -0.31 0.00 0.31 0.00 0.00 61.69 62.02 3kjm s THR 91 Cb 0.36 -0.93 -0.11 0.00 0.01 0.00 0.00 72.50 71.83 3kjm s THR 91 CO -0.29 -0.17 1.56 -2.84 -0.69 0.00 0.00 174.62 172.19 3kjm s PRO 92 N 2.61 4.20 0.00 4.92 0.02 -1.26 -2.51 135.00 142.98 3kjm s PRO 92 Ca 0.12 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3kjm s PRO 92 Cb -0.14 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3kjm s PRO 92 CO -0.24 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 3kjm n GLY 93 N 3.06 0.75 3.55 0.52 0.00 -1.26 -4.99 105.19 106.82 3kjm n GLY 93 Ca 0.11 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.57 3kjm n GLY 93 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3kjm n TRP 94 N -2.43 1.75 0.53 1.61 -0.00 -1.05 -4.85 117.44 113.00 3kjm n TRP 94 Ca 0.00 0.49 0.12 0.00 -0.00 0.00 0.00 57.50 58.11 3kjm n TRP 94 Cb 0.00 -2.45 0.18 0.00 -0.00 0.00 0.00 31.31 29.04 3kjm n TRP 94 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3kjm n PRO 95 N 6.70 2.46 -3.59 5.87 -0.04 -1.26 -4.94 135.00 140.21 3kjm n PRO 95 Ca 0.36 -2.18 -0.39 0.00 -0.04 0.00 0.00 63.50 61.25 3kjm n PRO 95 Cb 0.13 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 3kjm n PRO 95 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kjm s TYR 96 N -1.65 3.21 0.44 0.54 2.02 -1.26 -4.94 117.35 115.70 3kjm s TYR 96 Ca 0.36 -0.34 -0.22 0.00 -0.37 0.00 0.00 57.07 56.50 3kjm s TYR 96 Cb 0.22 -2.42 -0.09 0.00 -0.40 0.00 0.00 41.96 39.27 3kjm s TYR 96 CO 0.31 -0.39 1.03 0.95 -1.57 0.00 0.00 175.55 175.89 3kjm s THR 97 N 1.68 3.84 -0.10 -0.71 -4.23 -1.26 -4.77 115.64 110.08 3kjm s THR 97 Ca 0.06 1.25 0.03 0.00 -1.18 0.00 0.00 61.69 61.84 3kjm s THR 97 Cb -0.17 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.11 3kjm s THR 97 CO 0.09 -0.14 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.20 3kjm s ILE 98 N -1.87 1.72 0.14 2.99 1.01 0.26 -0.63 121.20 124.82 3kjm s ILE 98 Ca 0.63 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 60.58 3kjm s ILE 98 Cb -0.18 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3kjm s ILE 98 CO 0.22 0.48 -0.23 0.00 0.00 0.00 0.00 174.94 175.42 3kjm s ALA 99 N 0.65 2.53 -0.54 9.38 0.00 -0.81 0.37 121.76 133.33 3kjm s ALA 99 Ca -0.13 -1.46 -0.06 0.00 0.00 0.00 0.00 51.96 50.31 3kjm s ALA 99 Cb -0.16 -0.47 0.14 0.00 0.00 0.00 0.00 23.12 22.62 3kjm s ALA 99 CO 0.03 0.54 0.39 -0.06 0.00 0.00 0.00 175.76 176.65 3kjm s PHE 100 N -1.22 3.49 -0.38 0.00 0.08 -1.26 -0.23 117.98 118.47 3kjm s PHE 100 Ca 0.17 -2.31 -0.29 0.00 0.12 0.00 0.00 56.93 54.62 3kjm s PHE 100 Cb -0.10 -3.36 0.01 0.00 -0.57 0.00 0.00 43.02 39.00 3kjm s PHE 100 CO 0.08 -0.94 1.24 0.50 -0.10 0.00 0.00 175.22 176.01 3kjm s ARG 101 N 0.70 3.81 0.00 0.44 3.52 0.24 -4.94 118.95 122.73 3kjm s ARG 101 Ca 0.11 0.96 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 3kjm s ARG 101 Cb -0.22 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.28 3kjm s ARG 101 CO -0.03 -1.25 0.08 0.41 -0.81 0.00 0.00 175.30 173.69 3kjm n GLY 102 N 4.55 0.78 0.00 8.12 0.00 -1.26 -1.98 105.19 115.40 3kjm n GLY 102 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3kjm n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjm n ARG 103 N -0.35 1.19 -2.45 1.61 5.12 -1.26 -4.52 116.66 116.01 3kjm n ARG 103 Ca 0.00 -0.96 -0.16 0.00 -1.93 0.00 0.00 57.85 54.81 3kjm n ARG 103 Cb 0.00 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 3kjm n ARG 103 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kjm n GLY 104 N -0.25 -0.24 0.00 -0.13 0.00 -1.26 -4.86 105.19 98.45 3kjm n GLY 104 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.91 3kjm n GLY 104 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kjm n HIS 105 N -4.06 0.00 -1.34 1.61 8.25 -1.26 -0.93 115.22 117.48 3kjm n HIS 105 Ca -0.15 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.90 3kjm n HIS 105 Cb 0.62 -0.43 0.01 0.00 1.12 0.00 0.00 29.99 31.31 3kjm n HIS 105 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kjm n SER 106 N -1.43 -2.39 -0.08 0.41 7.64 -1.26 -4.55 113.62 111.96 3kjm n SER 106 Ca 0.06 0.78 -0.07 0.00 1.01 0.00 0.00 58.87 60.65 3kjm n SER 106 Cb 0.20 -0.97 -0.16 0.00 -1.01 0.00 0.00 64.21 62.28 3kjm n SER 106 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3kjm n LEU 107 N 1.87 0.10 -2.69 -3.43 4.77 -1.26 -2.24 117.00 114.11 3kjm n LEU 107 Ca 0.10 0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3kjm n LEU 107 Cb 0.43 0.41 0.04 0.00 -2.33 0.00 0.00 43.42 41.96 3kjm n LEU 107 CO 0.54 0.42 -0.08 0.23 -1.33 0.00 0.00 177.39 177.18 3kjm n MET 108 N -2.72 1.24 -0.99 3.23 2.81 -1.26 -4.06 117.12 115.37 3kjm n MET 108 Ca -0.28 -3.23 0.00 0.00 -1.81 0.00 0.00 57.70 52.38 3kjm n MET 108 Cb 1.08 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 32.33 3kjm n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kjm n GLY 109 N -0.17 0.46 0.27 3.03 0.00 -1.26 -4.93 105.19 102.59 3kjm n GLY 109 Ca 0.08 -0.38 0.18 0.00 0.00 0.00 0.00 46.02 45.90 3kjm n GLY 109 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kjm h GLN 110 N 0.68 0.00 -0.67 1.61 7.50 -1.92 -1.95 115.11 120.36 3kjm h GLN 110 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3kjm h GLN 110 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3kjm h GLN 110 CO 0.00 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.33 3kjm n ALA 111 N -2.01 2.53 -2.49 3.87 0.00 -1.26 -4.29 120.51 116.86 3kjm n ALA 111 Ca -0.01 -1.37 -0.31 0.00 0.00 0.00 0.00 53.44 51.76 3kjm n ALA 111 Cb 0.20 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 3kjm n ALA 111 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kjm s PHE 112 N -1.22 3.45 -0.51 0.00 0.08 -0.73 -4.59 117.98 114.46 3kjm s PHE 112 Ca 0.47 0.74 0.03 0.00 0.12 0.00 0.00 56.93 58.29 3kjm s PHE 112 Cb 0.26 -2.17 0.14 0.00 -0.57 0.00 0.00 43.02 40.69 3kjm s PHE 112 CO 0.29 0.26 0.31 0.00 -0.10 0.00 0.00 175.22 175.98 3kjm s ALA 113 N -1.89 2.67 -0.08 5.36 0.00 -1.26 -3.70 121.76 122.85 3kjm s ALA 113 Ca 0.45 -2.99 -0.29 0.00 0.00 0.00 0.00 51.96 49.13 3kjm s ALA 113 Cb -0.11 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 3kjm s ALA 113 CO 0.25 -2.05 1.97 -2.14 0.00 0.00 0.00 175.76 173.78 3kjm s PRO 114 N -0.20 3.80 -1.42 0.00 0.02 -1.26 -1.28 135.00 134.66 3kjm s PRO 114 Ca 0.21 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3kjm s PRO 114 Cb -0.17 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.15 3kjm s PRO 114 CO -0.05 -1.33 0.00 0.41 -0.33 0.00 0.00 177.00 175.69 3kjm n GLY 115 N 4.88 0.18 0.00 0.52 0.00 -0.39 -4.84 105.19 105.54 3kjm n GLY 115 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kjm n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjm n GLY 116 N -1.03 5.41 3.24 -0.02 0.00 -0.41 -4.34 105.19 108.05 3kjm n GLY 116 Ca -0.18 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 3kjm n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kjm s VAL 117 N 1.06 2.89 -0.17 1.61 1.01 0.20 0.08 120.40 127.09 3kjm s VAL 117 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 3kjm s VAL 117 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3kjm s VAL 117 CO 0.00 0.47 0.34 -0.69 0.00 0.00 0.00 175.10 175.22 3kjm s VAL 118 N 1.39 5.27 -0.27 2.92 1.01 -0.61 -1.92 120.40 128.19 3kjm s VAL 118 Ca 0.05 0.63 -0.20 0.00 0.00 0.00 0.00 61.98 62.46 3kjm s VAL 118 Cb -0.14 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3kjm s VAL 118 CO -0.07 0.35 0.63 -0.69 0.00 0.00 0.00 175.10 175.32 3kjm s VAL 119 N 0.69 4.97 -1.15 2.92 1.01 0.67 -0.84 120.40 128.68 3kjm s VAL 119 Ca 0.18 1.06 -0.20 0.00 0.00 0.00 0.00 61.98 63.02 3kjm s VAL 119 Cb -0.14 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.36 3kjm s VAL 119 CO 0.06 -0.02 1.55 0.21 0.00 0.00 0.00 175.10 176.89 3kjm s ASN 120 N 1.52 6.70 0.42 3.32 3.84 0.30 -0.59 114.94 130.45 3kjm s ASN 120 Ca 0.26 -2.05 0.14 0.00 0.21 0.00 0.00 52.86 51.42 3kjm s ASN 120 Cb -0.15 -2.55 1.00 0.00 -0.55 0.00 0.00 41.25 39.00 3kjm s ASN 120 CO 0.09 -1.27 1.95 0.24 -2.79 0.00 0.00 177.10 175.32 3kjm h MET 121 N 8.56 0.44 -0.06 0.43 2.86 -1.68 -2.23 114.93 123.25 3kjm h MET 121 Ca 0.31 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.94 3kjm h MET 121 Cb 0.94 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 3kjm h MET 121 CO 1.40 0.29 0.15 0.00 1.06 0.00 0.00 176.91 179.82 3kjm h ALA 122 N 1.66 1.38 0.00 6.32 0.00 -1.79 -1.55 119.26 125.28 3kjm h ALA 122 Ca 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3kjm h ALA 122 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kjm h ALA 122 CO -0.10 -0.18 -0.00 0.77 0.00 0.00 0.00 179.25 179.74 3kjm h SER 123 N 0.00 0.00 1.06 0.00 0.02 -1.63 -1.13 113.55 111.86 3kjm h SER 123 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3kjm h SER 123 Cb 0.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3kjm h SER 123 CO -0.00 0.00 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.56 3kjm h LEU 124 N 0.00 0.00 -0.15 5.07 3.38 -1.17 -3.03 115.31 119.42 3kjm h LEU 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kjm h LEU 124 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kjm h LEU 124 CO 0.00 0.06 -0.27 0.61 0.09 0.00 0.00 178.44 178.93 3kjm n GLY 125 N 0.13 -1.10 0.97 0.83 0.00 -0.43 -4.88 105.19 100.70 3kjm n GLY 125 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3kjm n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kjm n ASP 126 N -1.21 1.79 0.00 1.61 8.00 -1.14 -4.99 116.55 120.61 3kjm n ASP 126 Ca 0.09 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3kjm n ASP 126 Cb 0.32 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3kjm n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kjm n ALA 129 N 0.66 -0.90 -1.42 2.24 0.00 -1.26 -5.16 120.51 114.68 3kjm n ALA 129 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3kjm n ALA 129 Cb 0.30 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.88 3kjm n ALA 129 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kjm s PRO 130 N 0.00 1.41 0.23 0.00 0.02 -1.26 -5.07 135.00 130.33 3kjm s PRO 130 Ca 0.00 0.57 -0.30 0.00 0.02 0.00 0.00 61.00 61.29 3kjm s PRO 130 Cb 0.00 -1.85 -0.15 0.00 0.02 0.00 0.00 34.50 32.52 3kjm s PRO 130 CO 0.00 -2.07 0.95 -2.30 -0.33 0.00 0.00 177.00 173.24 3kjm n PRO 131 N -3.73 0.96 0.01 5.54 -0.02 -1.26 -4.92 135.00 131.58 3kjm n PRO 131 Ca 0.07 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 3kjm n PRO 131 Cb 0.57 -1.66 0.03 0.00 -0.02 0.00 0.00 33.50 32.42 3kjm n PRO 131 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kjm n ARG 132 N 1.09 0.17 -3.91 -0.52 5.12 -1.26 -4.77 116.66 112.58 3kjm n ARG 132 Ca 0.13 -0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.75 3kjm n ARG 132 Cb 0.28 -1.55 -0.16 0.00 -1.16 0.00 0.00 32.46 29.87 3kjm n ARG 132 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kjm s ILE 133 N -3.12 1.29 -0.33 0.55 1.01 -1.26 -0.95 121.20 118.39 3kjm s ILE 133 Ca 0.06 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3kjm s ILE 133 Cb 0.15 -1.50 0.08 0.00 0.01 0.00 0.00 42.46 41.20 3kjm s ILE 133 CO 0.80 0.04 0.04 0.20 0.00 0.00 0.00 174.94 176.01 3kjm s ASN 134 N 1.53 4.85 0.24 3.58 0.01 0.17 -4.98 114.94 120.35 3kjm s ASN 134 Ca -0.02 -1.69 -0.30 0.00 -0.71 0.00 0.00 52.86 50.14 3kjm s ASN 134 Cb -0.17 -1.68 -0.09 0.00 0.41 0.00 0.00 41.25 39.72 3kjm s ASN 134 CO -0.07 -0.34 1.28 -0.69 -1.51 0.00 0.00 177.10 175.76 3kjm s VAL 135 N 1.11 3.13 0.77 1.60 1.01 -1.26 0.06 120.40 126.82 3kjm s VAL 135 Ca 0.01 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 3kjm s VAL 135 Cb -0.20 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.60 3kjm s VAL 135 CO -0.04 0.19 1.22 -0.94 0.00 0.00 0.00 175.10 175.52 3kjm s SER 136 N -0.05 3.82 0.20 3.32 1.04 -0.52 -4.92 113.70 116.60 3kjm s SER 136 Ca 0.53 2.40 -0.10 0.00 0.48 0.00 0.00 55.95 59.26 3kjm s SER 136 Cb -0.37 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.31 3kjm s SER 136 CO 0.42 -2.51 1.83 0.00 0.98 0.00 0.00 173.24 173.96 3kjm h ALA 137 N -0.61 0.96 -0.00 5.32 0.00 -1.94 -2.93 119.26 120.05 3kjm h ALA 137 Ca -0.47 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kjm h ALA 137 Cb 1.30 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kjm h ALA 137 CO 0.48 0.46 -0.06 -0.40 0.00 0.00 0.00 179.25 179.72 3kjm n ASP 138 N -4.47 0.45 -1.27 0.00 5.68 -1.26 -4.94 116.55 110.74 3kjm n ASP 138 Ca 0.07 -0.73 -0.12 0.00 -0.50 0.00 0.00 54.79 53.51 3kjm n ASP 138 Cb 0.08 -0.07 -0.02 0.00 -1.14 0.00 0.00 41.12 39.97 3kjm n ASP 138 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kjm n GLY 139 N 1.21 0.29 0.05 6.12 0.00 -1.11 -4.92 105.19 106.84 3kjm n GLY 139 Ca 0.17 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.85 3kjm n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjm n ARG 140 N -2.32 0.66 -4.03 1.61 5.12 -1.26 -4.83 116.66 111.61 3kjm n ARG 140 Ca -0.14 -0.07 -0.10 0.00 -1.93 0.00 0.00 57.85 55.61 3kjm n ARG 140 Cb 0.55 -1.59 -0.06 0.00 -1.16 0.00 0.00 32.46 30.21 3kjm n ARG 140 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 3kjm s TYR 141 N -3.20 0.51 -0.05 -1.55 -0.85 -1.26 -2.56 117.35 108.39 3kjm s TYR 141 Ca -0.07 -0.85 0.01 0.00 -0.52 0.00 0.00 57.07 55.64 3kjm s TYR 141 Cb 0.11 0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.57 3kjm s TYR 141 CO 0.87 -0.98 -0.06 0.54 -1.52 0.00 0.00 175.55 174.40 3kjm s VAL 142 N -3.91 0.68 -0.16 -3.49 0.11 0.39 -1.44 120.40 112.58 3kjm s VAL 142 Ca 0.25 -0.20 -0.19 0.00 -2.93 0.00 0.00 61.98 58.92 3kjm s VAL 142 Cb 0.00 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 3kjm s VAL 142 CO 0.10 0.26 0.51 -1.81 -3.33 0.00 0.00 175.10 170.84 3kjm s ASP 143 N 0.93 6.64 -0.01 3.54 1.11 0.11 -0.64 116.67 128.36 3kjm s ASP 143 Ca -0.11 0.76 0.03 0.00 0.18 0.00 0.00 52.55 53.41 3kjm s ASP 143 Cb -0.14 -2.30 -0.01 0.00 1.07 0.00 0.00 42.92 41.54 3kjm s ASP 143 CO 0.00 -0.11 -0.09 0.00 1.18 0.00 0.00 175.17 176.16 3kjm s ALA 144 N 1.18 0.73 0.36 5.23 0.00 -0.72 0.43 121.76 128.97 3kjm s ALA 144 Ca 0.26 -0.38 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 3kjm s ALA 144 Cb -0.15 -0.18 -0.11 0.00 0.00 0.00 0.00 23.12 22.68 3kjm s ALA 144 CO 0.10 0.18 1.44 0.20 0.00 0.00 0.00 175.76 177.68 3kjm s GLY 145 N -0.23 2.89 0.55 0.00 0.00 -0.13 -0.61 107.32 109.79 3kjm s GLY 145 Ca 0.03 1.49 0.31 0.00 0.00 0.00 0.00 44.72 46.55 3kjm s GLY 145 CO -0.00 2.19 1.87 -1.33 0.00 0.00 0.00 173.10 175.82 3kjm h GLY 146 N 3.27 0.00 1.99 0.20 0.00 -1.48 -0.43 103.07 106.62 3kjm h GLY 146 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3kjm h GLY 146 CO 0.66 0.00 -0.01 1.05 0.00 0.00 0.00 176.54 178.24 3kjm h GLU 147 N 0.00 0.00 -6.94 4.80 9.09 -1.84 0.19 114.58 119.88 3kjm h GLU 147 Ca 0.39 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.28 3kjm h GLU 147 Cb 1.66 0.00 0.07 0.00 -1.65 0.00 0.00 28.75 28.84 3kjm h GLU 147 CO -0.00 0.00 0.59 -0.65 0.05 0.00 0.00 179.01 178.99 3kjm s GLN 148 N -3.18 4.04 0.15 1.06 -1.52 -0.17 -4.67 119.66 115.37 3kjm s GLN 148 Ca 0.08 2.08 -0.16 0.00 -1.95 0.00 0.00 55.36 55.42 3kjm s GLN 148 Cb 0.07 -2.78 -0.07 0.00 -0.22 0.00 0.00 33.01 30.01 3kjm s GLN 148 CO 0.65 -0.41 0.58 0.14 -0.25 0.00 0.00 175.29 176.00 3kjm s VAL 149 N -1.28 4.80 0.52 1.09 -7.23 -1.26 -0.69 120.40 116.35 3kjm s VAL 149 Ca 0.56 0.95 0.23 0.00 -1.81 0.00 0.00 61.98 61.90 3kjm s VAL 149 Cb -0.36 -3.77 0.38 0.00 0.56 0.00 0.00 