#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kc0 n GLY 15 N 0.00 -0.03 0.27 0.00 0.00 -1.26 -3.02 105.19 101.14 2kc0 n GLY 15 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.06 2kc0 n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kc0 h LEU 16 N 0.00 -0.14 -0.33 0.99 3.38 -1.96 -2.29 115.31 114.96 2kc0 h LEU 16 Ca 0.00 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2kc0 h LEU 16 Cb 0.00 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2kc0 h LEU 16 CO 0.00 -0.10 0.08 0.00 0.09 0.00 0.00 178.44 178.51 2kc0 h ALA 17 N 1.64 0.43 -0.24 1.53 0.00 -1.75 -2.67 119.26 118.20 2kc0 h ALA 17 Ca 0.41 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 2kc0 h ALA 17 Cb 0.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2kc0 h ALA 17 CO -0.56 0.10 -0.47 0.22 0.00 0.00 0.00 179.25 178.54 2kc0 h ASP 18 N 0.37 0.69 0.49 0.00 3.58 -1.79 -0.50 116.42 119.27 2kc0 h ASP 18 Ca 0.10 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2kc0 h ASP 18 Cb 0.30 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2kc0 h ASP 18 CO 0.00 1.05 0.00 0.00 -2.88 0.00 0.00 179.24 177.41 2kc0 n ALA 19 N -2.52 1.60 0.11 -0.78 0.00 -0.88 -1.46 120.51 116.59 2kc0 n ALA 19 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.44 2kc0 n ALA 19 Cb 0.56 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 2kc0 n ALA 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kc0 n LEU 20 N -1.65 0.11 0.07 0.00 7.99 -0.94 -4.57 117.00 118.01 2kc0 n LEU 20 Ca 0.03 -0.13 0.05 0.00 -0.01 0.00 0.00 56.01 55.95 2kc0 n LEU 20 Cb 0.16 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.44 2kc0 n LEU 20 CO 0.13 0.03 -0.12 0.71 -1.51 0.00 0.00 177.39 176.64 2kc0 h THR 21 N 0.00 0.28 -4.03 -5.08 1.35 -0.96 -3.41 112.91 101.06 2kc0 h THR 21 Ca 0.00 -1.55 -0.13 0.00 -0.55 0.00 0.00 66.41 64.18 2kc0 h THR 21 Cb 0.37 1.81 -0.17 0.00 -1.73 0.00 0.00 68.15 68.44 2kc0 h THR 21 CO 0.00 0.16 -0.61 0.00 -0.25 0.00 0.00 175.52 174.82 2kc0 s ALA 22 N -3.12 0.21 0.77 6.62 0.00 -0.53 -5.08 121.76 120.62 2kc0 s ALA 22 Ca -0.02 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 2kc0 s ALA 22 Cb 0.09 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.52 2kc0 s ALA 22 CO 0.80 -0.33 1.11 -1.25 0.00 0.00 0.00 175.76 176.08 2kc0 s PRO 23 N -3.10 2.36 0.31 0.00 0.04 -1.26 -4.32 135.00 129.03 2kc0 s PRO 23 Ca -0.01 0.50 0.09 0.00 0.04 0.00 0.00 61.00 61.63 2kc0 s PRO 23 Cb 0.02 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2kc0 s PRO 23 CO -0.07 -1.40 0.02 -0.51 0.04 0.00 0.00 177.00 175.08 2kc0 s LEU 24 N -5.60 3.08 0.65 -3.56 2.01 -1.26 -4.99 118.68 109.01 2kc0 s LEU 24 Ca 0.60 -0.84 0.38 0.00 0.01 0.00 0.00 54.13 54.28 2kc0 s LEU 24 Cb -0.13 -1.53 2.10 0.00 0.01 0.00 0.00 46.19 46.64 2kc0 s LEU 24 CO 0.53 -0.16 2.22 0.44 1.01 0.00 0.00 176.35 180.39 2kc0 h ASP 25 N 1.81 0.00 0.00 2.29 5.19 -1.94 -3.46 116.42 120.30 2kc0 h ASP 25 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2kc0 h ASP 25 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2kc0 