36.38 33.18 3kjm s VAL 149 CO 0.47 0.27 2.01 -0.50 -0.31 0.00 0.00 175.10 177.04 3kjm h TRP 150 N 3.64 0.06 -0.93 2.82 4.06 -0.90 -1.02 115.95 123.68 3kjm h TRP 150 Ca -0.49 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.48 3kjm h TRP 150 Cb 1.20 -0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 29.29 3kjm h TRP 150 CO 0.65 0.02 0.62 0.97 -3.56 0.00 0.00 178.44 177.14 3kjm h ILE 151 N 0.05 1.22 -0.04 1.49 6.09 -1.60 0.15 117.51 124.88 3kjm h ILE 151 Ca 0.23 -0.43 -0.23 0.00 -1.37 0.00 0.00 64.86 63.07 3kjm h ILE 151 Cb 0.87 -0.13 0.02 0.00 0.47 0.00 0.00 36.82 38.04 3kjm h ILE 151 CO -0.01 0.23 -0.88 0.44 -3.07 0.00 0.00 178.15 174.86 3kjm h ASP 152 N 1.24 0.84 -0.66 2.19 3.32 -1.50 -1.70 116.42 120.15 3kjm h ASP 152 Ca 0.35 -0.71 0.11 0.00 0.02 0.00 0.00 57.03 56.79 3kjm h ASP 152 Cb -0.11 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.10 3kjm h ASP 152 CO -0.08 1.44 0.26 0.58 -1.72 0.00 0.00 179.24 179.72 3kjm h VAL 153 N 0.33 0.75 -0.07 -1.35 2.07 -1.26 -0.54 116.25 116.17 3kjm h VAL 153 Ca -0.10 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kjm h VAL 153 Cb 1.54 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3kjm h VAL 153 CO 0.17 0.08 0.05 0.25 0.02 0.00 0.00 177.57 178.14 3kjm h LEU 154 N 0.45 0.09 -0.65 2.57 5.85 -0.60 -1.30 115.31 121.72 3kjm h LEU 154 Ca 0.34 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3kjm h LEU 154 Cb 0.44 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3kjm h LEU 154 CO -0.33 0.09 0.42 0.03 -0.34 0.00 0.00 178.44 178.32 3kjm h ARG 155 N 0.07 0.86 -0.15 1.25 3.08 -0.83 0.11 114.38 118.78 3kjm h ARG 155 Ca 0.03 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 3kjm h ARG 155 Cb 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3kjm h ARG 155 CO -0.01 0.58 -0.48 0.00 -1.07 0.00 0.00 179.97 178.99 3kjm h ALA 156 N 1.23 0.88 -0.19 0.04 0.00 -1.08 -2.27 119.26 117.86 3kjm h ALA 156 Ca 0.24 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3kjm h ALA 156 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kjm h ALA 156 CO -0.05 0.66 -0.10 0.77 0.00 0.00 0.00 179.25 180.53 3kjm h SER 157 N 0.32 0.41 -0.71 0.00 0.02 -0.85 -3.27 113.55 109.48 3kjm h SER 157 Ca 0.02 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 3kjm h SER 157 Cb 0.97 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 3kjm h SER 157 CO 0.08 0.74 0.32 -0.07 -1.14 0.00 0.00 176.83 176.77 3kjm h LEU 158 N 0.09 0.96 -2.09 5.07 3.38 -0.30 -0.33 115.31 122.08 3kjm h LEU 158 Ca 0.04 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3kjm h LEU 158 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kjm h LEU 158 CO 0.03 0.84 0.21 0.00 0.09 0.00 0.00 178.44 179.61 3kjm h ALA 159 N 1.30 2.09 -0.33 1.53 0.00 -1.47 -0.10 119.26 122.29 3kjm h ALA 159 Ca 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3kjm h ALA 159 Cb 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3kjm h ALA 159 CO -0.03 -0.35 0.01 0.54 0.00 0.00 0.00 179.25 179.43 3kjm n ARG 160 N -4.18 3.11 -1.04 0.00 1.74 -0.70 -4.98 116.66 110.61 3kjm n ARG 160 Ca 0.03 -2.92 -0.01 0.00 -0.77 0.00 0.00 57.85 54.18 3kjm n ARG 160 Cb 0.37 -1.91 -0.01 0.00 -1.02 0.00 0.00 32.46 29.89 3kjm n ARG 160 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kjm n GLY 161 N -0.42 0.46 3.65 -0.13 0.00 -0.05 -5.01 105.19 103.69 3kjm n GLY 161 Ca 0.24 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3kjm n GLY 161 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kjm s VAL 162 N -1.82 1.49 -0.24 1.61 -7.23 -0.22 -1.04 120.40 112.96 3kjm s VAL 162 Ca 0.00 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.91 3kjm s VAL 162 Cb 0.00 -2.62 0.10 0.00 0.56 0.00 0.00 36.38 34.42 3kjm s VAL 162 CO 0.00 0.00 0.88 0.00 -0.31 0.00 0.00 175.10 175.67 3kjm s ALA 163 N -2.87 -1.88 0.86 1.32 0.00 -0.46 -2.22 121.76 116.50 3kjm s ALA 163 Ca 0.23 1.83 -0.14 0.00 0.00 0.00 0.00 51.96 53.88 3kjm s ALA 163 Cb 0.06 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 22.11 3kjm s ALA 163 CO 0.12 -0.30 0.54 -2.30 0.00 0.00 0.00 175.76 173.82 3kjm n PRO 164 N 2.04 -0.03 -0.08 0.00 -0.02 -1.26 -0.76 135.00 134.88 3kjm n PRO 164 Ca -0.13 0.04 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 3kjm n PRO 164 Cb 0.56 -1.91 -0.15 0.00 -0.02 0.00 0.00 33.50 31.97 3kjm n PRO 164 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kjm n ARG 165 N -1.55 0.67 -4.99 -0.52 1.74 -1.25 -4.72 116.66 106.05 3kjm n ARG 165 Ca 0.09 0.10 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 3kjm n ARG 165 Cb 0.52 -1.60 -0.16 0.00 -1.02 0.00 0.00 32.46 30.19 3kjm n ARG 165 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kjm s SER 166 N -5.80 3.26 0.49 0.55 0.15 -1.26 -4.87 113.70 106.22 3kjm s SER 166 Ca -0.11 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.03 3kjm s SER 166 Cb 0.07 -1.46 -0.02 0.00 -1.71 0.00 0.00 66.02 62.90 3kjm s SER 166 CO 0.81 0.14 0.01 0.26 1.20 0.00 0.00 173.24 175.66 3kjm s TRP 167 N 0.48 1.94 0.32 3.44 0.52 -1.26 -4.72 118.94 119.66 3kjm s TRP 167 Ca -0.14 -0.94 0.08 0.00 0.02 0.00 0.00 56.10 55.12 3kjm s TRP 167 Cb -0.17 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 3kjm s TRP 167 CO 0.06 0.22 0.15 0.95 0.02 0.00 0.00 176.95 178.35 3kjm s THR 168 N -2.88 3.31 0.46 2.01 -4.23 -1.26 -2.45 115.64 110.60 3kjm s THR 168 Ca 0.10 -1.64 0.16 0.00 -1.18 0.00 0.00 61.69 59.13 3kjm s THR 168 Cb 0.03 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 71.04 3kjm s THR 168 CO 0.06 -0.23 2.03 0.44 -0.54 0.00 0.00 174.62 176.38 3kjm h ASP 169 N 1.54 0.00 -3.27 3.99 3.32 -1.94 -3.42 116.42 116.64 3kjm h ASP 169 Ca -0.44 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 55.97 3kjm h ASP 169 Cb 1.25 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.46 3kjm h ASP 169 CO 0.62 0.15 -0.86 -0.47 -1.72 0.00 0.00 179.24 176.96 3kjm s TYR 170 N -4.66 2.36 -1.31 4.55 5.04 -1.26 -4.36 117.35 117.71 3kjm s TYR 170 Ca -0.04 -1.10 0.26 0.00 -2.44 0.00 0.00 57.07 53.75 3kjm s TYR 170 Cb 0.16 -1.63 0.68 0.00 0.35 0.00 0.00 41.96 41.52 3kjm s TYR 170 CO 0.68 -0.50 1.53 1.28 -1.34 0.00 0.00 175.55 177.19 3kjm n LEU 171 N 3.95 0.65 -2.48 6.97 4.77 -1.26 -4.20 117.00 125.41 3kjm n LEU 171 Ca -0.20 -0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.44 3kjm n LEU 171 Cb 0.52 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3kjm n LEU 171 CO 0.26 0.14 1.52 -1.22 -1.33 0.00 0.00 177.39 176.76 3kjm n TYR 172 N -1.17 1.92 -4.45 -1.77 4.02 -1.26 -1.65 117.16 112.79 3kjm n TYR 172 Ca 0.09 -2.07 -0.25 0.00 -0.01 0.00 0.00 57.90 55.66 3kjm n TYR 172 Cb 0.34 -1.30 -0.11 0.00 -0.02 0.00 0.00 39.34 38.25 3kjm n TYR 172 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3kjm s LEU 173 N -2.55 2.54 0.24 7.72 1.43 -1.26 -4.90 118.68 121.90 3kjm s LEU 173 Ca 0.54 -0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 3kjm s LEU 173 Cb 0.38 -1.11 -0.08 0.00 0.03 0.00 0.00 46.19 45.42 3kjm s LEU 173 CO -0.22 0.06 0.59 0.42 0.23 0.00 0.00 176.35 177.43 3kjm s THR 174 N -2.26 4.88 0.17 5.49 -4.23 -1.26 -1.32 115.64 117.11 3kjm s THR 174 Ca 0.27 0.59 -0.22 0.00 -1.18 0.00 0.00 61.69 61.15 3kjm s THR 174 Cb -0.06 -3.62 0.09 0.00 1.34 0.00 0.00 72.50 70.25 3kjm s THR 174 CO 0.13 -0.07 1.60 0.58 -0.54 0.00 0.00 174.62 176.32 3kjm h VAL 175 N 2.05 0.23 0.00 2.29 2.07 -0.92 -0.79 116.25 121.18 3kjm h VAL 175 Ca -0.47 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 3kjm h VAL 175 Cb 1.17 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kjm h VAL 175 CO 0.68 0.00 -0.46 1.23 0.02 0.00 0.00 177.57 179.04 3kjm h GLY 176 N -0.20 0.00 0.60 2.17 0.00 -1.22 -1.99 103.07 102.43 3kjm h GLY 176 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3kjm h GLY 176 CO -0.58 0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 174.62 3kjm h GLY 177 N 1.44 0.03 1.75 4.60 0.00 -1.61 -2.48 103.07 106.79 3kjm h GLY 177 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 3kjm h GLY 177 CO 0.06 0.02 -0.38 -0.91 0.00 0.00 0.00 176.54 175.33 3kjm h THR 178 N -0.38 1.30 0.00 4.70 1.35 -1.11 -2.99 112.91 115.78 3kjm h THR 178 Ca 0.00 -1.47 -0.05 0.00 -0.55 0.00 0.00 66.41 64.34 3kjm h THR 178 Cb 0.42 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 3kjm h THR 178 CO 0.00 0.44 -0.26 -0.07 -0.25 0.00 0.00 175.52 175.39 3kjm h LEU 179 N 0.24 0.00 0.00 3.87 3.38 -1.39 0.11 115.31 121.52 3kjm h LEU 179 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kjm h LEU 179 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3kjm h LEU 179 CO 0.06 0.26 0.00 -1.20 0.09 0.00 0.00 178.44 177.65 3kjm n SER 180 N -3.38 0.00 0.00 -0.43 7.64 -0.94 -0.48 113.62 116.03 3kjm n SER 180 Ca 0.00 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.23 3kjm n SER 180 Cb 0.47 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3kjm n SER 180 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kjm n ASN 181 N -1.45 0.00 0.00 6.43 3.02 -0.81 -0.44 115.26 122.02 3kjm n ASN 181 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3kjm n ASN 181 Cb 0.28 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3kjm n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kjm n ALA 182 N -2.38 0.00 -1.03 5.41 0.00 0.30 -4.12 120.51 118.69 3kjm n ALA 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kjm n ALA 182 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kjm n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjm n GLY 183 N -0.98 -1.99 3.35 0.00 0.00 -1.12 -1.69 105.19 102.75 3kjm n GLY 183 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 3kjm n GLY 183 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kjm s ILE 184 N 0.00 2.17 0.00 -0.61 -4.36 -1.25 -0.93 121.20 116.22 3kjm s ILE 184 Ca 0.00 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 3kjm s ILE 184 Cb 0.00 -1.84 0.00 0.00 1.25 0.00 0.00 42.46 41.87 3kjm s ILE 184 CO 0.00 0.38 0.00 -0.24 0.24 0.00 0.00 174.94 175.32 3kjm n SER 185 N 1.80 0.00 0.00 4.36 2.88 -1.02 -3.79 113.62 117.84 3kjm n SER 185 Ca -0.17 -0.45 0.10 0.00 -1.33 0.00 0.00 58.87 57.02 3kjm n SER 185 Cb 0.52 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.51 3kjm n SER 185 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kjm n GLY 186 N 0.00 -0.84 0.03 0.46 0.00 -1.26 -2.45 105.19 101.13 3kjm n GLY 186 Ca 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.03 3kjm n GLY 186 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kjm n GLN 187 N -1.19 0.27 0.28 1.61 3.00 -1.26 -1.18 117.38 118.91 3kjm n GLN 187 Ca 0.11 0.01 0.17 0.00 -0.01 0.00 0.00 57.00 57.27 3kjm n GLN 187 Cb 0.13 -1.60 0.74 0.00 0.00 0.00 0.00 30.24 29.52 3kjm n GLN 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kjm h ALA 188 N 2.57 1.04 -0.14 -1.58 0.00 -1.64 -1.64 119.26 117.86 3kjm h ALA 188 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kjm h ALA 188 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3kjm h ALA 188 CO 0.00 0.06 -0.08 0.27 0.00 0.00 0.00 179.25 179.50 3kjm h PHE 189 N 0.00 0.22 0.00 0.00 -5.15 -1.81 0.09 116.94 110.29 3kjm h PHE 189 Ca -0.00 -0.02 -0.25 0.00 -0.20 0.00 0.00 57.97 57.50 3kjm h PHE 189 Cb 0.44 -0.07 -0.05 0.00 0.22 0.00 0.00 35.95 36.50 3kjm h PHE 189 CO 0.00 0.31 -1.96 2.89 -2.00 0.00 0.00 178.31 177.55 3kjm n ARG 190 N -4.33 1.65 0.00 6.09 1.85 -0.95 -4.41 116.66 116.56 3kjm n ARG 190 Ca -0.01 -0.01 0.07 0.00 -1.00 0.00 0.00 57.85 56.90 3kjm n ARG 190 Cb 0.23 -1.36 -0.04 0.00 -1.05 0.00 0.00 32.46 30.24 3kjm n ARG 190 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3kjm n HIS 191 N -2.50 0.00 -0.03 2.89 8.25 -0.66 -5.01 115.22 118.16 3kjm n HIS 191 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 3kjm n HIS 191 Cb 0.94 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.05 3kjm n HIS 191 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kjm n GLY 192 N 1.20 -1.74 3.53 -1.41 0.00 0.02 -4.70 105.19 102.09 3kjm n GLY 192 Ca 0.04 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 3kjm n GLY 192 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kjm s PRO 193 N -1.71 -1.25 0.48 1.61 0.04 -1.26 -4.18 135.00 128.74 3kjm s PRO 193 Ca 0.00 0.24 0.14 0.00 0.04 0.00 0.00 61.00 61.42 3kjm s PRO 193 Cb 0.00 -1.57 1.14 0.00 0.04 0.00 0.00 34.50 34.11 3kjm s PRO 193 CO 0.00 -3.79 2.09 1.96 0.04 0.00 0.00 177.00 177.30 3kjm h GLN 194 N -2.65 0.08 0.00 4.56 4.20 -0.19 -0.36 115.11 120.75 3kjm h GLN 194 Ca -0.50 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.20 3kjm h GLN 194 Cb 1.32 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.08 3kjm h GLN 194 CO 0.41 0.10 0.00 -0.84 -0.67 0.00 0.00 178.83 177.83 3kjm h ILE 195 N 0.08 0.00 -0.15 2.54 3.07 -1.59 -1.46 117.51 120.00 3kjm h ILE 195 Ca 0.02 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.18 3kjm h ILE 195 Cb 0.08 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 37.67 3kjm h ILE 195 CO 0.00 0.00 0.00 -1.20 -1.05 0.00 0.00 178.15 175.90 3kjm n SER 196 N -2.59 1.64 -2.06 2.16 7.64 -0.15 -4.20 113.62 116.07 3kjm n SER 196 Ca 0.00 -1.68 -0.13 0.00 1.01 0.00 0.00 58.87 58.08 3kjm n SER 196 Cb 0.20 -0.09 0.05 0.00 -1.01 0.00 0.00 64.21 63.36 3kjm n SER 196 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kjm n ASN 197 N 0.30 3.46 -4.15 6.43 3.02 -0.55 -4.96 115.26 118.81 3kjm n ASN 197 Ca 0.17 -3.21 -0.32 0.00 -0.03 0.00 0.00 54.58 51.19 3kjm n ASN 197 Cb 0.33 -0.40 -0.16 0.00 -0.61 0.00 0.00 39.78 38.94 3kjm n ASN 197 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kjm s VAL 198 N -3.99 2.01 -0.06 2.41 1.01 -1.25 -1.81 120.40 118.71 3kjm s VAL 198 Ca 0.42 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 3kjm s VAL 198 Cb 0.38 -1.79 -0.31 0.00 0.00 0.00 0.00 36.38 34.67 3kjm s VAL 198 CO -0.00 0.54 0.81 -0.07 0.00 0.00 0.00 175.10 176.37 3kjm h LEU 199 N 7.47 0.48 -7.80 3.92 4.07 -0.56 -3.49 115.31 119.41 3kjm h LEU 199 Ca -0.35 -0.92 0.09 0.00 0.08 0.00 0.00 57.88 56.78 3kjm h LEU 199 Cb 1.18 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 42.69 3kjm h LEU 199 CO 0.57 1.49 0.30 -1.83 -1.08 0.00 0.00 178.44 177.88 3kjm s GLU 200 N -2.46 1.57 0.03 1.13 -1.05 -1.24 -4.44 118.70 112.24 3kjm s GLU 200 Ca -0.15 -0.84 -0.02 0.00 -0.15 0.00 0.00 54.97 53.81 3kjm s GLU 200 Cb 0.02 0.55 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 3kjm s GLU 200 CO 0.82 -0.72 0.01 -1.64 0.95 0.00 0.00 175.26 174.69 3kjm s MET 201 N -3.72 0.47 -0.24 -4.83 -1.94 -0.11 -0.02 119.30 108.91 3kjm s MET 201 Ca 0.10 -0.80 -0.10 0.00 -1.71 0.00 0.00 55.69 53.18 3kjm s MET 201 Cb -0.04 0.17 -0.05 0.00 2.01 0.00 0.00 34.83 36.92 3kjm s MET 201 CO 0.04 -0.09 0.15 -0.51 -0.01 0.00 0.00 175.02 174.59 3kjm s ASP 202 N -2.02 5.99 -0.09 3.03 1.01 0.54 -0.93 116.67 124.20 3kjm s ASP 202 Ca -0.07 0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.27 3kjm s ASP 202 Cb -0.03 -2.08 0.02 0.00 1.01 0.00 0.00 42.92 41.84 3kjm s ASP 202 CO -0.04 0.06 -0.09 -0.69 0.21 0.00 0.00 175.17 174.61 3kjm s VAL 203 N 1.11 1.04 -0.43 -1.27 1.01 0.14 -0.59 120.40 121.41 3kjm s VAL 203 Ca 0.07 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 3kjm s VAL 203 Cb -0.14 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.24 3kjm s VAL 203 CO 0.05 0.36 0.75 -0.63 0.00 0.00 0.00 175.10 175.63 3kjm s ILE 204 N 1.32 4.70 0.90 2.22 1.01 -0.43 -0.41 121.20 130.50 3kjm s ILE 204 Ca -0.02 0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 3kjm s ILE 204 Cb -0.14 -4.27 0.13 0.00 0.01 0.00 0.00 42.46 38.19 3kjm s ILE 204 CO -0.04 -0.64 1.11 0.42 0.00 0.00 0.00 174.94 175.79 3kjm s THR 205 N 3.15 2.37 -1.27 2.92 -4.23 -0.19 -1.24 115.64 117.15 3kjm s THR 205 Ca 0.28 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.99 3kjm s THR 205 Cb -0.13 -2.79 0.11 0.00 1.34 0.00 0.00 72.50 71.04 3kjm s THR 205 CO 0.21 -0.16 1.17 0.61 -0.54 0.00 0.00 174.62 175.92 3kjm n GLY 206 N -1.85 -0.63 0.10 3.99 0.00 0.01 -0.74 105.19 106.05 3kjm n GLY 206 Ca 0.06 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3kjm n GLY 206 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3kjm h HIS 207 N 0.00 0.00 0.00 1.61 3.86 -1.82 -3.40 115.15 115.40 3kjm h HIS 207 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kjm h HIS 207 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3kjm h HIS 207 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3kjm n GLY 208 N 1.30 0.85 3.56 2.45 0.00 0.08 -4.21 105.19 109.21 3kjm n GLY 208 Ca 0.04 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3kjm n GLY 208 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kjm s GLU 209 N -0.58 3.83 -0.14 1.61 2.12 -1.24 -4.57 118.70 119.73 3kjm s GLU 209 Ca 0.00 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.63 3kjm s GLU 209 Cb 0.00 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 3kjm s GLU 209 CO 0.00 0.11 1.23 1.41 -0.54 0.00 0.00 175.26 177.47 3kjm s MET 210 N 0.81 4.26 -0.07 4.30 -2.45 -1.26 -1.03 119.30 123.86 3kjm s MET 210 Ca 0.03 1.64 0.01 0.00 -1.25 0.00 0.00 55.69 56.12 3kjm s MET 210 Cb -0.14 -3.70 0.02 0.00 1.25 0.00 0.00 34.83 32.26 3kjm s MET 210 CO 0.02 -0.64 -0.07 0.08 1.05 0.00 0.00 175.02 175.46 3kjm s VAL 211 N 3.16 0.84 -0.13 10.11 1.01 0.45 -4.99 120.40 130.85 3kjm s VAL 211 Ca 0.54 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.07 3kjm s VAL 211 Cb -0.22 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3kjm s VAL 211 CO 0.16 0.30 0.51 -0.89 0.00 0.00 0.00 175.10 175.18 3kjm s THR 212 N 1.08 5.16 0.04 3.92 2.01 -1.26 -0.69 115.64 125.90 3kjm s THR 212 Ca -0.08 1.01 0.02 0.00 0.31 0.00 0.00 61.69 62.95 3kjm s THR 212 Cb -0.14 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 3kjm s THR 212 CO -0.01 0.29 -0.07 0.00 -0.69 0.00 0.00 174.62 174.14 3kjm n SER 214 N 1.60 0.00 0.30 0.00 3.41 0.12 -0.93 113.62 118.11 3kjm n SER 214 Ca -0.22 -0.96 0.20 0.00 -0.26 0.00 0.00 58.87 57.62 3kjm n SER 214 Cb 0.55 0.00 0.93 0.00 -0.26 0.00 0.00 64.21 65.43 3kjm n SER 214 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kjm h LYS 215 N 0.00 0.00 0.00 4.33 1.79 -1.91 -3.08 116.57 117.70 3kjm h LYS 215 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kjm h LYS 215 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3kjm h LYS 215 CO 0.00 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.41 3kjm n GLN 216 N -3.01 0.00 -2.65 3.15 3.00 -1.26 -4.64 117.38 111.97 3kjm n GLN 216 Ca -0.01 0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 3kjm n GLN 216 Cb 0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 30.24 29.95 3kjm n GLN 216 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3kjm s LEU 217 N -3.87 4.22 -1.34 1.08 2.96 -1.26 -4.02 118.68 116.46 3kjm s LEU 217 Ca 0.00 1.53 -0.01 0.00 -0.22 0.00 0.00 54.13 55.43 3kjm s LEU 217 Cb 0.00 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.14 3kjm s LEU 217 CO 0.00 -0.51 0.58 0.59 -1.32 0.00 0.00 176.35 175.69 3kjm n ASN 218 N 5.31 -1.09 0.27 3.68 4.13 -1.26 0.13 115.26 126.43 3kjm n ASN 218 Ca 0.10 -0.91 0.11 0.00 1.68 0.00 0.00 54.58 55.56 3kjm n ASN 218 Cb 0.48 -3.59 0.76 0.00 -1.54 0.00 0.00 39.78 35.89 3kjm n ASN 218 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kjm h ALA 219 N 0.84 1.70 -0.41 5.41 0.00 -1.67 -2.52 119.26 122.61 3kjm h ALA 219 Ca -0.62 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 3kjm h ALA 219 Cb 1.37 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3kjm h ALA 219 CO 0.58 0.03 0.07 0.38 0.00 0.00 0.00 179.25 180.32 3kjm h ASP 220 N 0.00 0.66 -0.39 0.00 2.03 -1.89 -1.63 116.42 115.19 3kjm h ASP 220 Ca -0.00 -0.26 -0.14 0.00 -0.73 0.00 0.00 57.03 55.90 3kjm h ASP 220 Cb 0.06 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.37 3kjm h ASP 220 CO 0.00 0.75 -0.30 0.25 -1.03 0.00 0.00 179.24 178.91 3kjm h LEU 221 N 0.54 0.95 -0.44 0.15 5.85 -1.84 -1.66 115.31 118.85 3kjm h LEU 221 Ca 0.13 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.47 3kjm h LEU 221 Cb 0.37 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3kjm h LEU 221 CO 0.01 1.19 0.10 0.15 -0.34 0.00 0.00 178.44 179.54 3kjm h PHE 222 N 0.72 0.16 -0.37 1.25 3.57 -1.40 -1.04 116.94 119.82 3kjm h PHE 222 Ca 0.07 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 3kjm h PHE 222 Cb 0.89 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 3kjm h PHE 222 CO 0.06 0.02 -0.22 -0.44 -2.23 0.00 0.00 178.31 175.50 3kjm h ASP 223 N 0.23 0.84 -0.32 0.41 3.32 -1.25 -3.08 116.42 116.58 3kjm h ASP 223 Ca 0.22 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3kjm h ASP 223 Cb 0.27 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kjm h ASP 223 CO -0.28 1.08 0.14 0.00 -1.72 0.00 0.00 179.24 178.46 3kjm h ALA 224 N 0.79 0.41 -0.29 3.45 0.00 -0.98 -2.32 119.26 120.32 3kjm h ALA 224 Ca 0.08 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3kjm h ALA 224 Cb 0.78 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kjm h ALA 224 CO 0.06 -0.01 -0.35 0.28 0.00 0.00 0.00 179.25 179.24 3kjm h VAL 225 N 0.37 1.29 -2.91 0.00 2.07 -1.25 -3.12 116.25 112.70 3kjm h VAL 225 Ca 0.11 -1.49 -0.57 0.00 0.82 0.00 0.00 66.70 65.57 3kjm h VAL 225 Cb 0.15 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3kjm h VAL 225 CO -0.01 0.48 1.17 -0.76 0.02 0.00 0.00 177.57 178.47 3kjm s LEU 226 N -8.66 3.61 -0.12 2.57 1.43 -1.16 -0.51 118.68 115.84 3kjm s LEU 226 Ca -0.08 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 3kjm s LEU 226 Cb 0.12 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3kjm s LEU 226 CO 0.83 -1.51 0.00 0.61 0.23 0.00 0.00 176.35 176.51 3kjm n GLY 227 N 5.14 0.50 0.07 -3.19 0.00 0.37 -1.50 105.19 106.57 3kjm n GLY 227 Ca 0.20 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 46.03 3kjm n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjm n GLY 228 N -2.48 -0.97 3.00 -0.02 0.00 0.33 -3.59 105.19 101.47 3kjm n GLY 228 Ca -0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 3kjm n GLY 228 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjm n LEU 229 N -0.96 -2.41 -1.80 0.99 4.77 0.41 -2.33 117.00 115.67 3kjm n LEU 229 Ca 0.19 -0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 3kjm n LEU 229 Cb 0.20 -2.83 -0.04 0.00 -2.33 0.00 0.00 43.42 38.41 3kjm n LEU 229 CO 0.20 0.17 -0.21 0.61 -1.33 0.00 0.00 177.39 176.83 3kjm n GLY 230 N -1.41 0.64 0.11 -0.72 0.00 -1.26 -4.85 105.19 97.70 3kjm n GLY 230 Ca -0.11 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3kjm n GLY 230 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kjm h GLN 231 N 0.00 0.00 0.00 1.61 1.08 -1.73 -3.31 115.11 112.77 3kjm h GLN 231 Ca -0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 3kjm h GLN 231 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 3kjm h GLN 231 CO 0.54 0.00 -0.63 1.19 -0.95 0.00 0.00 178.83 178.98 3kjm n PHE 232 N -2.50 0.00 0.00 2.96 3.72 -1.26 -4.60 117.46 115.78 3kjm n PHE 232 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3kjm n PHE 232 Cb 0.50 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3kjm n PHE 232 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kjm n GLY 233 N 1.84 0.55 3.59 1.37 0.00 -1.26 -2.90 105.19 108.38 3kjm n GLY 233 Ca -0.00 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3kjm n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjm s VAL 234 N -2.00 4.67 -0.11 1.61 0.11 -0.37 -4.80 120.40 119.51 3kjm s VAL 234 Ca 0.00 -0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 3kjm s VAL 234 Cb 0.00 -3.12 -0.03 0.00 -1.53 0.00 0.00 36.38 31.70 3kjm s VAL 234 CO 0.00 0.43 1.31 -0.63 -3.33 0.00 0.00 175.10 172.88 3kjm s ILE 235 N 0.64 4.13 -0.06 7.04 1.01 -1.26 -1.32 121.20 131.38 3kjm s ILE 235 Ca 0.03 1.40 0.14 0.00 0.00 0.00 0.00 60.65 62.22 3kjm s ILE 235 Cb -0.13 -3.90 -0.21 0.00 0.01 0.00 0.00 42.46 38.23 3kjm s ILE 235 CO 0.02 -0.09 0.23 0.35 0.00 0.00 0.00 174.94 175.45 3kjm n THR 236 N 5.16 0.31 -3.74 2.92 -2.24 0.24 -3.98 114.28 112.94 3kjm n THR 236 Ca 0.14 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 3kjm n THR 236 Cb 0.45 -0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.46 3kjm n THR 236 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kjm s ARG 237 N -2.79 0.32 -0.06 -0.78 3.52 -1.16 -1.81 118.95 116.18 3kjm s ARG 237 Ca -0.06 0.52 0.03 0.00 -0.13 0.00 0.00 55.73 56.09 3kjm s ARG 237 Cb 0.08 0.05 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 3kjm s ARG 237 CO 0.59 -0.10 -0.15 0.00 -0.81 0.00 0.00 175.30 174.83 3kjm s ALA 238 N 0.70 1.46 -0.44 6.12 0.00 0.22 -0.34 121.76 129.48 3kjm s ALA 238 Ca -0.04 -0.58 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 3kjm s ALA 238 Cb -0.06 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.52 3kjm s ALA 238 CO -0.05 0.19 0.49 0.50 0.00 0.00 0.00 175.76 176.90 3kjm s ARG 239 N 0.40 3.11 -0.19 0.00 3.52 0.97 -1.76 118.95 124.99 3kjm s ARG 239 Ca -0.11 -0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 54.63 3kjm s ARG 239 Cb -0.14 -4.01 -0.03 0.00 -1.56 0.00 0.00 34.95 29.21 3kjm s ARG 239 CO 0.04 -0.96 0.02 0.42 -0.81 0.00 0.00 175.30 174.02 3kjm s ILE 240 N 2.26 4.26 0.29 4.11 1.01 0.19 0.26 121.20 133.59 3kjm s ILE 240 Ca 0.13 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 3kjm s ILE 240 Cb -0.18 -2.92 -0.11 0.00 0.01 0.00 0.00 42.46 39.25 3kjm s ILE 240 CO 0.13 0.43 1.60 0.00 0.00 0.00 0.00 174.94 177.11 3kjm s ALA 241 N 0.79 3.75 0.31 9.38 0.00 -0.75 -0.46 121.76 134.77 3kjm s ALA 241 Ca 0.01 1.59 0.08 0.00 0.00 0.00 0.00 51.96 53.64 3kjm s ALA 241 Cb -0.14 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 3kjm s ALA 241 CO 0.02 -1.00 -0.07 0.14 0.00 0.00 0.00 175.76 174.85 3kjm s VAL 242 N 0.01 1.86 0.26 0.00 -7.23 -1.06 -3.75 120.40 110.49 3kjm s VAL 242 Ca 0.64 -2.15 0.05 0.00 -1.81 0.00 0.00 61.98 58.70 3kjm s VAL 242 Cb -0.48 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 33.87 3kjm s VAL 242 CO 0.48 -0.25 -0.02 -1.83 -0.31 0.00 0.00 175.10 173.16 3kjm s GLU 243 N -3.69 1.46 0.24 4.82 -1.05 0.06 -4.79 118.70 115.75 3kjm s GLU 243 Ca 0.31 -1.74 -0.31 0.00 -0.15 0.00 0.00 54.97 53.07 3kjm s GLU 243 Cb 0.03 -0.87 -0.12 0.00 -0.44 0.00 0.00 34.13 32.73 3kjm s GLU 243 CO 0.14 -0.05 1.63 -2.30 0.95 0.00 0.00 175.26 175.63 3kjm n PRO 244 N -0.51 2.62 -2.24 -4.83 -0.02 -1.26 -1.36 135.00 127.39 3kjm n PRO 244 Ca -0.05 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 3kjm n PRO 244 Cb 0.64 -2.74 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3kjm n PRO 244 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kjm s ALA 245 N 0.56 3.63 0.73 3.55 0.00 -0.20 -4.74 121.76 125.28 3kjm s ALA 245 Ca 0.70 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 3kjm s ALA 245 Cb -0.53 -3.66 0.03 0.00 0.00 0.00 0.00 23.12 18.96 3kjm s ALA 245 CO 0.41 -1.20 1.10 -1.25 0.00 0.00 0.00 175.76 174.82 3kjm s PRO 246 N 3.47 2.46 -0.17 0.00 0.04 -1.26 -4.91 135.00 134.63 3kjm s PRO 246 Ca 0.63 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.98 3kjm s PRO 246 Cb -0.27 -1.91 -0.22 0.00 0.04 0.00 0.00 34.50 32.13 3kjm s PRO 246 CO 0.22 -1.50 0.17 0.00 0.04 0.00 0.00 177.00 175.93 3kjm n ALA 247 N -3.05 1.24 -2.29 8.56 0.00 -0.78 -4.71 120.51 119.48 3kjm n ALA 247 Ca 0.10 -0.89 -0.12 0.00 0.00 0.00 0.00 53.44 52.53 3kjm n ALA 247 Cb 0.52 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 3kjm n ALA 247 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kjm s ARG 248 N -2.54 0.87 -0.14 0.00 0.52 -0.36 -1.13 118.95 116.17 3kjm s ARG 248 Ca -0.22 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 53.69 3kjm s ARG 248 Cb 0.08 -0.37 0.02 0.00 0.52 0.00 0.00 34.95 35.20 3kjm s ARG 248 CO 0.73 0.03 -0.13 0.00 0.02 0.00 0.00 175.30 175.95 3kjm s ALA 249 N -3.21 1.75 -0.18 2.13 0.00 -0.07 -1.64 121.76 120.54 3kjm s ALA 249 Ca 0.11 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 3kjm s ALA 249 Cb 0.02 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3kjm s ALA 249 CO -0.02 -0.38 1.11 0.50 0.00 0.00 0.00 175.76 176.97 3kjm s ARG 250 N 1.51 4.28 -0.22 0.00 6.06 -0.36 -2.32 118.95 127.91 3kjm s ARG 250 Ca 0.05 1.47 0.02 0.00 -2.50 0.00 0.00 55.73 54.77 3kjm s ARG 250 Cb -0.13 -3.66 0.04 0.00 0.06 0.00 0.00 34.95 31.26 3kjm s ARG 250 CO -0.10 -0.60 -0.16 -0.46 -2.50 0.00 0.00 175.30 171.49 3kjm s TRP 251 N 3.05 2.99 0.02 5.12 -0.11 0.75 -0.99 118.94 129.78 3kjm s TRP 251 Ca 0.48 -1.93 0.08 0.00 1.22 0.00 0.00 56.10 55.95 3kjm s TRP 251 Cb -0.18 -1.93 -0.02 0.00 -1.50 0.00 0.00 33.47 29.84 3kjm s TRP 251 CO 0.11 -0.84 -0.23 0.54 -4.62 0.00 0.00 176.95 171.92 3kjm s VAL 252 N 1.21 1.84 -0.07 5.86 0.11 0.53 0.44 120.40 130.33 3kjm s VAL 252 Ca -0.01 -1.18 0.06 0.00 -2.93 0.00 0.00 61.98 57.92 3kjm s VAL 252 Cb -0.16 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 33.11 3kjm s VAL 252 CO -0.09 0.35 -0.25 -0.13 -3.33 0.00 0.00 175.10 171.65 3kjm s ARG 253 N -0.99 2.65 -0.09 1.54 0.52 0.56 -1.02 118.95 122.13 3kjm s ARG 253 Ca 0.09 -0.90 0.04 0.00 -0.52 0.00 0.00 55.73 54.44 3kjm s ARG 253 Cb -0.09 -2.19 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 3kjm s ARG 253 CO 0.01 0.34 -0.23 -0.51 0.02 0.00 0.00 175.30 174.94 3kjm s LEU 254 N -0.07 2.18 -0.13 2.53 1.02 -0.47 -0.35 118.68 123.39 3kjm s LEU 254 Ca -0.07 -0.51 -0.05 0.00 0.02 0.00 0.00 54.13 53.53 3kjm s LEU 254 Cb -0.15 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 3kjm s LEU 254 CO 0.05 0.19 0.04 -0.69 0.02 0.00 0.00 176.35 175.96 3kjm s VAL 255 N 0.16 4.64 0.07 -1.59 1.01 -0.71 -1.08 120.40 122.89 3kjm s VAL 255 Ca -0.12 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3kjm s VAL 255 Cb -0.16 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3kjm s VAL 255 CO 0.07 0.54 -0.14 -0.31 0.00 0.00 0.00 175.10 175.26 3kjm s TYR 256 N -0.31 1.20 -0.64 5.22 2.02 0.76 -1.74 117.35 123.85 3kjm s TYR 256 Ca 0.08 -0.46 0.08 0.00 -0.37 0.00 0.00 57.07 56.40 3kjm s TYR 256 Cb -0.12 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.73 3kjm s TYR 256 CO 0.02 0.05 0.50 0.25 -1.57 0.00 0.00 175.55 174.80 3kjm n THR 257 N 1.28 0.00 -3.92 -0.71 -2.24 -1.26 -0.99 114.28 106.44 3kjm n THR 257 Ca -0.21 -0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 60.85 3kjm n THR 257 Cb 0.54 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.69 3kjm n THR 257 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kjm s ASP 258 N -1.44 4.35 0.26 3.42 2.15 -1.26 -4.88 116.67 119.28 3kjm s ASP 258 Ca 0.06 -0.65 -0.05 0.00 0.43 0.00 0.00 52.55 52.34 3kjm s ASP 258 Cb 0.07 -1.71 0.32 0.00 -0.30 0.00 0.00 42.92 41.29 3kjm s ASP 258 CO 0.26 -0.09 1.92 0.15 -0.17 0.00 0.00 175.17 177.24 3kjm h PHE 259 N 8.08 1.16 -0.63 -5.34 3.57 -1.94 -1.77 116.94 120.06 3kjm h PHE 259 Ca -0.37 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.17 3kjm h PHE 259 Cb 1.13 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3kjm