h ASP 25 CO 0.64 0.00 0.00 1.57 -3.12 0.00 0.00 179.24 178.33 2kc0 n HIS 26 N -3.20 0.00 -1.26 4.55 -0.00 -1.26 -3.72 115.22 110.32 2kc0 n HIS 26 Ca -0.02 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.84 2kc0 n HIS 26 Cb 0.18 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 30.12 2kc0 n HIS 26 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2kc0 n LYS 27 N 0.00 2.53 0.00 1.57 2.85 -1.26 -4.37 118.16 119.48 2kc0 n LYS 27 Ca 0.00 -2.97 0.00 0.00 -1.05 0.00 0.00 58.31 54.29 2kc0 n LYS 27 Cb 0.00 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.22 2kc0 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kc0 n ASP 28 N -0.67 0.00 0.00 -5.58 2.03 -1.24 -4.88 116.55 106.20 2kc0 n ASP 28 Ca 0.57 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.83 2kc0 n ASP 28 Cb 0.64 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 2kc0 n ASP 28 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2kc0 n LYS 29 N -2.29 0.26 -1.69 -0.67 2.85 -1.26 -5.16 118.16 110.19 2kc0 n LYS 29 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 2kc0 n LYS 29 Cb 0.00 -0.03 0.01 0.00 -0.65 0.00 0.00 35.03 34.36 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kc0 n GLY 30 N -0.07 1.59 3.67 2.58 0.00 -1.26 -5.16 105.19 106.55 2kc0 n GLY 30 Ca 0.00 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.54 2kc0 n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kc0 n LEU 31 N 0.00 3.12 -0.30 0.99 0.00 -1.26 -4.81 117.00 114.75 2kc0 n LEU 31 Ca -0.01 1.13 0.00 0.00 0.00 0.00 0.00 56.01 57.12 2kc0 n LEU 31 Cb 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 43.42 42.11 2kc0 n LEU 31 CO 0.05 -0.42 0.23 0.00 0.00 0.00 0.00 177.39 177.25 2kc0 n GLN 32 N 2.41 0.00 -3.75 1.96 6.02 -1.26 -4.88 117.38 117.87 2kc0 n GLN 32 Ca 0.13 -0.62 -0.08 0.00 -0.01 0.00 0.00 57.00 56.41 2kc0 n GLN 32 Cb 0.31 -0.39 -0.02 0.00 1.02 0.00 0.00 30.24 31.15 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2kc0 s SER 33 N -0.47 -0.33 -0.01 1.08 1.04 -1.26 -0.40 113.70 113.35 2kc0 s SER 33 Ca 0.00 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2kc0 s SER 33 Cb 0.00 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.81 2kc0 s SER 33 CO 0.00 -1.24 -0.01 -0.22 0.98 0.00 0.00 173.24 172.76 2kc0 s LEU 34 N -2.88 1.76 -0.06 2.42 0.20 -0.35 -4.92 118.68 114.85 2kc0 s LEU 34 Ca 0.09 -0.01 -0.09 0.00 0.69 0.00 0.00 54.13 54.80 2kc0 s LEU 34 Cb -0.04 -0.09 -0.05 0.00 -0.43 0.00 0.00 46.19 45.58 2kc0 s LEU 34 CO 0.02 -0.02 0.25 -0.89 -0.29 0.00 0.00 176.35 175.41 2kc0 s THR 35 N 0.26 5.32 -0.37 3.68 2.01 -1.26 -0.84 115.64 124.44 2kc0 s THR 35 Ca -0.02 0.41 0.10 0.00 0.31 0.00 0.00 61.69 62.49 2kc0 s THR 35 Cb -0.04 -3.53 0.67 0.00 0.01 0.00 0.00 72.50 69.61 2kc0 s THR 35 CO -0.01 0.57 1.58 0.18 -0.69 0.00 0.00 174.62 176.25 2kc0 n LEU 36 N 1.79 5.17 -0.36 4.42 4.32 -0.98 -4.70 117.00 126.65 2kc0 n LEU 36 Ca -0.17 -2.65 0.29 0.00 -0.02 0.00 0.00 56.01 53.46 2kc0 n LEU 36 Cb 0.54 -0.68 0.54 0.00 -1.62 0.00 0.00 43.42 