h PHE 259 CO 0.58 0.76 0.38 0.00 -2.23 0.00 0.00 178.31 177.80 3kjm h ALA 260 N 1.38 0.83 -0.29 2.41 0.00 -1.99 0.88 119.26 122.48 3kjm h ALA 260 Ca 0.32 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3kjm h ALA 260 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kjm h ALA 260 CO -0.06 0.10 -0.16 0.00 0.00 0.00 0.00 179.25 179.13 3kjm h ALA 261 N 1.29 0.41 0.15 0.00 0.00 -1.88 -1.76 119.26 117.47 3kjm h ALA 261 Ca 0.26 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kjm h ALA 261 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3kjm h ALA 261 CO -0.13 0.31 -0.27 0.35 0.00 0.00 0.00 179.25 179.52 3kjm h PHE 262 N 0.37 -0.73 -0.57 0.00 3.57 -1.02 -1.26 116.94 117.30 3kjm h PHE 262 Ca 0.06 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 3kjm h PHE 262 Cb 0.68 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 3kjm h PHE 262 CO 0.06 -0.38 -0.08 0.66 -2.23 0.00 0.00 178.31 176.34 3kjm h SER 263 N -0.50 1.06 -0.77 0.41 4.64 -0.86 -2.04 113.55 115.48 3kjm h SER 263 Ca 0.02 -0.34 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3kjm h SER 263 Cb 0.51 -0.29 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 3kjm h SER 263 CO -0.14 1.15 0.48 0.00 -0.87 0.00 0.00 176.83 177.44 3kjm h ALA 264 N 0.95 0.98 -0.23 5.18 0.00 -1.25 -1.89 119.26 123.00 3kjm h ALA 264 Ca 0.15 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3kjm h ALA 264 Cb 0.65 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kjm h ALA 264 CO 0.05 0.44 -0.45 -0.44 0.00 0.00 0.00 179.25 178.84 3kjm h ASP 265 N 1.05 0.62 -0.49 0.00 3.32 -1.04 -0.43 116.42 119.46 3kjm h ASP 265 Ca 0.28 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3kjm h ASP 265 Cb -0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3kjm h ASP 265 CO -0.05 0.98 0.28 1.56 -1.72 0.00 0.00 179.24 180.29 3kjm h GLN 266 N 0.46 0.67 -0.38 3.56 4.20 -1.20 -0.77 115.11 121.65 3kjm h GLN 266 Ca 0.03 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 3kjm h GLN 266 Cb 0.97 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3kjm h GLN 266 CO 0.09 0.51 -0.14 0.93 -0.67 0.00 0.00 178.83 179.55 3kjm h GLU 267 N 0.65 0.69 -0.32 1.46 5.08 -1.19 -2.28 114.58 118.68 3kjm h GLU 267 Ca 0.17 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kjm h GLU 267 Cb 0.02 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3kjm h GLU 267 CO -0.03 0.80 0.19 -0.09 -1.00 0.00 0.00 179.01 178.88 3kjm h ARG 268 N 0.62 0.43 0.00 2.33 2.43 -0.82 0.39 114.38 119.77 3kjm h ARG 268 Ca 0.10 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3kjm h ARG 268 Cb 0.59 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3kjm h ARG 268 CO 0.04 0.34 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.76 3kjm h LEU 269 N 0.41 0.00 -0.84 3.80 3.38 -0.93 -3.22 115.31 117.91 3kjm h LEU 269 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kjm h LEU 269 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kjm h LEU 269 CO -0.02 0.00 -0.05 0.35 0.09 0.00 0.00 178.44 178.81 3kjm n THR 270 N -3.09 0.00 -2.24 0.22 -2.24 -0.88 -4.59 114.28 101.46 3kjm n THR 270 Ca -0.00 -0.47 -0.38 0.00 -2.27 0.00 0.00 64.05 60.92 3kjm n THR 270 Cb 0.24 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.53 3kjm n THR 270 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kjm s ALA 271 N -0.67 3.12 0.44 6.98 0.00 0.11 -4.90 121.76 126.84 3kjm s ALA 271 Ca 0.04 1.00 -0.24 0.00 0.00 0.00 0.00 51.96 52.77 3kjm s ALA 271 Cb 0.04 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 3kjm s ALA 271 CO 0.09 -0.62 1.16 -1.25 0.00 0.00 0.00 175.76 175.14 3kjm s PRO 272 N -2.39 3.86 0.58 0.00 0.04 -1.26 -4.30 135.00 131.53 3kjm s PRO 272 Ca 0.59 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 63.25 3kjm s PRO 272 Cb -0.31 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 3kjm s PRO 272 CO 0.39 -0.47 1.04 1.03 0.04 0.00 0.00 177.00 179.03 3kjm s ARG 273 N -2.58 3.49 -1.12 4.56 1.81 0.33 -4.98 118.95 120.44 3kjm s ARG 273 Ca 0.62 1.10 -0.07 0.00 -1.72 0.00 0.00 55.73 55.65 3kjm s ARG 273 Cb -0.29 -2.06 -0.06 0.00 -0.45 0.00 0.00 34.95 32.09 3kjm s ARG 273 CO 0.35 -0.67 2.36 -2.30 -0.68 0.00 0.00 175.30 174.36 3kjm n PRO 274 N -2.00 2.56 0.00 3.54 -0.02 -1.26 -4.39 135.00 133.43 3kjm n PRO 274 Ca 0.08 -1.68 0.00 0.00 -2.02 0.00 0.00 63.50 59.88 3kjm n PRO 274 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3kjm n PRO 274 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kjm n ALA 279 N 4.04 0.00 -3.00 3.55 0.00 -1.26 -5.14 120.51 118.70 3kjm n ALA 279 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3kjm n ALA 279 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3kjm n ALA 279 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kjm n SER 280 N 0.00 0.00 -4.53 0.00 3.41 -1.26 -5.14 113.62 106.11 3kjm n SER 280 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 3kjm n SER 280 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 3kjm n SER 280 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kjm s PHE 281 N 2.93 2.46 0.00 7.33 0.08 -1.26 0.12 117.98 129.64 3kjm s PHE 281 Ca 0.00 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.76 3kjm s PHE 281 Cb 0.00 -1.11 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 3kjm s PHE 281 CO 0.00 0.63 0.00 0.41 -0.10 0.00 0.00 175.22 176.16 3kjm n GLY 282 N -0.47 -3.22 0.19 4.36 0.00 -1.26 -4.90 105.19 99.88 3kjm n GLY 282 Ca -0.07 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 44.94 3kjm n GLY 282 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kjm h PRO 283 N 0.00 0.00 -6.68 1.61 0.13 -1.99 -3.46 132.00 121.60 3kjm h PRO 283 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3kjm h PRO 283 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 3kjm h PRO 283 CO 0.00 0.23 0.82 -1.64 -0.23 0.00 0.00 178.00 177.17 3kjm s MET 284 N -3.21 4.24 0.21 0.86 -1.94 -1.26 -4.83 119.30 113.37 3kjm s MET 284 Ca 0.05 2.34 0.16 0.00 -1.71 0.00 0.00 55.69 56.53 3kjm s MET 284 Cb 0.07 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.79 3kjm s MET 284 CO 0.69 -0.51 1.22 0.77 -0.01 0.00 0.00 175.02 177.17 3kjm h SER 285 N 5.84 0.00 -3.14 3.03 0.02 -1.41 -3.47 113.55 114.43 3kjm h SER 285 Ca -0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3kjm h SER 285 Cb 1.21 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.53 3kjm h SER 285 CO 0.84 0.47 -0.06 -0.47 -1.14 0.00 0.00 176.83 176.47 3kjm s TYR 286 N -2.99 -0.92 -0.06 3.45 5.04 -1.23 -4.34 117.35 116.30 3kjm s TYR 286 Ca 0.02 1.90 -0.02 0.00 -2.44 0.00 0.00 57.07 56.52 3kjm s TYR 286 Cb 0.08 0.51 0.03 0.00 0.35 0.00 0.00 41.96 42.93 3kjm s TYR 286 CO 0.77 -0.47 0.03 0.08 -1.34 0.00 0.00 175.55 174.62 3kjm s VAL 287 N 1.47 0.15 0.13 3.14 1.01 -0.33 -1.61 120.40 124.37 3kjm s VAL 287 Ca -0.09 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3kjm s VAL 287 Cb -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3kjm s VAL 287 CO -0.16 0.22 0.06 -0.62 0.00 0.00 0.00 175.10 174.60 3kjm n GLU 288 N 5.18 0.60 -3.49 2.72 1.02 0.44 -4.49 120.64 122.62 3kjm n GLU 288 Ca -0.06 -1.16 -0.11 0.00 -0.02 0.00 0.00 57.16 55.80 3kjm n GLU 288 Cb 0.50 0.73 -0.02 0.00 -0.02 0.00 0.00 31.44 32.63 3kjm n GLU 288 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kjm s GLY 289 N -1.84 -0.52 0.03 0.62 0.00 -0.84 -1.11 107.32 103.66 3kjm s GLY 289 Ca 0.09 0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.19 3kjm s GLY 289 CO 0.06 0.10 -0.11 -0.56 0.00 0.00 0.00 173.10 172.59 3kjm s SER 290 N -2.78 1.26 -0.13 1.64 0.01 0.63 -1.55 113.70 112.77 3kjm s SER 290 Ca 0.03 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 3kjm s SER 290 Cb -0.01 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 3kjm s SER 290 CO -0.10 0.00 -0.06 -0.69 0.41 0.00 0.00 173.24 172.80 3kjm s VAL 291 N -0.75 3.68 -0.18 3.43 1.01 0.25 -1.36 120.40 126.48 3kjm s VAL 291 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3kjm s VAL 291 Cb -0.07 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.75 3kjm s VAL 291 CO 0.01 0.52 -0.19 -0.36 0.00 0.00 0.00 175.10 175.08 3kjm s PHE 292 N 0.09 2.79 0.24 5.22 0.08 0.10 -4.28 117.98 122.22 3kjm s PHE 292 Ca -0.02 -1.56 -0.25 0.00 0.12 0.00 0.00 56.93 55.22 3kjm s PHE 292 Cb -0.14 -1.93 -0.09 0.00 -0.57 0.00 0.00 43.02 40.30 3kjm s PHE 292 CO 0.03 -0.77 0.85 0.14 -0.10 0.00 0.00 175.22 175.37 3kjm s VAL 293 N 1.26 4.30 0.29 -0.44 -7.23 -1.26 -0.30 120.40 117.03 3kjm s VAL 293 Ca 0.04 1.74 0.02 0.00 -1.81 0.00 0.00 61.98 61.96 3kjm s VAL 293 Cb -0.13 -4.08 0.29 0.00 0.56 0.00 0.00 36.38 33.01 3kjm s VAL 293 CO -0.11 0.34 1.86 -1.13 -0.31 0.00 0.00 175.10 175.75 3kjm h ASN 294 N 3.75 0.91 -0.75 4.85 -1.24 -1.33 -3.00 115.58 118.78 3kjm h ASN 294 Ca -0.47 0.03 0.11 0.00 0.71 0.00 0.00 56.30 56.68 3kjm h ASN 294 Cb 1.20 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 40.04 3kjm h ASN 294 CO 0.66 0.52 0.49 -0.61 -1.29 0.00 0.00 177.43 177.20 3kjm h GLN 295 N 1.00 0.59 -0.14 6.67 5.75 -1.91 -2.34 115.11 124.73 3kjm h GLN 295 Ca 0.46 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.81 3kjm h GLN 295 Cb 0.41 -0.13 -0.12 0.00 1.07 0.00 0.00 27.48 28.71 3kjm h GLN 295 CO -0.22 0.39 -0.63 -1.13 -2.65 0.00 0.00 178.83 174.59 3kjm n SER 296 N -4.50 2.18 0.13 -0.69 3.41 -1.17 -4.91 113.62 108.07 3kjm n SER 296 Ca 0.13 -3.64 -0.13 0.00 -0.26 0.00 0.00 58.87 54.97 3kjm n SER 296 Cb 0.37 -0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 3kjm n SER 296 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kjm h LEU 297 N 1.24 -0.71 -0.49 1.04 5.85 -1.28 -0.78 115.31 120.17 3kjm h LEU 297 Ca 0.03 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3kjm h LEU 297 Cb 1.19 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 3kjm h LEU 297 CO 0.14 -0.36 0.31 0.00 -0.34 0.00 0.00 178.44 178.20 3kjm h ALA 298 N 0.21 0.63 -0.30 1.25 0.00 -1.91 -0.52 119.26 118.63 3kjm h ALA 298 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kjm h ALA 298 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kjm h ALA 298 CO -0.11 0.09 0.13 1.15 0.00 0.00 0.00 179.25 180.51 3kjm h THR 299 N 0.66 1.16 -0.42 0.00 2.02 -1.93 -2.19 112.91 112.23 3kjm h THR 299 Ca 0.18 -0.48 -0.15 0.00 0.77 0.00 0.00 66.41 66.73 3kjm h THR 299 Cb -0.04 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3kjm h THR 299 CO -0.04 0.17 -0.32 0.44 0.37 0.00 0.00 175.52 176.15 3kjm h ASP 300 N 0.34 0.99 -0.52 4.18 3.32 -0.93 -1.04 116.42 122.77 3kjm h ASP 300 Ca 0.10 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 3kjm h ASP 300 Cb 0.14 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3kjm h ASP 300 CO -0.01 1.22 0.30 -0.07 -1.72 0.00 0.00 179.24 178.96 3kjm h LEU 301 N 0.79 0.63 -1.41 1.55 3.38 -1.09 -2.52 115.31 116.63 3kjm h LEU 301 Ca 0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kjm h LEU 301 Cb 0.90 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3kjm h LEU 301 CO 0.08 0.51 -0.18 0.00 0.09 0.00 0.00 178.44 178.94 3kjm h ALA 302 N 1.14 1.52 -0.00 1.53 0.00 -1.23 -2.82 119.26 119.39 3kjm h ALA 302 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kjm h ALA 302 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kjm h ALA 302 CO -0.03 0.35 -0.02 0.09 0.00 0.00 0.00 179.25 179.63 3kjm n ASN 303 N -4.25 0.36 0.26 0.00 3.02 -0.41 -3.60 115.26 110.64 3kjm n ASN 303 Ca -0.01 -0.89 0.12 0.00 -0.03 0.00 0.00 54.58 53.77 3kjm n ASN 303 Cb 0.29 -0.05 0.68 0.00 -0.61 0.00 0.00 39.78 40.09 3kjm n ASN 303 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3kjm h THR 304 N 0.53 0.60 0.00 3.41 1.35 -1.22 -3.46 112.91 114.12 3kjm h THR 304 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3kjm h THR 304 Cb 0.20 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3kjm h THR 304 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 3kjm n GLY 305 N -0.62 0.36 0.54 5.82 0.00 -1.24 -4.84 105.19 105.21 3kjm n GLY 305 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 3kjm n GLY 305 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kjm n PHE 306 N -2.57 0.00 -2.81 1.61 7.35 -1.26 -5.03 117.46 114.75 3kjm n PHE 306 Ca 0.00 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 3kjm n PHE 306 Cb 0.16 -0.53 -0.06 0.00 0.35 0.00 0.00 39.48 39.40 3kjm n PHE 306 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3kjm s PHE 307 N -2.27 3.89 0.77 -5.13 0.08 -1.26 -5.07 117.98 108.99 3kjm s PHE 307 Ca -0.21 1.82 -0.12 0.00 0.12 0.00 0.00 56.93 58.54 3kjm s PHE 307 Cb 0.08 -2.92 0.05 0.00 -0.57 0.00 0.00 43.02 39.67 3kjm s PHE 307 CO 0.26 0.41 1.15 0.95 -0.10 0.00 0.00 175.22 177.89 3kjm s THR 308 N -1.29 2.60 0.49 0.64 -4.23 -1.26 -4.83 115.64 107.76 3kjm s THR 308 Ca 0.42 0.19 0.21 0.00 -1.18 0.00 0.00 61.69 61.33 3kjm s THR 308 Cb -0.23 -3.19 0.26 0.00 1.34 0.00 0.00 72.50 70.68 3kjm s THR 308 CO 0.29 -0.25 2.11 0.44 -0.54 0.00 0.00 174.62 176.66 3kjm h ASP 309 N -0.90 0.00 -0.49 3.99 3.32 -1.97 -1.22 116.42 119.15 3kjm h ASP 309 Ca -0.46 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 3kjm h ASP 309 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 3kjm h ASP 309 CO 0.65 0.09 -0.13 0.00 -1.72 0.00 0.00 179.24 178.12 3kjm h ALA 310 N 1.91 0.67 -0.31 3.45 0.00 -2.00 -2.30 119.26 120.69 3kjm h ALA 310 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3kjm h ALA 310 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kjm h ALA 310 CO 0.01 0.60 0.09 -0.44 0.00 0.00 0.00 179.25 179.51 3kjm h ASP 311 N 0.81 0.45 -0.21 0.00 3.32 -1.67 -2.91 116.42 116.21 3kjm h ASP 311 Ca 0.12 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.99 3kjm h ASP 311 Cb 0.69 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3kjm h ASP 311 CO 0.05 0.55 0.02 0.58 -1.72 0.00 0.00 179.24 178.72 3kjm h VAL 312 N 0.34 0.87 -1.00 -1.35 2.07 -1.22 -1.40 116.25 114.56 3kjm h VAL 312 Ca 0.10 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3kjm h VAL 312 Cb 0.26 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3kjm h VAL 312 CO -0.00 0.02 0.65 0.00 0.02 0.00 0.00 177.57 178.26 3kjm h ALA 313 N 1.17 1.34 -0.35 1.67 0.00 -1.41 -0.31 119.26 121.37 3kjm h ALA 313 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3kjm h ALA 313 Cb 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3kjm h ALA 313 CO -0.15 0.53 -0.04 0.00 0.00 0.00 0.00 179.25 179.59 3kjm h ARG 314 N 1.25 0.65 -0.44 0.00 3.08 -1.26 -1.56 114.38 116.10 3kjm h ARG 314 Ca 0.41 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 3kjm h ARG 314 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3kjm h ARG 314 CO -0.14 0.79 -0.20 0.82 -1.07 0.00 0.00 179.97 180.17 3kjm h ILE 315 N 0.45 1.27 -0.38 2.04 2.04 -0.98 -0.89 117.51 121.07 3kjm h ILE 315 Ca 0.10 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.61 3kjm h ILE 315 Cb 0.52 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3kjm h ILE 315 CO 0.03 0.46 0.25 0.58 0.00 0.00 0.00 178.15 179.46 3kjm h VAL 316 N 0.75 1.08 -0.49 1.67 2.07 -1.04 -0.53 116.25 119.76 3kjm h VAL 316 Ca 0.10 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3kjm h VAL 316 Cb 0.77 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3kjm h VAL 316 CO 0.06 0.09 0.30 0.00 0.02 0.00 0.00 177.57 178.04 3kjm h ALA 317 N 1.15 0.63 -0.54 1.67 0.00 -1.16 -1.95 119.26 119.05 3kjm h ALA 317 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3kjm h ALA 317 Cb -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3kjm h ALA 317 CO -0.04 0.01 0.23 1.25 0.00 0.00 0.00 179.25 180.70 3kjm h LEU 318 N 0.60 0.29 -0.65 0.00 5.85 -0.74 -0.72 115.31 119.95 3kjm h LEU 318 Ca 0.19 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3kjm h LEU 318 Cb -0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3kjm h LEU 318 CO -0.08 0.20 0.42 0.00 -0.34 0.00 0.00 178.44 178.64 3kjm h ALA 319 N 1.33 0.83 -0.79 1.25 0.00 -0.78 -1.28 119.26 119.80 3kjm h ALA 319 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3kjm h ALA 319 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kjm h ALA 319 CO -0.22 0.27 0.30 0.78 0.00 0.00 0.00 179.25 180.38 3kjm h GLY 320 N 0.88 1.28 0.92 0.00 0.00 -0.87 -0.05 103.07 105.24 3kjm h GLY 320 Ca 0.24 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3kjm h GLY 320 CO -0.05 0.67 0.11 0.83 0.00 0.00 0.00 176.54 178.11 3kjm h GLU 321 N 1.16 0.37 -0.00 4.80 5.08 -0.77 -2.89 114.58 122.33 3kjm h GLU 321 Ca 0.26 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3kjm h GLU 321 Cb 0.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3kjm h GLU 321 CO -0.02 0.38 -0.06 0.54 -1.00 0.00 0.00 179.01 178.85 3kjm n ARG 322 N -4.80 0.40 -3.77 2.33 5.12 -0.52 -4.93 116.66 110.50 3kjm n ARG 322 Ca -0.03 -0.07 -0.25 0.00 -1.93 0.00 0.00 57.85 55.57 3kjm n ARG 322 Cb 0.11 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 29.95 3kjm n ARG 322 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kjm n ASN 323 N -1.24 -3.38 -4.74 0.55 5.15 -0.18 -4.96 115.26 106.47 3kjm n ASN 323 Ca 0.12 -0.76 -0.40 0.00 -0.60 0.00 0.00 54.58 52.94 3kjm n ASN 323 Cb 0.28 -4.16 -0.05 0.00 -0.53 0.00 0.00 39.78 35.32 3kjm n ASN 323 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kjm s ALA 324 N -3.45 3.30 -0.74 5.20 0.00 -0.36 -4.94 121.76 120.77 3kjm s ALA 324 Ca 0.35 0.43 0.24 0.00 0.00 0.00 0.00 51.96 52.99 3kjm s ALA 324 Cb -0.17 -3.14 0.35 0.00 0.00 0.00 0.00 23.12 20.16 3kjm s ALA 324 CO 0.81 0.02 1.31 0.25 0.00 0.00 0.00 175.76 178.14 3kjm n THR 325 N 2.81 0.22 -3.88 0.00 -2.24 -1.26 -4.79 114.28 105.14 3kjm n THR 325 Ca 0.00 -0.19 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 3kjm n THR 325 Cb 0.50 0.03 -0.13 0.00 -2.10 0.00 0.00 70.33 68.63 3kjm n THR 325 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kjm s THR 326 N -3.12 0.03 0.05 4.28 -4.23 -1.26 -0.90 115.64 110.48 3kjm s THR 326 Ca 0.07 -0.25 0.09 0.00 -1.18 0.00 0.00 61.69 60.42 3kjm s THR 326 Cb 0.15 -0.14 -0.03 0.00 1.34 0.00 0.00 72.50 73.81 3kjm s THR 326 CO 0.73 -0.14 -0.26 -0.69 -0.54 0.00 0.00 174.62 173.72 3kjm s VAL 327 N -0.41 2.17 0.01 2.29 1.01 0.59 -4.77 120.40 121.29 3kjm s VAL 327 Ca -0.05 -1.39 0.07 0.00 0.00 0.00 0.00 61.98 60.62 3kjm s VAL 327 Cb -0.03 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3kjm s VAL 327 CO -0.00 0.36 -0.22 -0.31 0.00 0.00 0.00 175.10 174.93 3kjm s TYR 328 N -0.81 1.99 -0.08 5.22 2.02 -0.16 0.01 117.35 125.53 3kjm s TYR 328 Ca 0.12 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 3kjm s TYR 328 Cb -0.10 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.24 3kjm s TYR 328 CO 0.02 0.02 -0.06 0.45 -1.57 0.00 0.00 175.55 174.41 3kjm s SER 329 N -0.77 1.76 0.19 2.29 0.15 -0.47 -0.17 113.70 116.68 3kjm s SER 329 Ca 0.09 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.22 3kjm s SER 329 Cb -0.09 -0.67 -0.08 0.00 -1.71 0.00 0.00 66.02 63.48 3kjm s SER 329 CO 0.00 -0.11 1.02 -0.63 1.20 0.00 0.00 173.24 174.73 3kjm s ILE 330 N 1.50 4.04 -0.16 6.45 1.01 -0.25 -0.27 121.20 133.52 3kjm s ILE 330 Ca -0.01 1.85 0.01 0.00 0.00 0.00 0.00 60.65 62.50 3kjm s ILE 330 Cb -0.13 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.17 3kjm s ILE 330 CO -0.04 0.36 -0.18 -0.70 0.00 0.00 0.00 174.94 174.37 3kjm s GLU 331 N -0.63 3.09 0.04 2.79 2.12 -0.26 -1.37 118.70 124.47 3kjm s GLU 331 Ca 0.46 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 54.96 3kjm s GLU 331 Cb -0.27 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 3kjm s GLU 331 CO 0.34 -0.06 0.01 0.00 -0.54 0.00 0.00 175.26 175.01 3kjm s ALA 332 N 0.97 0.20 0.12 6.30 0.00 -0.19 -0.42 121.76 128.74 3kjm s ALA 332 Ca -0.03 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3kjm s ALA 332 Cb -0.15 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3kjm s ALA 332 CO -0.04 -0.29 -0.10 0.95 0.00 0.00 0.00 175.76 176.28 3kjm s THR 333 N -2.77 1.03 -0.19 0.00 -4.23 -0.63 -0.35 115.64 108.50 3kjm s THR 333 Ca -0.04 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 3kjm s THR 333 Cb -0.00 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.24 3kjm s THR 333 CO -0.06 -0.68 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.49 3kjm s LEU 334 N -2.86 2.10 0.17 4.79 1.43 -0.17 -0.98 118.68 123.17 3kjm s LEU 334 Ca 0.12 -0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 52.12 3kjm s LEU 334 Cb 0.01 -1.16 -0.08 0.00 0.03 0.00 0.00 46.19 44.99 3kjm s LEU 334 CO -0.00 -0.15 0.86 0.20 0.23 0.00 0.00 176.35 177.49 3kjm s ASN 335 N 1.45 7.48 0.19 2.29 0.01 -1.26 -1.22 114.94 123.88 3kjm s ASN 335 Ca -0.00 1.76 -0.16 0.00 -0.71 0.00 0.00 52.86 53.75 3kjm s ASN 335 Cb -0.16 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.97 3kjm s ASN 335 CO -0.08 0.13 0.47 -0.72 -1.51 0.00 0.00 177.10 175.39 3kjm s TYR 336 N -0.85 -0.00 0.44 2.20 -0.85 -0.65 -5.00 117.35 112.64 3kjm s TYR 336 Ca 0.40 -0.35 0.06 0.00 -0.52 0.00 0.00 57.07 56.66 3kjm s TYR 336 Cb -0.24 0.30 0.07 0.00 0.38 0.00 0.00 41.96 42.47 3kjm s TYR 336 CO 0.28 -0.88 0.60 -0.40 -1.52 0.00 0.00 175.55 173.64 3kjm n ASP 337 N -0.32 1.50 0.00 -0.18 5.68 -1.26 -1.22 116.55 120.75 3kjm n ASP 337 Ca -0.09 -2.10 0.09 0.00 -0.50 0.00 0.00 54.79 52.18 3kjm n ASP 337 Cb 0.62 -0.33 0.48 0.00 -1.14 0.00 0.00 41.12 40.76 3kjm n ASP 337 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3kjm n ASN 338 N -2.55 0.00 -4.52 -1.12 3.02 -1.26 -4.79 115.26 104.03 3kjm n ASN 338 Ca 0.12 -0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.06 3kjm n ASN 338 Cb 0.44 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.44 3kjm n ASN 338 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kjm n ALA 339 N -1.18 -0.81 0.12 5.41 0.00 -1.26 -4.87 120.51 117.91 3kjm n ALA 339 Ca 0.10 0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.78 3kjm n ALA 339 Cb 0.11 -1.91 0.43 0.00 0.00 0.00 0.00 19.45 18.09 3kjm n ALA 339 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3kjm h THR 340 N 1.13 1.14 0.00 0.00 1.35 -2.06 -2.59 112.91 111.88 3kjm h THR 340 Ca -0.42 -0.55 -0.16 0.00 -0.55 0.00 0.00 66.41 64.73 3kjm h THR 340 Cb 1.37 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 68.81 3kjm h THR 340 CO 0.54 0.18 -0.83 0.00 -0.25 0.00 0.00 175.52 175.16 3kjm h ALA 341 N 1.71 0.53 -0.85 6.62 0.00 -1.97 -3.39 119.26 121.92 3kjm h ALA 341 Ca 0.06 -0.72 0.20 0.00 0.00 0.00 0.00 54.91 54.44 3kjm h ALA 341 Cb 0.23 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.84 3kjm h ALA 341 CO 0.01 0.96 0.34 0.00 0.00 0.00 0.00 179.25 180.56 3kjm h ALA 342 N 1.25 1.30 -0.59 0.00 0.00 -1.77 0.38 119.26 119.83 3kjm h ALA 342 Ca -0.03 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kjm h ALA 342 Cb 1.60 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 3kjm h ALA 342 CO 0.09 -0.32 0.34 0.00 0.00 0.00 0.00 179.25 179.37 3kjm h ALA 343 N 1.67 0.78 -0.24 0.00 0.00 -1.76 0.83 119.26 120.54 3kjm h ALA 343 Ca 0.51 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.25 3kjm h ALA 343 Cb 0.93 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kjm h ALA 343 CO -0.51 0.03 -0.55 0.00 0.00 0.00 0.00 179.25 178.22 3kjm h ALA 344 N 1.29 0.39 -0.77 0.00 0.00 -1.28 -1.91 119.26 116.97 3kjm h ALA 344 Ca 0.25 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3kjm h ALA 344 Cb 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3kjm h ALA 344 CO -0.14 0.60 0.40 0.00 0.00 0.00 0.00 179.25 180.11 3kjm h ALA 345 N 0.63 1.25 -0.13 0.00 0.00 -0.82 -1.14 119.26 119.05 3kjm h ALA 345 Ca -0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 3kjm h ALA 345 Cb 1.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kjm h ALA 345 CO 0.12 0.59 -0.71 0.28 0.00 0.00 0.00 179.25 179.53 3kjm h VAL 346 N 1.09 1.33 -0.81 0.00 2.07 -0.84 -0.88 116.25 118.20 3kjm h VAL 346 Ca 0.27 -2.01 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 3kjm h VAL 346 Cb 0.06 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3kjm h VAL 346 CO -0.04 0.62 0.51 0.44 0.02 0.00 0.00 177.57 179.12 3kjm h ASP 347 N 0.40 0.96 -0.06 0.57 3.45 -1.03 0.53 116.42 121.25 3kjm h ASP 347 Ca -0.03 -0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.34 3kjm h ASP 347 Cb 1.30 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 3kjm h ASP 347 CO 0.13 0.73 -0.11 1.56 -1.57 0.00 0.00 179.24 179.98 3kjm h GLN 348 N 1.11 0.18 -0.49 3.56 7.50 -1.16 -1.64 115.11 124.16 3kjm h GLN 348 Ca 0.29 -0.11 0.06 0.00 0.50 0.00 0.00 58.65 59.39 3kjm h GLN 348 Cb -0.07 0.01 -0.05 0.00 0.05 0.00 0.00 27.48 27.42 3kjm h GLN 348 CO -0.06 0.69 0.21 1.49 -1.50 0.00 0.00 178.83 179.66 3kjm h GLU 349 N -0.32 0.40 -0.00 1.46 4.57 -1.11 -0.59 114.58 118.98 3kjm h GLU 349 Ca 0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3kjm h GLU 349 Cb 0.69 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3kjm h GLU 349 CO 0.02 0.26 -0.00 1.25 -1.18 0.00 0.00 179.01 179.37 3kjm h LEU 350 N 0.41 0.01 -1.00 1.64 5.85 -0.93 -0.92 115.31 120.36 3kjm h LEU 350 Ca 0.23 -0.32 0.14 0.00 0.84 0.00 0.00 57.88 58.77 3kjm h LEU 350 Cb 0.20 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 3kjm h LEU 350 CO -0.20 0.33 0.63 0.00 -0.34 0.00 0.00 178.44 178.85 3kjm h ALA 351 N 0.68 1.56 0.04 1.25 0.00 -1.19 0.22 119.26 121.82 3kjm h ALA 351 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kjm h ALA 351 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kjm h ALA 351 CO 0.00 0.15 -0.02 0.77 0.00 0.00 0.00 179.25 180.15 3kjm h SER 352 N 0.93 -0.04 -0.11 0.00 0.02 -0.92 -2.66 113.55 110.76 3kjm h SER 352 Ca 0.52 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.33 3kjm h SER 352 Cb 0.61 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3kjm h SER 352 CO -0.30 0.12 0.04 0.58 -1.14 0.00 0.00 176.83 176.13 3kjm h VAL 353 N -0.21 0.97 -0.03 2.27 2.07 -0.34 -2.85 116.25 118.13 3kjm h VAL 353 Ca -0.01 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3kjm h VAL 353 Cb 0.19 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3kjm h VAL 353 CO 0.01 0.02 -0.01 -0.07 0.02 0.00 0.00 177.57 177.54 3kjm h LEU 354 N 0.09 0.03 -1.55 2.57 3.38 -0.62 -1.99 115.31 117.21 3kjm h LEU 354 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kjm h LEU 354 Cb 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kjm h LEU 354 CO -0.05 0.05 0.00 1.23 0.09 0.00 0.00 178.44 179.76 3kjm h GLY 355 N 0.11 0.00 -0.00 0.83 0.00 -1.22 -2.22 103.07 100.57 3kjm h GLY 355 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3kjm h GLY 355 CO 0.00 0.00 -0.28 -1.30 0.00 0.00 0.00 176.54 174.96 3kjm n THR 356 N -2.74 0.00 -3.12 4.70 -2.24 -0.75 -4.98 114.28 105.15 3kjm n THR 356 Ca 0.00 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 3kjm n THR 356 Cb 0.20 0.54 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 3kjm n THR 356 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kjm s LEU 357 N -2.47 3.72 -0.15 3.22 1.43 -0.84 -5.05 118.68 118.54 3kjm s LEU 357 Ca 0.24 -0.26 0.15 0.00 -1.03 0.00 0.00 54.13 53.23 3kjm s LEU 357 Cb 0.19 -2.74 0.40 0.00 0.03 0.00 0.00 46.19 44.06 3kjm s LEU 357 CO 0.52 -0.69 1.19 -1.20 0.23 0.00 0.00 176.35 176.40 3kjm n SER 358 N -1.85 1.55 -4.73 2.29 7.64 -1.26 -5.06 113.62 112.20 3kjm n SER 358 Ca 0.05 -3.34 -0.31 0.00 1.01 0.00 0.00 58.87 56.28 3kjm n SER 358 Cb 0.59 -0.46 0.12 0.00 -1.01 0.00 0.00 64.21 63.45 3kjm n SER 358 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3kjm s TYR 359 N -2.37 2.31 0.12 1.43 -0.85 -1.26 -4.91 117.35 111.82 3kjm s TYR 359 Ca 0.35 1.53 -0.32 0.00 -0.52 0.00 0.00 57.07 58.11 3kjm s TYR 359 Cb 0.35 -3.13 -0.12 0.00 0.38 0.00 0.00 41.96 39.45 3kjm s TYR 359 CO -0.08 -2.17 1.78 0.28 -1.52 0.00 0.00 175.55 173.84 3kjm n VAL 360 N -3.78 0.27 -1.61 -3.49 0.31 -0.71 -4.83 118.33 104.49 3kjm n VAL 360 Ca 0.09 -0.05 -0.52 0.00 -0.01 0.00 0.00 64.34 63.85 3kjm n VAL 360 Cb 0.53 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.42 3kjm n VAL 360 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kjm n GLU 361 N 5.11 1.28 -0.76 5.55 2.13 -1.26 -0.90 120.64 131.79 3kjm n GLU 361 Ca 0.18 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.46 3kjm n GLU 361 Cb 0.35 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 29.93 3kjm n GLU 361 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kjm n GLY 362 N 2.82 0.81 2.56 8.31 0.00 -1.26 -4.95 105.19 113.48 3kjm n GLY 362 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3kjm n GLY 362 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kjm n PHE 363 N -2.20 3.13 -4.01 1.61 3.72 -0.08 -4.92 117.46 114.72 3kjm n PHE 363 Ca 0.00 -2.67 -0.35 0.00 -0.05 0.00 0.00 57.45 54.37 3kjm n PHE 363 Cb 0.00 -0.78 -0.11 0.00 -0.94 0.00 0.00 39.48 37.64 3kjm n PHE 363 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kjm s ALA 364 N -3.81 3.24 -0.11 4.37 0.00 -1.26 -1.75 121.76 122.45 3kjm s ALA 364 Ca 0.53 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.63 3kjm s ALA 364 Cb 0.44 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.66 3kjm s ALA 364 CO -0.21 -0.04 -0.20 -0.06 0.00 0.00 0.00 175.76 175.24 3kjm s PHE 365 N 0.80 2.31 -0.07 0.00 0.08 0.53 -4.99 117.98 116.64 3kjm s PHE 365 Ca 0.03 -1.02 0.03 0.00 0.12 0.00 0.00 56.93 56.09 3kjm s PHE 365 Cb -0.14 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 3kjm s PHE 365 CO 0.02 -0.46 -0.18 -1.14 -0.10 0.00 0.00 175.22 173.37 3kjm s GLN 366 N 0.62 2.23 0.23 0.44 0.74 -1.26 -0.32 119.66 122.34 3kjm s GLN 366 Ca -0.13 -0.63 0.08 0.00 0.05 0.00 0.00 55.36 54.72 3kjm s GLN 366 Cb -0.16 -1.78 -0.05 0.00 1.10 0.00 0.00 33.01 32.11 3kjm s GLN 366 CO 0.04 0.13 -0.13 1.03 -0.55 0.00 0.00 175.29 175.81 3kjm s ARG 367 N 0.40 1.40 -0.13 1.67 1.81 0.17 -5.00 118.95 119.28 3kjm s ARG 367 Ca -0.14 -1.64 -0.04 0.00 -1.72 0.00 0.00 55.73 52.19 3kjm s ARG 367 Cb -0.16 -1.16 0.06 0.00 -0.45 0.00 0.00 34.95 33.24 3kjm s ARG 367 CO 0.05 0.16 0.14 0.34 -0.68 0.00 0.00 175.30 175.31 3kjm s ASP 368 N -3.36 1.39 0.19 0.23 2.15 -1.26 -0.17 116.67 115.85 3kjm s ASP 368 Ca 0.24 -0.09 0.03 0.00 0.43 0.00 0.00 52.55 53.16 3kjm s ASP 368 Cb -0.00 0.08 -0.05 0.00 -0.30 0.00 0.00 42.92 42.65 3kjm s ASP 368 CO 0.08 -0.29 -0.00 0.68 -0.17 0.00 0.00 175.17 175.47 3kjm s VAL 369 N 2.24 0.82 0.52 1.11 -7.23 -0.98 -5.01 120.40 111.87 3kjm s VAL 369 Ca 0.04 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.98 3kjm s VAL 369 Cb -0.14 -2.20 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 3kjm s VAL 369 CO -0.07 -0.42 1.30 0.00 -0.31 0.00 0.00 175.10 175.60 3kjm s ALA 370 N -3.56 2.87 0.20 1.32 0.00 -1.26 -0.90 121.76 120.43 3kjm s ALA 370 Ca 0.26 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 3kjm s ALA 370 Cb 0.06 -3.51 0.18 0.00 0.00 0.00 0.00 23.12 19.85 3kjm s ALA 370 CO 0.06 -1.15 1.83 -0.92 0.00 0.00 0.00 175.76 175.58 3kjm h TYR 371 N 1.65 0.75 -0.25 0.00 3.20 -1.39 -2.11 116.97 118.82 3kjm h TYR 371 Ca -0.50 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.31 3kjm h TYR 371 Cb 1.28 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3kjm h TYR 371 CO 0.48 0.42 -0.20 0.00 -1.64 0.00 0.00 178.16 177.22 3kjm h ALA 372 N 1.30 1.20 -0.26 1.82 0.00 -1.89 -1.51 119.26 119.91 3kjm h ALA 372 Ca 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kjm h ALA 372 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kjm h ALA 372 CO -0.12 0.52 0.14 0.00 0.00 0.00 0.00 179.25 179.79 3kjm h ALA 373 N 1.39 0.33 0.04 0.00 0.00 -1.80 -1.64 119.26 117.58 3kjm h ALA 373 Ca 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kjm h ALA 373 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kjm h ALA 373 CO 0.04 -0.13 -0.02 0.35 0.00 0.00 0.00 179.25 179.49 3kjm h PHE 374 N 0.30 -0.05 -0.26 0.00 3.57 -1.15 -2.43 116.94 116.93 3kjm h PHE 374 Ca 0.09 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3kjm h PHE 374 Cb 0.07 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3kjm h PHE 374 CO -0.03 -0.03 0.17 -0.07 -2.23 0.00 0.00 178.31 176.12 3kjm h LEU 375 N -0.06 0.28 -3.44 0.59 3.38 -1.14 -2.16 115.31 112.77 3kjm h LEU 375 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kjm h LEU 375 Cb 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kjm h LEU 375 CO 0.01 0.20 0.00 -0.67 0.09 0.00 0.00 178.44 178.07 3kjm n ASP 376 N -4.50 5.12 -0.24 -0.43 2.03 -0.63 -4.65 116.55 113.25 3kjm n ASP 376 Ca 0.01 -2.90 0.18 0.00 0.52 0.00 0.00 54.79 52.61 3kjm n ASP 376 Cb 0.08 -0.63 0.49 0.00 -0.72 0.00 0.00 41.12 40.35 3kjm n ASP 376 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 3kjm h ARG 377 N 3.40 0.43 0.00 -0.67 0.11 -0.88 0.06 114.38 116.83 3kjm h ARG 377 Ca 0.00 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 3kjm h ARG 377 Cb 1.77 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.76 3kjm h ARG 377 CO 0.39 0.28 -0.01 0.28 0.10 0.00 0.00 179.97 181.01 3kjm h VAL 378 N 0.44 1.67 0.00 0.08 2.07 -1.83 -1.80 116.25 116.88 3kjm h VAL 378 Ca 0.47 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 3kjm h VAL 378 Cb 1.11 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.88 3kjm h VAL 378 CO -0.18 0.51 -0.21 -0.74 0.02 0.00 0.00 177.57 176.97 3kjm h HIS 379 N -0.83 0.00 -0.56 1.57 -0.00 -1.86 -1.01 115.15 112.46 3kjm h HIS 379 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.47 3kjm h HIS 379 Cb 0.84 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.18 3kjm h HIS 379 CO 0.22 0.21 0.14 0.78 -0.00 0.00 0.00 177.93 179.28 3kjm h GLY 380 N 0.70 0.72 1.35 5.26 0.00 -0.88 -1.32 103.07 108.91 3kjm h GLY 380 Ca -0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 3kjm h GLY 380 CO 0.03 -0.07 -0.54 -2.09 0.00 0.00 0.00 176.54 173.87 3kjm h GLU 381 N 0.29 0.69 -0.67 4.80 4.22 -0.49 -2.35 114.58 121.05 3kjm h GLU 381 Ca 0.29 -0.43 0.05 0.00 0.08 0.00 0.00 59.36 59.35 3kjm h GLU 381 Cb 0.39 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3kjm h GLU 381 CO -0.35 1.05 0.38 1.49 -2.18 0.00 0.00 179.01 179.40 3kjm h GLU 382 N 0.53 0.70 -0.11 1.92 4.81 -0.70 0.39 114.58 122.11 3kjm h GLU 382 Ca 0.01 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 3kjm h GLU 382 Cb 1.11 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3kjm h GLU 382 CO 0.11 0.46 -0.77 0.28 -0.73 0.00 0.00 179.01 178.36 3kjm h VAL 383 N 0.72 1.32 0.17 0.32 2.07 -1.32 -3.19 116.25 116.34 3kjm h VAL 383 Ca 0.29 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 3kjm h VAL 383 Cb 0.15 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3kjm h VAL 383 CO -0.17 0.64 -0.08 0.00 0.02 0.00 0.00 177.57 177.98 3kjm h ALA 384 N 0.71 -0.23 0.00 1.67 0.00 -0.79 -3.44 119.26 117.18 3kjm h ALA 384 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kjm h ALA 384 Cb 1.38 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3kjm h ALA 384 CO 0.15 -0.46 -0.04 1.28 0.00 0.00 0.00 179.25 180.18 3kjm n LEU 385 N -5.04 0.11 -3.89 0.00 4.77 0.12 -5.06 117.00 108.02 3kjm n LEU 385 Ca -0.09 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.63 3kjm n LEU 385 Cb 0.23 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3kjm n LEU 385 CO 0.32 0.02 -0.19 -3.20 -1.33 0.00 0.00 177.39 173.00 3kjm n ASN 386 N -1.37 -1.27 0.21 -1.43 5.15 0.05 -4.86 115.26 111.75 3kjm n ASN 386 Ca 0.00 -1.00 0.15 0.00 -0.60 0.00 0.00 54.58 53.14 3kjm n ASN 386 Cb 0.02 -3.17 0.80 0.00 -0.53 0.00 0.00 39.78 36.91 3kjm n ASN 386 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3kjm h LYS 387 N -1.87 0.00 -0.01 1.20 1.57 -1.91 -1.23 116.57 114.32 3kjm h LYS 387 Ca -0.64 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 3kjm h LYS 387 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3kjm h LYS 387 CO 0.59 0.00 -0.01 1.28 -0.57 0.00 0.00 179.45 180.74 3kjm n LEU 388 N -4.00 1.33 -3.66 2.94 4.32 -1.26 -4.95 117.00 111.71 3kjm n LEU 388 Ca 0.01 -0.44 -0.23 0.00 -0.02 0.00 0.00 56.01 55.33 3kjm n LEU 388 Cb 0.26 -0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.11 3kjm n LEU 388 CO 0.30 0.22 0.09 0.61 -1.22 0.00 0.00 177.39 177.39 3kjm n GLY 389 N 1.16 -0.41 3.68 -0.72 0.00 -0.47 -4.75 105.19 103.68 3kjm n GLY 389 Ca 0.19 0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.94 3kjm n GLY 389 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjm n LEU 390 N -4.51 3.76 -1.12 0.99 4.77 -1.26 -0.51 117.00 119.12 3kjm n LEU 390 Ca -0.15 1.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.69 3kjm n LEU 390 Cb 0.61 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.15 3kjm n LEU 390 CO 0.68 0.05 -0.14 0.79 -1.33 0.00 0.00 177.39 177.43 3kjm n TRP 391 N 5.40 0.00 0.00 -1.77 7.02 -1.26 -4.81 117.44 122.02 3kjm n TRP 391 Ca 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 3kjm n TRP 391 Cb 0.34 -2.60 0.00 0.00 -2.42 0.00 0.00 31.31 26.64 3kjm n TRP 391 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 3kjm n ARG 392 N -2.53 0.75 -4.34 -0.99 0.63 0.34 -5.11 116.66 105.41 3kjm n ARG 392 Ca -0.15 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.61 3kjm n ARG 392 Cb 0.48 -0.76 -0.10 0.00 0.45 0.00 0.00 32.46 32.53 3kjm n ARG 392 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3kjm s VAL 393 N -1.52 1.00 0.49 5.15 -7.23 -0.54 -5.08 120.40 112.67 3kjm s VAL 393 Ca 0.00 -2.03 -0.23 0.00 -1.81 0.00 0.00 61.98 57.92 3kjm s VAL 393 Cb 0.00 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.46 3kjm s VAL 393 CO 0.00 -0.26 1.25 -2.84 -0.31 0.00 0.00 175.10 172.94 3kjm s PRO 394 N -3.88 3.54 -0.55 4.82 0.02 -1.26 -4.74 135.00 132.96 3kjm s PRO 394 Ca 0.30 1.98 0.04 0.00 0.02 0.00 0.00 61.00 63.34 3kjm s PRO 394 Cb 0.06 -2.38 0.16 0.00 0.02 0.00 0.00 34.50 32.36 3kjm s PRO 394 CO 0.10 -0.79 0.37 -1.01 -0.33 0.00 0.00 177.00 175.34 3kjm s HIS 395 N -1.43 2.46 -1.37 6.54 3.76 0.05 -1.73 115.29 123.57 3kjm s HIS 395 Ca 0.66 -2.82 -0.12 0.00 -0.15 0.00 0.00 55.06 52.64 3kjm s HIS 395 Cb -0.34 -2.01 -0.05 0.00 1.11 0.00 0.00 32.58 31.29 3kjm s HIS 395 CO 0.41 -0.70 2.50 -0.35 -0.85 0.00 0.00 174.74 175.75 3kjm n PRO 396 N 2.69 2.96 -2.41 8.40 -0.04 -1.22 -4.74 135.00 140.63 3kjm n PRO 396 Ca 0.19 -2.16 -0.39 0.00 -0.04 0.00 0.00 63.50 61.09 3kjm n PRO 396 Cb 0.38 -2.90 -0.04 0.00 -0.04 0.00 0.00 33.50 30.90 3kjm n PRO 396 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3kjm s TRP 397 N 2.98 3.37 -0.21 0.54 0.52 -1.26 -4.54 118.94 120.34 3kjm s TRP 397 Ca 0.57 1.63 0.02 0.00 0.02 0.00 0.00 56.10 58.33 3kjm s TRP 397 Cb 0.15 -3.33 0.04 0.00 -1.15 0.00 0.00 33.47 29.18 3kjm s TRP 397 CO -0.05 -0.86 -0.15 -1.17 0.02 0.00 0.00 176.95 174.75 3kjm s LEU 398 N -1.86 2.55 -0.08 2.99 2.96 -0.24 -5.00 118.68 120.00 3kjm s LEU 398 Ca 0.49 -0.93 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3kjm s LEU 398 Cb -0.31 -1.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 3kjm s LEU 398 CO 0.40 -0.10 -0.23 0.20 -1.32 0.00 0.00 176.35 175.31 3kjm s ASN 399 N 1.27 2.87 0.12 3.68 0.01 -1.26 0.20 114.94 121.82 3kjm s ASN 399 Ca -0.01 -0.50 -0.16 0.00 -0.71 0.00 0.00 52.86 51.48 3kjm s ASN 399 Cb -0.16 -1.10 0.03 0.00 0.41 0.00 0.00 41.25 40.44 3kjm s ASN 399 CO -0.09 0.17 0.40 0.00 -1.51 0.00 0.00 177.10 176.07 3kjm s MET 400 N 0.18 1.06 -0.21 -0.60 0.23 -0.01 -1.16 119.30 118.79 3kjm s MET 400 Ca -0.12 -0.70 -0.06 0.00 -1.03 0.00 0.00 55.69 53.77 3kjm s MET 400 Cb -0.16 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 3kjm s MET 400 CO 0.06 -0.41 0.04 -0.06 -2.03 0.00 0.00 175.02 172.62 3kjm s PHE 401 N -3.76 3.12 -0.19 3.16 0.08 0.25 -0.34 117.98 120.30 3kjm s PHE 401 Ca 0.03 -0.25 -0.01 0.00 0.12 0.00 0.00 56.93 56.81 3kjm s PHE 401 Cb 0.02 -2.12 -0.00 0.00 -0.57 0.00 0.00 43.02 40.35 3kjm s PHE 401 CO -0.12 -0.13 -0.11 0.08 -0.10 0.00 0.00 175.22 174.84 3kjm s VAL 402 N 0.94 2.89 0.33 -0.44 1.01 0.39 -1.66 120.40 123.87 3kjm s VAL 402 Ca 0.03 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3kjm s VAL 402 Cb -0.14 -2.27 -0.12 0.00 0.00 0.00 0.00 36.38 33.85 3kjm s VAL 402 CO 0.02 0.48 1.28 -0.81 0.00 0.00 0.00 175.10 176.07 3kjm n PRO 403 N 4.46 2.08 -0.33 2.72 -0.04 -1.26 -0.09 135.00 142.54 3kjm n PRO 403 Ca -0.19 0.73 0.15 0.00 -0.04 0.00 0.00 63.50 64.15 3kjm n PRO 403 Cb 0.51 -2.30 0.34 0.00 -0.04 0.00 0.00 33.50 32.00 3kjm n PRO 403 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3kjm h ARG 404 N 2.58 0.52 0.00 0.54 2.43 -1.57 -1.50 114.38 117.37 3kjm h ARG 404 Ca -0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3kjm h ARG 404 Cb 1.29 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3kjm h ARG 404 CO 0.63 0.35 0.00 0.66 -1.51 0.00 0.00 179.97 180.09 3kjm h SER 405 N 0.54 0.00 -0.08 -3.80 4.64 -1.89 -2.65 113.55 110.31 3kjm h SER 405 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3kjm h SER 405 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3kjm h SER 405 CO -0.48 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.02 3kjm n ARG 406 N -2.48 1.56 0.12 4.77 5.12 -0.58 -4.71 116.66 120.46 3kjm n ARG 406 Ca 0.00 -1.31 0.01 0.00 -1.93 0.00 0.00 57.85 54.62 3kjm n ARG 406 Cb 0.16 -1.09 0.32 0.00 -1.16 0.00 0.00 32.46 30.69 3kjm n ARG 406 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 3kjm h ILE 407 N 0.78 1.24 -0.25 0.55 6.09 -1.33 -0.48 117.51 124.11 3kjm h ILE 407 Ca 0.00 -1.15 -0.16 0.00 -1.37 0.00 0.00 64.86 62.18 3kjm h ILE 407 Cb 0.42 1.47 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 3kjm h ILE 407 CO 0.00 0.35 -0.48 0.00 -3.07 0.00 0.00 178.15 174.95 3kjm h ALA 408 N 1.53 0.69 -0.65 0.18 0.00 -1.84 0.05 119.26 119.22 3kjm h ALA 408 Ca 0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 3kjm h ALA 408 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kjm h ALA 408 CO 0.04 0.67 0.11 -0.44 0.00 0.00 0.00 179.25 179.64 3kjm h ASP 409 N 0.53 1.01 -0.26 0.00 3.32 -1.77 -1.94 116.42 117.31 3kjm h ASP 409 Ca 0.03 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3kjm h ASP 409 Cb 1.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3kjm h ASP 409 CO 0.10 1.00 0.10 0.15 -1.72 0.00 0.00 179.24 178.87 3kjm h PHE 410 N 1.00 0.41 -0.39 4.55 3.57 -0.86 -0.54 116.94 124.67 3kjm h PHE 410 Ca 0.20 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.74 3kjm h PHE 410 Cb 0.41 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 3kjm h PHE 410 CO 0.03 0.42 0.00 0.22 -2.23 0.00 0.00 178.31 176.75 3kjm h ASP 411 N 0.27 -0.16 -0.13 0.41 3.58 -0.86 0.69 116.42 120.22 3kjm h ASP 411 Ca 0.09 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 3kjm h ASP 411 Cb 0.19 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 3kjm h ASP 411 CO -0.01 -0.04 0.06 0.03 -2.88 0.00 0.00 179.24 176.40 3kjm h ARG 412 N 0.11 0.18 0.00 0.28 3.08 -1.20 -0.05 114.38 116.78 3kjm h ARG 412 Ca 0.19 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 3kjm h ARG 412 Cb 0.27 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3kjm h ARG 412 CO -0.32 0.25 -0.66 0.78 -1.07 0.00 0.00 179.97 178.95 3kjm h GLY 413 N 0.07 0.00 0.00 0.04 0.00 -0.91 -2.71 103.07 99.56 3kjm h GLY 413 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3kjm h GLY 413 CO -0.01 0.00 -0.46 -0.62 0.00 0.00 0.00 176.54 175.46 3kjm n VAL 414 N -3.55 1.14 -0.11 4.60 0.31 0.22 -1.83 118.33 119.11 3kjm n VAL 414 Ca -0.00 0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3kjm n VAL 414 Cb 0.70 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.72 3kjm n VAL 414 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3kjm h PHE 415 N -0.46 1.06 -0.33 3.52 0.04 -1.35 -0.58 116.94 118.85 3kjm h PHE 415 Ca 0.00 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.45 3kjm h PHE 415 Cb 0.46 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3kjm h PHE 415 CO -0.20 1.13 0.00 1.63 -0.60 0.00 0.00 178.31 180.27 3kjm n LYS 416 N -4.11 2.29 0.00 1.51 5.02 -0.14 -4.30 118.16 118.44 3kjm n LYS 416 Ca -0.03 -1.95 0.00 0.00 -2.02 0.00 0.00 58.31 54.31 3kjm n LYS 416 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3kjm n LYS 416 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kjm n GLY 417 N 1.40 0.98 0.32 0.72 0.00 -1.02 -4.82 105.19 102.77 3kjm n GLY 417 Ca 0.18 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.24 3kjm n GLY 417 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kjm h ILE 418 N 0.00 0.71 0.00 -0.61 2.04 -1.10 -1.90 117.51 116.65 3kjm h ILE 418 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3kjm h ILE 418 Cb 0.00 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3kjm h ILE 418 CO 0.00 0.12 -0.02 0.18 0.00 0.00 0.00 178.15 178.44 3kjm n LEU 419 N -4.85 0.45 -4.75 1.44 4.32 -0.25 -4.85 117.00 108.51 3kjm n LEU 419 Ca 0.19 0.53 -0.41 0.00 -0.02 0.00 0.00 56.01 56.30 3kjm n LEU 419 Cb 0.48 -0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 3kjm n LEU 419 CO 0.21 -0.09 0.88 -1.10 -1.22 0.00 0.00 177.39 176.06 3kjm s GLN 420 N -3.06 4.51 -0.00 3.23 -1.52 -0.72 -3.26 119.66 118.84 3kjm s GLN 420 Ca 0.12 1.93 0.00 0.00 -1.95 0.00 0.00 55.36 55.46 3kjm s GLN 420 Cb 0.15 -3.19 0.00 0.00 -0.22 0.00 0.00 33.01 29.75 3kjm s GLN 420 CO 0.57 -0.02 0.00 0.41 -0.25 0.00 0.00 175.29 176.00 3kjm n GLY 421 N 1.66 0.46 3.50 3.09 0.00 -1.26 -5.00 105.19 107.64 3kjm n GLY 421 Ca 0.02 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 3kjm n GLY 421 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kjm s THR 422 N -2.00 2.82 -0.22 2.61 -4.23 -1.20 -5.11 115.64 108.30 3kjm s THR 422 Ca 0.00 -1.82 -0.19 0.00 -1.18 0.00 0.00 61.69 58.50 3kjm s THR 422 Cb 0.00 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 3kjm s THR 422 CO 0.00 -0.11 0.55 -1.81 -0.54 0.00 0.00 174.62 172.71 3kjm s ASP 423 N -2.75 6.55 -0.18 3.99 1.01 -1.26 -4.87 116.67 119.17 3kjm s ASP 423 Ca 0.23 0.67 -0.01 0.00 0.71 0.00 0.00 52.55 54.15 3kjm s ASP 423 Cb -0.08 -2.31 -0.00 0.00 1.01 0.00 0.00 42.92 41.54 3kjm s ASP 423 CO 0.13 -0.25 -0.12 -0.63 0.21 0.00 0.00 175.17 174.50 3kjm s ILE 424 N 1.99 2.83 -0.29 0.77 1.01 -1.26 -5.08 121.20 121.17 3kjm s ILE 424 Ca 0.24 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 3kjm s ILE 424 Cb -0.16 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.12 3kjm s ILE 424 CO 0.09 0.49 0.02 -0.69 0.00 0.00 0.00 174.94 174.86 3kjm s VAL 425 N 1.05 3.39 0.00 2.92 1.01 -1.26 -5.03 120.40 122.48 3kjm s VAL 425 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3kjm s VAL 425 Cb -0.15 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3kjm s VAL 425 CO -0.03 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3kjm n GLY 426 N 4.74 3.99 3.76 4.51 0.00 -1.26 -0.36 105.19 120.59 3kjm n GLY 426 Ca -0.14 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 3kjm n GLY 426 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kjm s PRO 427 N -3.95 3.57 -0.34 1.61 0.02 -1.26 -4.76 135.00 129.89 3kjm s PRO 427 Ca 0.00 1.93 -0.03 0.00 0.02 0.00 0.00 61.00 62.92 3kjm s PRO 427 Cb 0.00 -2.37 0.07 0.00 0.02 0.00 0.00 34.50 32.21 3kjm s PRO 427 CO 0.00 -0.75 0.09 -0.51 -0.33 0.00 0.00 177.00 175.50 3kjm s LEU 428 N -3.16 4.44 -0.14 -5.54 1.43 -1.26 -1.83 118.68 112.61 3kjm s LEU 428 Ca 0.66 -1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 3kjm s LEU 428 Cb -0.33 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3kjm s LEU 428 CO 0.39 -0.37 -0.04 -0.63 0.23 0.00 0.00 176.35 175.93 3kjm s ILE 429 N 1.25 3.89 -0.03 -0.59 1.01 -0.43 -0.58 121.20 125.72 3kjm s ILE 429 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3kjm s ILE 429 Cb -0.21 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 39.61 3kjm s ILE 429 CO -0.01 0.51 0.03 -0.69 0.00 0.00 0.00 174.94 174.78 3kjm s VAL 430 N 0.19 0.02 -0.12 2.92 1.01 -0.60 -0.47 120.40 123.34 3kjm s VAL 430 Ca -0.02 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 3kjm s VAL 430 Cb -0.14 -0.18 0.08 0.00 0.00 0.00 0.00 36.38 36.14 3kjm s VAL 430 CO 0.03 0.14 0.73 -0.72 0.00 0.00 0.00 175.10 175.28 3kjm s TYR 431 N 1.43 -0.66 0.48 5.22 -0.85 -0.87 -1.98 117.35 120.12 3kjm s TYR 431 Ca -0.04 1.30 -0.17 0.00 -0.52 0.00 0.00 57.07 57.63 3kjm s TYR 431 Cb -0.13 0.38 -0.09 0.00 0.38 0.00 0.00 41.96 42.50 3kjm s TYR 431 CO -0.03 -0.51 0.96 -1.25 -1.52 0.00 0.00 175.55 173.20 3kjm s PRO 432 N -0.73 4.01 0.10 -3.49 0.04 -1.26 -0.64 135.00 133.03 3kjm s PRO 432 Ca -0.07 0.97 0.07 0.00 0.04 0.00 0.00 61.00 62.01 3kjm s PRO 432 Cb -0.02 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3kjm s PRO 432 CO 0.06 -0.19 -0.18 -0.51 0.04 0.00 0.00 177.00 176.22 3kjm s LEU 433 N -3.82 2.30 -0.25 -3.56 1.43 0.35 -4.71 118.68 110.43 3kjm s LEU 433 Ca 0.59 -0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 3kjm s LEU 433 Cb -0.10 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 3kjm s LEU 433 CO 0.26 -0.01 0.25 0.20 0.23 0.00 0.00 176.35 177.29 3kjm s ASN 434 N -1.92 6.17 0.43 2.29 0.01 -1.26 -1.94 114.94 118.72 3kjm s ASN 434 Ca 0.04 0.18 0.13 0.00 -0.71 0.00 0.00 52.86 52.50 3kjm s ASN 434 Cb -0.09 -2.15 0.93 0.00 0.41 0.00 0.00 41.25 40.35 3kjm s ASN 434 CO 0.04 -0.04 1.96 0.50 -1.51 0.00 0.00 177.10 178.05 3kjm h LYS 435 N 7.87 0.05 -0.61 -0.60 3.64 -1.35 -2.66 116.57 122.91 3kjm h LYS 435 Ca -0.35 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.18 3kjm h LYS 435 Cb 1.17 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 3kjm h LYS 435 CO 0.63 0.24 0.44 0.66 -2.27 0.00 0.00 179.45 179.15 3kjm h SER 436 N 0.05 0.04 -0.11 4.20 4.64 -1.94 0.29 113.55 120.72 3kjm h SER 436 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3kjm h SER 436 Cb 0.36 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3kjm h SER 436 CO 0.03 0.02 0.00 0.23 -0.87 0.00 0.00 176.83 176.24 3kjm n MET 437 N -4.37 1.55 -4.33 4.77 2.81 -1.00 -4.82 117.12 111.73 3kjm n MET 437 Ca 0.12 -0.82 -0.35 0.00 -1.81 0.00 0.00 57.70 54.84 3kjm n MET 437 Cb 0.66 -1.39 -0.10 0.00 -0.71 0.00 0.00 33.22 31.68 3kjm n MET 437 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 3kjm s TRP 438 N -1.87 3.14 -0.53 2.03 0.52 0.09 -4.31 118.94 118.01 3kjm s TRP 438 Ca 0.33 0.05 -0.19 0.00 0.02 0.00 0.00 56.10 56.31 3kjm s TRP 438 Cb 0.17 -1.87 0.07 0.00 -1.15 0.00 0.00 33.47 30.69 3kjm s TRP 438 CO 0.27 0.30 0.64 0.34 0.02 0.00 0.00 176.95 178.52 3kjm s ASP 439 N -0.39 6.21 0.00 2.95 -1.08 -1.26 -4.92 116.67 118.18 3kjm s ASP 439 Ca 0.07 -1.04 0.16 0.00 -0.52 0.00 0.00 52.55 51.22 3kjm s ASP 439 Cb -0.12 -2.29 0.72 0.00 -1.46 0.00 0.00 42.92 39.76 3kjm s ASP 439 CO 0.02 -0.94 1.49 -0.67 0.52 0.00 0.00 175.17 175.59 3kjm n ASP 440 N 6.20 0.00 0.18 -0.34 2.03 -1.26 -1.61 116.55 121.75 3kjm n ASP 440 Ca -0.07 0.35 0.03 0.00 0.52 0.00 0.00 54.79 55.62 3kjm n ASP 440 Cb 0.45 -0.43 0.32 0.00 -0.72 0.00 0.00 41.12 40.74 3kjm n ASP 440 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3kjm h GLY 441 N 2.69 0.00 -1.10 0.27 0.00 -1.93 -3.45 103.07 99.54 3kjm h GLY 441 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3kjm h GLY 441 CO 0.00 0.00 0.26 1.06 0.00 0.00 0.00 176.54 177.86 3kjm s MET 442 N -3.90 1.39 0.27 4.80 -1.94 -0.63 -4.77 119.30 114.51 3kjm s MET 442 Ca -0.02 0.83 0.01 0.00 -1.71 0.00 0.00 55.69 54.80 3kjm s MET 442 Cb 0.13 -1.82 0.36 0.00 2.01 0.00 0.00 34.83 35.51 3kjm s MET 442 CO 0.72 -2.15 1.72 0.77 -0.01 0.00 0.00 175.02 176.07 3kjm h SER 443 N -1.48 0.59 -2.40 3.03 0.02 -0.68 -3.45 113.55 109.18 3kjm h SER 443 Ca -0.49 -0.19 -0.60 0.00 -0.84 0.00 0.00 61.79 59.68 3kjm h SER 443 Cb 1.28 -0.16 0.07 0.00 0.14 0.00 0.00 62.40 63.73 3kjm h SER 443 CO 0.55 0.79 0.60 0.00 -1.14 0.00 0.00 176.83 177.63 3kjm n ALA 444 N -2.49 0.77 -2.83 3.77 0.00 -1.22 -4.88 120.51 113.63 3kjm n ALA 444 Ca 0.00 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.51 3kjm n ALA 444 Cb 0.39 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.52 3kjm n ALA 444 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kjm s ALA 445 N 0.21 3.82 0.09 0.00 0.00 -1.26 -4.90 121.76 119.72 3kjm s ALA 445 Ca 0.73 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.05 3kjm s ALA 445 Cb -0.71 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3kjm s ALA 445 CO 0.47 0.48 -0.06 0.95 0.00 0.00 0.00 175.76 177.60 3kjm s THR 446 N -0.61 0.61 0.87 0.00 -4.23 -1.26 -4.94 115.64 106.07 3kjm s THR 446 Ca 0.13 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 3kjm s THR 446 Cb -0.12 -1.55 0.12 0.00 1.34 0.00 0.00 72.50 72.29 3kjm s THR 446 CO 0.02 -0.85 1.17 -2.84 -0.54 0.00 0.00 174.62 171.59 3kjm s PRO 447 N -3.63 1.28 0.37 3.99 0.02 -1.26 -4.94 135.00 130.82 3kjm s PRO 447 Ca 0.09 1.64 0.25 0.00 0.02 0.00 0.00 61.00 62.99 3kjm s PRO 447 Cb 0.04 -1.75 0.56 0.00 0.02 0.00 0.00 34.50 33.38 3kjm s PRO 447 CO -0.05 -2.46 1.69 0.66 -0.33 0.00 0.00 177.00 176.51 3kjm h SER 448 N -1.46 0.00 -4.16 2.53 4.64 -1.97 -3.46 113.55 109.66 3kjm h SER 448 Ca -0.44 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.37 3kjm h SER 448 Cb 1.28 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.46 3kjm h SER 448 CO 0.43 0.00 0.40 -1.61 -0.87 0.00 0.00 176.83 175.18 3kjm s GLU 449 N -3.20 3.02 0.41 4.77 2.02 -1.26 -4.94 118.70 119.52 3kjm s GLU 449 Ca 0.08 1.47 0.11 0.00 0.02 0.00 0.00 54.97 56.64 3kjm s GLU 449 Cb 0.08 -1.97 0.88 0.00 0.10 0.00 0.00 34.13 33.22 3kjm s GLU 449 CO 0.63 -1.09 1.97 -0.44 0.02 0.00 0.00 175.26 176.35 3kjm h ASP 450 N 0.47 0.19 -3.53 -0.19 3.32 -1.95 -3.40 116.42 111.32 3kjm h ASP 450 Ca -0.48 -0.03 -0.66 0.00 0.02 0.00 0.00 57.03 55.88 3kjm h ASP 450 Cb 1.25 -0.05 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 3kjm h ASP 450 CO 0.55 0.30 -0.87 -0.69 -1.72 0.00 0.00 179.24 176.81 3kjm s VAL 451 N -4.83 1.92 0.05 -1.35 1.01 -1.26 -1.03 120.40 114.90 3kjm s VAL 451 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3kjm s VAL 451 Cb 0.16 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3kjm s VAL 451 CO 0.72 0.53 -0.04 0.72 0.00 0.00 0.00 175.10 177.03 3kjm s PHE 452 N 0.25 0.50 -0.17 5.22 -0.12 -0.82 -1.39 117.98 121.45 3kjm s PHE 452 Ca -0.14 -0.81 -0.07 0.00 -0.05 0.00 0.00 56.93 55.87 3kjm s PHE 452 Cb -0.16 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 3kjm s PHE 452 CO 0.07 -0.25 0.05 0.71 -0.05 0.00 0.00 175.22 175.74 3kjm s TYR 453 N -2.78 3.23 0.05 3.49 1.51 0.87 0.13 117.35 123.85 3kjm s TYR 453 Ca -0.02 0.05 -0.31 0.00 -1.01 0.00 0.00 57.07 55.78 3kjm s TYR 453 Cb -0.00 -2.04 -0.07 0.00 -0.11 0.00 0.00 41.96 39.74 3kjm s TYR 453 CO -0.05 0.17 1.44 0.00 -1.11 0.00 0.00 175.55 176.00 3kjm s ALA 454 N 0.24 3.60 -0.16 3.71 0.00 0.19 -0.46 121.76 128.88 3kjm s ALA 454 Ca 0.03 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3kjm s ALA 454 Cb -0.12 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.43 3kjm s ALA 454 CO 0.01 -0.85 -0.15 0.08 0.00 0.00 0.00 175.76 174.85 3kjm s VAL 455 N 2.02 1.64 -0.27 0.00 1.01 0.54 -2.05 120.40 123.30 3kjm s VAL 455 Ca 0.66 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3kjm s VAL 455 Cb -0.35 -1.54 0.08 0.00 0.00 0.00 0.00 36.38 34.57 3kjm s VAL 455 CO 0.29 0.45 -0.01 -0.44 0.00 0.00 0.00 175.10 175.39 3kjm s SER 456 N 1.46 4.14 -0.53 3.32 0.01 0.38 -0.83 113.70 121.65 3kjm s SER 456 Ca 0.05 -1.50 -0.16 0.00 1.31 0.00 0.00 55.95 55.65 3kjm s SER 456 Cb -0.13 -1.26 0.11 0.00 0.21 0.00 0.00 66.02 64.95 3kjm s SER 456 CO -0.11 -0.30 0.49 -0.76 0.41 0.00 0.00 173.24 172.98 3kjm s LEU 457 N 1.29 5.98 -0.96 2.44 1.43 0.13 -1.31 118.68 127.68 3kjm s LEU 457 Ca 0.00 -1.64 -0.01 0.00 -1.03 0.00 0.00 54.13 51.46 3kjm s LEU 457 Cb -0.19 -2.22 0.31 0.00 0.03 0.00 0.00 46.19 44.13 3kjm s LEU 457 CO -0.10 -0.83 1.51 0.18 0.23 0.00 0.00 176.35 177.35 3kjm n LEU 458 N 5.33 6.40 -4.70 1.79 4.77 -0.76 -1.08 117.00 128.75 3kjm n LEU 458 Ca -0.13 -5.37 -0.42 0.00 -0.03 0.00 0.00 56.01 50.06 3kjm n LEU 458 Cb 0.41 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 3kjm n LEU 458 CO 0.53 1.96 0.99 -0.36 -1.33 0.00 0.00 177.39 179.17 3kjm s PHE 459 N -3.52 3.21 -0.16 -1.77 0.08 -1.26 -4.00 117.98 110.56 3kjm s PHE 459 Ca 0.37 1.10 -0.09 0.00 0.12 0.00 0.00 56.93 58.43 3kjm s PHE 459 Cb 0.14 -3.53 -0.05 0.00 -0.57 0.00 0.00 43.02 39.02 3kjm s PHE 459 CO -0.03 -1.79 0.15 -1.12 -0.10 0.00 0.00 175.22 172.33 3kjm s SER 460 N 1.36 6.32 -0.11 1.36 0.01 0.52 -3.41 113.70 119.75 3kjm s SER 460 Ca 0.61 0.37 -0.16 0.00 1.31 0.00 0.00 55.95 58.07 3kjm s SER 460 Cb -0.30 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 3kjm s SER 460 CO 0.27 0.29 0.42 -0.55 0.41 0.00 0.00 173.24 174.08 3kjm s SER 461 N -0.31 6.64 0.00 2.44 0.15 -0.71 -4.56 113.70 117.35 3kjm s SER 461 Ca 0.12 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.53 3kjm s SER 461 Cb -0.12 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 3kjm s SER 461 CO 0.01 0.09 0.00 1.33 1.20 0.00 0.00 173.24 175.87 3kjm n VAL 462 N 3.28 0.00 -0.95 4.45 0.24 -1.26 -4.21 118.33 119.88 3kjm n VAL 462 Ca -0.10 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 3kjm n VAL 462 Cb 0.52 -0.00 0.14 0.00 -1.47 0.00 0.00 33.84 33.03 3kjm n VAL 462 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kjm s ALA 463 N -4.00 1.70 0.50 2.33 0.00 -1.26 -4.83 121.76 116.20 3kjm s ALA 463 Ca 0.00 0.73 0.20 0.00 0.00 0.00 0.00 51.96 52.89 3kjm s ALA 463 Cb 0.00 -3.47 1.35 0.00 0.00 0.00 0.00 23.12 21.00 3kjm s ALA 463 CO 0.00 -2.47 2.12 -1.35 0.00 0.00 0.00 175.76 174.06 3kjm h PRO 464 N -1.30 0.00 0.00 0.00 0.11 -2.01 -1.26 132.00 127.54 3kjm h PRO 464 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3kjm h PRO 464 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kjm h PRO 464 CO 0.44 0.07 -0.12 -2.95 -0.21 0.00 0.00 178.00 175.24 3kjm h ASN 465 N 0.00 0.00 -0.36 -2.05 -1.07 -2.00 -2.74 115.58 107.36 3kjm h ASN 465 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.29 3kjm h ASN 465 Cb 0.15 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.38 3kjm h ASN 465 CO 0.01 0.12 -0.10 -0.78 0.07 0.00 0.00 177.43 176.75 3kjm h ASP 466 N 0.00 0.70 -0.06 6.14 -0.00 -1.58 -2.52 116.42 119.10 3kjm h ASP 466 Ca -0.00 -0.37 -0.00 0.00 -0.00 0.00 0.00 57.03 56.66 3kjm h ASP 466 Cb 0.91 -0.19 -0.00 0.00 -0.00 0.00 0.00 39.33 40.05 3kjm h ASP 466 CO 0.02 0.91 0.03 0.25 -0.00 0.00 0.00 179.24 180.45 3kjm h LEU 467 N 0.49 0.08 -0.85 2.28 5.85 -1.21 0.74 115.31 122.68 3kjm h LEU 467 Ca 0.09 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kjm h LEU 467 Cb 0.61 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3kjm h LEU 467 CO 0.04 0.14 0.49 0.00 -0.34 0.00 0.00 178.44 178.76 3kjm h ALA 468 N 0.94 1.09 -0.42 1.25 0.00 -1.60 -0.30 119.26 120.22 3kjm h ALA 468 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kjm h ALA 468 Cb 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kjm h ALA 468 CO -0.00 0.58 0.27 -0.09 0.00 0.00 0.00 179.25 180.01 3kjm h ARG 469 N 1.18 0.56 -0.54 0.00 2.43 -1.19 -1.38 114.38 115.44 3kjm h ARG 469 Ca 0.30 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 3kjm h ARG 469 Cb -0.00 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3kjm h ARG 469 CO -0.05 0.38 0.00 -0.07 -1.51 0.00 0.00 179.97 178.72 3kjm h LEU 470 N 0.56 0.93 -0.93 3.80 3.38 -0.46 0.13 115.31 122.73 3kjm h LEU 470 Ca 0.15 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3kjm h LEU 470 Cb -0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3kjm h LEU 470 CO -0.03 1.01 0.45 1.56 0.09 0.00 0.00 178.44 181.52 3kjm h GLN 471 N 0.83 1.20 -0.44 1.13 4.20 -0.98 -0.52 115.11 120.54 3kjm h GLN 471 Ca 0.15 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 3kjm h GLN 471 Cb 0.53 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3kjm h GLN 471 CO 0.03 0.90 -0.06 1.49 -0.67 0.00 0.00 178.83 180.51 3kjm h GLU 472 N 1.20 0.82 -0.93 1.46 4.57 -0.92 -2.53 114.58 118.26 3kjm h GLU 472 Ca 0.30 -0.29 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3kjm h GLU 472 Cb 0.06 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 3kjm h GLU 472 CO -0.04 0.91 0.61 0.37 -1.18 0.00 0.00 179.01 179.68 3kjm h GLN 473 N 0.66 1.16 -0.53 1.92 4.15 -0.32 0.32 115.11 122.46 3kjm h GLN 473 Ca 0.12 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 3kjm h GLN 473 Cb 0.58 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3kjm h GLN 473 CO 0.03 0.77 0.09 -0.91 -1.93 0.00 0.00 178.83 176.88 3kjm h ASN 474 N 1.19 0.83 -0.57 -0.69 2.35 -0.99 -0.27 115.58 117.44 3kjm h ASN 474 Ca 0.36 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3kjm h ASN 474 Cb -0.03 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 3kjm h ASN 474 CO -0.10 0.88 0.34 0.03 -1.65 0.00 0.00 177.43 176.92 3kjm h ARG 475 N 0.76 0.78 -0.99 0.81 3.08 -0.99 -1.58 114.38 116.25 3kjm h ARG 475 Ca 0.16 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.16 3kjm h ARG 475 Cb 0.39 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 3kjm h ARG 475 CO 0.01 0.57 0.65 -0.09 -1.07 0.00 0.00 179.97 180.04 3kjm h ARG 476 N 0.77 1.25 -0.31 0.04 2.43 -0.69 0.41 114.38 118.27 3kjm h ARG 476 Ca 0.20 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3kjm h ARG 476 Cb -0.00 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 3kjm h ARG 476 CO -0.04 0.83 0.01 0.82 -1.51 0.00 0.00 179.97 180.07 3kjm h ILE 477 N 1.28 1.25 -0.34 1.20 2.04 -0.80 -1.07 117.51 121.09 3kjm h ILE 477 Ca 0.38 -0.93 -0.11 0.00 1.00 0.00 0.00 64.86 65.20 3kjm h ILE 477 Cb -0.05 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3kjm h ILE 477 CO -0.11 0.30 -0.25 -0.07 0.00 0.00 0.00 178.15 178.02 3kjm h LEU 478 N 0.33 0.69 -0.45 1.44 3.38 -0.78 -2.19 115.31 117.74 3kjm h LEU 478 Ca 0.09 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kjm h LEU 478 Cb 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kjm h LEU 478 CO 0.01 0.91 0.29 0.03 0.09 0.00 0.00 178.44 179.78 3kjm h ARG 479 N 0.59 0.59 -0.31 1.13 3.08 -0.12 -0.98 114.38 118.35 3kjm h ARG 479 Ca 0.08 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.14 3kjm h ARG 479 Cb 0.74 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 3kjm h ARG 479 CO 0.06 0.41 -0.00 0.35 -1.07 0.00 0.00 179.97 179.71 3kjm h PHE 480 N 0.60 -0.02 -0.70 3.04 3.57 -0.91 -0.72 116.94 121.81 3kjm h PHE 480 Ca 0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3kjm h PHE 480 Cb -0.05 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3kjm h PHE 480 CO -0.04 -0.05 0.26 0.00 -2.23 0.00 0.00 178.31 176.25 3kjm h ASP 482 N 1.00 -0.19 0.03 0.00 3.32 -0.75 0.15 116.42 119.98 3kjm h ASP 482 Ca 0.23 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 3kjm h ASP 482 Cb 0.24 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3kjm h ASP 482 CO -0.02 -0.11 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.04 3kjm h LEU 483 N -0.14 0.39 0.00 1.55 3.38 -0.97 -2.42 115.31 117.11 3kjm h LEU 483 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kjm h LEU 483 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kjm h LEU 483 CO -0.05 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.15 3kjm n ALA 484 N -2.48 2.28 -1.69 1.53 0.00 -0.09 -4.91 120.51 115.15 3kjm n ALA 484 Ca -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 3kjm n ALA 484 Cb 0.41 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 3kjm n ALA 484 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjm n GLY 485 N 1.10 0.45 3.66 0.00 0.00 -0.58 -5.00 105.19 104.83 3kjm n GLY 485 Ca 0.10 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 3kjm n GLY 485 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjm s ILE 486 N -2.27 4.55 -1.32 -0.61 1.01 -0.06 -4.95 121.20 117.56 3kjm s ILE 486 Ca 0.00 1.87 -0.11 0.00 0.00 0.00 0.00 60.65 62.41 3kjm s ILE 486 Cb 0.00 -4.21 0.14 0.00 0.01 0.00 0.00 42.46 38.40 3kjm s ILE 486 CO 0.00 -0.15 1.92 0.00 0.00 0.00 0.00 174.94 176.71 3kjm n GLN 487 N 6.26 3.42 -2.22 2.79 1.13 -1.26 -4.62 117.38 122.89 3kjm n GLN 487 Ca 0.12 -3.34 -0.27 0.00 -1.94 0.00 0.00 57.00 51.58 3kjm n GLN 487 Cb 0.46 -3.03 0.05 0.00 0.11 0.00 0.00 30.24 27.83 3kjm n GLN 487 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 3kjm s TYR 488 N 1.20 3.11 -0.03 1.08 -0.85 -1.26 -4.52 117.35 116.08 3kjm s TYR 488 Ca 0.42 0.63 0.05 0.00 -0.52 0.00 0.00 57.07 57.64 3kjm s TYR 488 Cb 0.10 -3.01 -0.01 0.00 0.38 0.00 0.00 41.96 39.42 3kjm s TYR 488 CO -0.01 -1.16 -0.17 0.15 -1.52 0.00 0.00 175.55 172.84 3kjm s LYS 489 N -5.18 1.55 0.71 -3.49 -0.14 -0.66 -4.94 119.74 107.59 3kjm s LYS 489 Ca 0.57 -0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 54.47 3kjm s LYS 489 Cb -0.11 -1.43 0.01 0.00 -1.68 0.00 0.00 37.83 34.63 3kjm s LYS 489 CO 0.46 0.31 1.07 0.95 -0.76 0.00 0.00 175.35 177.38 3kjm s THR 490 N -0.20 3.87 -0.02 2.17 -4.23 -1.26 0.84 115.64 116.80 3kjm s THR 490 Ca 0.02 0.61 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 3kjm s THR 490 Cb -0.09 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.32 3kjm s THR 490 CO 0.01 -0.79 -0.04 -0.47 -0.54 0.00 0.00 174.62 172.78 3kjm s TYR 491 N -3.15 0.51 -2.19 3.99 5.04 -0.31 -4.74 117.35 116.50 3kjm s TYR 491 Ca 0.58 -0.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 3kjm s TYR 491 Cb -0.13 -0.41 0.00 0.00 0.35 0.00 0.00 41.96 41.77 3kjm s TYR 491 CO 0.54 -0.07 0.00 0.00 -1.34 0.00 0.00 175.55 174.68 3kjm n ALA 492 N 3.43 -0.34 -2.65 3.97 0.00 -1.26 -4.38 120.51 119.28 3kjm n ALA 492 Ca -0.19 0.33 -0.27 0.00 0.00 0.00 0.00 53.44 53.31 3kjm n ALA 492 Cb 0.55 -2.08 -0.08 0.00 0.00 0.00 0.00 19.45 17.84 3kjm n ALA 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kjm s ALA 493 N -2.80 3.16 -0.06 0.00 0.00 -1.26 -4.67 121.76 116.13 3kjm s ALA 493 Ca 0.00 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.65 3kjm s ALA 493 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 3kjm s ALA 493 CO 0.00 0.51 -0.19 -0.98 0.00 0.00 0.00 175.76 175.09 3kjm s ARG 494 N -2.83 2.59 0.18 0.00 1.04 -1.26 -5.06 118.95 113.61 3kjm s ARG 494 Ca 0.27 -0.80 -0.04 0.00 -1.04 0.00 0.00 55.73 54.11 3kjm s ARG 494 Cb -0.10 -2.29 -0.05 0.00 -2.04 0.00 0.00 34.95 30.47 3kjm s ARG 494 CO 0.18 0.48 0.42 -1.01 -0.04 0.00 0.00 175.30 175.33 3kjm s HIS 495 N -0.37 3.47 -1.38 5.89 3.76 -1.26 -5.01 115.29 120.38 3kjm s HIS 495 Ca 0.03 0.56 0.13 0.00 -0.15 0.00 0.00 55.06 55.63 3kjm s HIS 495 Cb -0.12 -2.01 0.21 0.00 1.11 0.00 0.00 32.58 31.76 3kjm s HIS 495 CO 0.02 0.37 1.07 0.25 -0.85 0.00 0.00 174.74 175.60 3kjm n THR 496 N -0.23 0.41 -4.96 1.30 -2.24 -1.26 -4.63 114.28 102.68 3kjm n THR 496 Ca -0.02 -0.71 -0.28 0.00 -2.27 0.00 0.00 64.05 60.77 3kjm n THR 496 Cb 0.52 0.95 -0.16 0.00 -2.10 0.00 0.00 70.33 69.54 3kjm n THR 496 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kjm s ASP 497 N -1.04 2.44 0.12 3.42 2.15 -1.26 -5.05 116.67 117.44 3kjm s ASP 497 Ca 0.20 -0.40 -0.20 0.00 0.43 0.00 0.00 52.55 52.57 3kjm s ASP 497 Cb 0.12 -0.71 -0.04 0.00 -0.30 0.00 0.00 42.92 41.99 3kjm s ASP 497 CO 0.17 0.17 1.72 -0.09 -0.17 0.00 0.00 175.17 176.97 3kjm h ARG 498 N 6.25 0.03 -0.06 4.34 9.65 -1.92 -2.38 114.38 130.28 3kjm h ARG 498 Ca -0.32 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.56 3kjm h ARG 498 Cb 1.18 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3kjm h ARG 498 CO 0.48 0.02 0.02 0.66 2.80 0.00 0.00 179.97 183.94 3kjm h SER 499 N 0.03 0.07 -0.39 -3.80 4.64 -1.99 -0.96 113.55 111.16 3kjm h SER 499 Ca 0.09 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 3kjm h SER 499 Cb 0.12 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3kjm h SER 499 CO -0.16 0.07 0.01 0.44 -0.87 0.00 0.00 176.83 176.32 3kjm h ASP 500 N 0.08 0.66 -0.54 4.97 3.32 -1.87 -0.95 116.42 122.10 3kjm h ASP 500 Ca 0.02 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 3kjm h ASP 500 Cb 0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3kjm h ASP 500 CO -0.00 0.80 0.09 -0.50 -1.72 0.00 0.00 179.24 177.91 3kjm h TRP 501 N 0.51 0.99 0.03 4.55 4.06 -1.00 0.49 115.95 125.57 3kjm h TRP 501 Ca 0.11 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 3kjm h TRP 501 Cb 0.46 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 3kjm h TRP 501 CO 0.04 0.84 -0.01 0.28 -3.56 0.00 0.00 178.44 176.02 3kjm h VAL 502 N 0.89 1.02 -0.77 1.49 2.07 -1.09 -2.13 116.25 117.73 3kjm h VAL 502 Ca 0.18 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3kjm h VAL 502 Cb 0.39 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3kjm h VAL 502 CO 0.01 0.04 0.51 0.03 0.02 0.00 0.00 177.57 178.18 3kjm h ARG 503 N -0.11 0.94 0.18 1.57 3.08 -1.05 0.31 114.38 119.29 3kjm h ARG 503 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kjm h ARG 503 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3kjm h ARG 503 CO 0.01 0.62 -0.15 1.25 -1.07 0.00 0.00 179.97 180.62 3kjm h HIS 504 N 0.97 -0.40 0.00 3.04 2.76 -0.46 -3.02 115.15 118.03 3kjm h HIS 504 Ca 0.30 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.34 3kjm h HIS 504 Cb 0.00 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 3kjm h HIS 504 CO -0.00 -0.24 -0.60 0.74 -1.30 0.00 0.00 177.93 176.53 3kjm h PHE 505 N -0.35 0.00 0.00 5.26 0.04 -1.31 -3.46 116.94 117.13 3kjm h PHE 505 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kjm h PHE 505 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3kjm h PHE 505 CO -0.12 0.60 0.00 0.41 -0.60 0.00 0.00 178.31 178.60 3kjm n GLY 506 N 1.09 -0.91 0.31 -1.45 0.00 0.09 -4.46 105.19 99.86 3kjm n GLY 506 Ca 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 3kjm n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjm h ALA 507 N 0.00 1.08 -0.23 4.61 0.00 -1.90 0.17 119.26 122.99 3kjm h ALA 507 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3kjm h ALA 507 Cb 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kjm h ALA 507 CO 0.00 0.32 -0.25 0.00 0.00 0.00 0.00 179.25 179.32 3kjm h ALA 508 N 1.35 0.34 -0.19 0.00 0.00 -1.92 -2.46 119.26 116.38 3kjm h ALA 508 Ca 0.33 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3kjm h ALA 508 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kjm h ALA 508 CO -0.13 0.32 -0.28 -0.22 0.00 0.00 0.00 179.25 178.95 3kjm h LYS 509 N 0.28 0.36 -0.50 0.00 3.64 -1.73 -2.86 116.57 115.76 3kjm h LYS 509 Ca 0.04 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3kjm h LYS 509 Cb 0.81 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 3kjm h LYS 509 CO 0.06 0.61 0.29 2.35 -2.27 0.00 0.00 179.45 180.49 3kjm h TRP 510 N 0.32 0.54 -0.75 1.91 2.91 -0.55 -1.66 115.95 118.67 3kjm h TRP 510 Ca 0.05 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.19 3kjm h TRP 510 Cb 0.66 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 29.06 3kjm h TRP 510 CO 0.02 0.30 0.36 -0.91 -1.03 0.00 0.00 178.44 177.18 3kjm h ASN 511 N 0.57 0.45 0.29 2.65 2.35 -1.21 -0.30 115.58 120.38 3kjm h ASN 511 Ca 0.20 0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 3kjm h ASN 511 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3kjm h ASN 511 CO -0.10 0.24 -0.42 0.03 -1.65 0.00 0.00 177.43 175.53 3kjm h ARG 512 N 0.59 0.17 -0.50 0.81 3.08 -1.42 -0.96 114.38 116.16 3kjm h ARG 512 Ca 0.38 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.26 3kjm h ARG 512 Cb 0.45 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3kjm h ARG 512 CO -0.30 0.56 -0.05 0.35 -1.07 0.00 0.00 179.97 179.46 3kjm h PHE 513 N 0.15 1.02 -0.32 3.04 3.57 -0.26 -1.57 116.94 122.57 3kjm h PHE 513 Ca 0.01 -0.20 -0.17 0.00 3.53 0.00 0.00 57.97 61.15 3kjm h PHE 513 Cb 0.80 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 3kjm h PHE 513 CO 0.01 0.96 -0.47 0.28 -2.23 0.00 0.00 178.31 176.87 3kjm h VAL 514 N 0.78 1.28 -0.52 1.41 2.07 -1.00 -1.70 116.25 118.56 3kjm h VAL 514 Ca 0.14 -1.65 0.08 0.00 0.82 0.00 0.00 66.70 66.08 3kjm h VAL 514 Cb 0.59 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3kjm h VAL 514 CO 0.04 0.54 0.16 -0.08 0.02 0.00 0.00 177.57 178.25 3kjm h GLU 515 N 0.68 0.31 0.00 1.57 4.81 -1.02 -0.01 114.58 120.93 3kjm h GLU 515 Ca 0.04 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 3kjm h GLU 515 Cb 1.06 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 3kjm h GLU 515 CO 0.11 0.21 -0.55 0.52 -0.73 0.00 0.00 179.01 178.56 3kjm h MET 516 N 0.32 0.00 -0.42 1.92 2.86 -1.17 -1.89 114.93 116.55 3kjm h MET 516 Ca 0.26 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.82 3kjm h MET 516 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3kjm h MET 516 CO -0.29 0.55 -0.06 -0.22 1.06 0.00 0.00 176.91 177.96 3kjm h LYS 517 N 0.00 0.79 -0.26 1.72 1.63 -0.64 -1.22 116.57 118.58 3kjm h LYS 517 Ca -0.01 -0.28 -0.11 0.00 -0.85 0.00 0.00 60.65 59.41 3kjm h LYS 517 Cb 1.01 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 3kjm h LYS 517 CO 0.07 0.89 -0.29 -0.91 -3.45 0.00 0.00 179.45 175.76 3kjm h ASN 518 N 0.61 0.54 0.01 4.20 2.35 -0.85 0.11 115.58 122.56 3kjm h ASN 518 Ca 0.11 -0.20 -0.23 0.00 -0.55 0.00 0.00 56.30 55.43 3kjm h ASN 518 Cb 0.57 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.80 3kjm h ASN 518 CO 0.03 0.81 -0.88 0.50 -1.65 0.00 0.00 177.43 176.24 3kjm h LYS 519 N 0.46 0.67 0.00 0.81 3.64 -1.29 -3.33 116.57 117.53 3kjm h LYS 519 Ca 0.06 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3kjm h LYS 519 Cb 0.74 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3kjm h LYS 519 CO 0.06 1.23 -1.32 0.66 -2.27 0.00 0.00 179.45 177.81 3kjm n TYR 520 N -3.87 0.00 -3.07 1.91 4.01 -0.47 -4.75 117.16 110.92 3kjm n TYR 520 Ca -0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.48 3kjm n TYR 520 Cb 0.80 -0.19 -0.02 0.00 -0.31 0.00 0.00 39.34 39.62 3kjm n TYR 520 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3kjm n ASP 521 N -1.76 -0.25 0.25 7.72 2.03 0.37 -0.81 116.55 124.09 3kjm n ASP 521 Ca -0.01 -3.05 0.07 0.00 0.52 0.00 0.00 54.79 52.32 3kjm n ASP 521 Cb 0.23 0.02 0.59 0.00 -0.72 0.00 0.00 41.12 41.24 3kjm n ASP 521 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3kjm h PRO 522 N 3.42 0.00 -0.00 -0.67 0.13 -1.63 -0.93 132.00 132.32 3kjm h PRO 522 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3kjm h PRO 522 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3kjm h PRO 522 CO 0.41 0.08 -0.00 1.63 -0.23 0.00 0.00 178.00 179.89 3kjm n LYS 523 N -4.40 0.51 -3.66 0.86 5.02 -1.26 -4.95 118.16 110.28 3kjm n LYS 523 Ca -0.03 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 55.99 3kjm n LYS 523 Cb 0.16 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.71 3kjm n LYS 523 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kjm n ARG 524 N -1.24 -2.33 -0.01 1.97 1.74 -0.36 -4.92 116.66 111.51 3kjm n ARG 524 Ca 0.15 0.54 0.07 0.00 -0.77 0.00 0.00 57.85 57.84 3kjm n ARG 524 Cb 0.23 -4.60 -0.11 0.00 -1.02 0.00 0.00 32.46 26.96 3kjm n ARG 524 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kjm n LEU 525 N -4.11 0.07 -4.75 0.55 4.77 -1.26 -4.93 117.00 107.34 3kjm n LEU 525 Ca -0.16 -0.05 -0.39 0.00 -0.03 0.00 0.00 56.01 55.39 3kjm n LEU 525 Cb 0.62 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 3kjm n LEU 525 CO 0.67 0.02 0.29 -0.76 -1.33 0.00 0.00 177.39 176.28 3kjm s LEU 526 N -3.89 4.38 -1.13 2.23 1.43 -1.26 0.90 118.68 121.33 3kjm s LEU 526 Ca -0.04 1.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.90 3kjm s LEU 526 Cb 0.10 -2.91 0.03 0.00 0.03 0.00 0.00 46.19 43.43 3kjm s LEU 526 CO 0.61 0.05 0.71 -1.20 0.23 0.00 0.00 176.35 176.75 3kjm n SER 527 N 3.05 -4.65 0.27 2.29 7.64 0.16 -4.64 113.62 117.75 3kjm n SER 527 Ca -0.06 -1.16 0.18 0.00 1.01 0.00 0.00 58.87 58.84 3kjm n SER 527 Cb 0.51 -2.20 0.82 0.00 -1.01 0.00 0.00 64.21 62.33 3kjm n SER 527 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kjm h PRO 528 N -2.08 0.00 0.00 1.43 0.13 -1.76 -2.94 132.00 126.78 3kjm h PRO 528 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3kjm h PRO 528 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3kjm h PRO 528 CO 0.48 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.66 3kjm n GLY 529 N -0.37 -1.06 0.24 1.56 0.00 -1.24 -1.63 105.19 102.68 3kjm n GLY 529 Ca -0.00 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3kjm n GLY 529 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kjm h GLN 530 N 0.00 0.00 -3.03 1.61 1.08 -1.70 -3.33 115.11 109.74 3kjm h GLN 530 Ca 0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 3kjm h GLN 530 Cb 0.26 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3kjm h GLN 530 CO 0.00 0.13 -0.48 -0.25 -0.95 0.00 0.00 178.83 177.27 3kjm n ASP 531 N -3.25 -5.32 -0.07 1.46 8.00 -0.65 -4.27 116.55 112.46 3kjm n ASP 531 Ca 0.01 -0.10 -0.21 0.00 0.71 0.00 0.00 54.79 55.20 3kjm n ASP 531 Cb 0.40 -4.31 -0.12 0.00 -0.02 0.00 0.00 41.12 37.07 3kjm n ASP 531 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3kjm h ILE 532 N -0.43 1.03 -0.05 0.53 2.04 -1.83 -3.41 117.51 115.40 3kjm h ILE 532 Ca -0.44 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.17 3kjm h ILE 532 Cb 1.31 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 3kjm h ILE 532 CO 0.50 0.48 0.00 0.49 0.00 0.00 0.00 178.15 179.61 3kjm n PHE 533 N -4.28 0.06 -0.72 1.37 3.72 -1.26 -4.97 117.46 111.38 3kjm n PHE 533 Ca -0.28 -0.48 0.00 0.00 -0.05 0.00 0.00 57.45 56.64 3kjm n PHE 533 Cb 0.73 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 3kjm n PHE 533 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80