42.20 2kc0 n LEU 36 CO 0.35 0.63 1.15 0.44 -1.22 0.00 0.00 177.39 178.74 2kc0 h ASP 37 N 2.95 0.40 0.11 -1.43 5.19 -1.92 -0.98 116.42 120.75 2kc0 h ASP 37 Ca 0.08 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 2kc0 h ASP 37 Cb 1.88 0.14 0.00 0.00 0.18 0.00 0.00 39.33 41.53 2kc0 h ASP 37 CO 0.50 -0.17 -0.61 0.00 -3.12 0.00 0.00 179.24 175.84 2kc0 n GLN 38 N -4.93 0.58 -0.07 3.56 0.00 -1.26 -4.63 117.38 110.62 2kc0 n GLN 38 Ca 0.34 -0.44 -0.10 0.00 0.00 0.00 0.00 57.00 56.79 2kc0 n GLN 38 Cb 1.14 -1.49 -0.07 0.00 0.00 0.00 0.00 30.24 29.82 2kc0 n GLN 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2kc0 h SER 39 N 1.08 0.00 -4.63 2.61 4.64 -1.54 -3.49 113.55 112.22 2kc0 h SER 39 Ca 0.00 -0.48 -0.26 0.00 -0.47 0.00 0.00 61.79 60.58 2kc0 h SER 39 Cb 0.59 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.51 2kc0 h SER 39 CO 0.00 0.93 -0.72 0.54 -0.87 0.00 0.00 176.83 176.71 2kc0 s VAL 40 N -2.07 0.68 0.82 0.95 0.11 -1.25 -5.15 120.40 114.49 2kc0 s VAL 40 Ca -0.15 -1.59 -0.11 0.00 -2.93 0.00 0.00 61.98 57.20 2kc0 s VAL 40 Cb 0.00 -1.25 0.09 0.00 -1.53 0.00 0.00 36.38 33.69 2kc0 s VAL 40 CO 0.41 -0.65 1.14 -0.13 -3.33 0.00 0.00 175.10 172.54 2kc0 s ARG 41 N -2.87 1.71 0.60 1.54 0.52 -1.26 -4.91 118.95 114.27 2kc0 s ARG 41 Ca 0.03 1.47 0.36 0.00 -0.52 0.00 0.00 55.73 57.07 2kc0 s ARG 41 Cb -0.01 -1.81 1.89 0.00 0.52 0.00 0.00 34.95 35.54 2kc0 s ARG 41 CO -0.02 -2.10 2.21 0.87 0.02 0.00 0.00 175.30 176.28 2kc0 h LYS 42 N -1.22 0.00 0.00 3.54 6.56 -1.96 -2.42 116.57 121.07 2kc0 h LYS 42 Ca -0.44 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.02 2kc0 h LYS 42 Cb 1.26 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.90 2kc0 h LYS 42 CO 0.47 0.03 -0.66 -0.91 -2.06 0.00 0.00 179.45 176.32 2kc0 h ASN 43 N 0.00 0.00 -2.81 0.86 2.35 -1.96 -2.71 115.58 111.32 2kc0 h ASN 43 Ca -0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 2kc0 h ASN 43 Cb 0.18 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 2kc0 h ASN 43 CO 0.00 0.56 -0.39 -1.61 -1.65 0.00 0.00 177.43 174.35 2kc0 s GLU 44 N -2.93 3.59 0.03 0.81 2.02 -0.91 -4.82 118.70 116.48 2kc0 s GLU 44 Ca 0.03 0.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.91 2kc0 s GLU 44 Cb 0.08 -3.16 -0.06 0.00 0.10 0.00 0.00 34.13 31.09 2kc0 s GLU 44 CO 0.76 0.72 0.38 0.21 0.02 0.00 0.00 175.26 177.35 2kc0 s LYS 45 N -1.28 3.79 0.09 1.61 2.20 -1.21 -4.29 119.74 120.65 2kc0 s LYS 45 Ca 0.21 0.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.06 2kc0 s LYS 45 Cb -0.13 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 2kc0 s LYS 45 CO 0.10 0.63 -0.04 -0.48 -0.36 0.00 0.00 175.35 175.20 2kc0 s LEU 46 N -1.51 2.43 -0.06 5.43 2.34 -0.52 -1.26 118.68 125.55 2kc0 s LEU 46 Ca 0.28 -1.03 0.01 0.00 0.06 0.00 0.00 54.13 53.45 2kc0 s LEU 46 Cb -0.15 0.05 0.02 0.00 -0.56 0.00 0.00 46.19 45.55 2kc0 s LEU 46 CO 0.15 -0.54 -0.07 -0.75 -1.06 0.00 0.00 176.35 174.08 2kc0 s LYS 47 N -3.88 1.19 0.24 1.48 2.36 -0.54 -0.94 119.74 119.65 2kc0 s LYS 47 Ca 0.12 -0.22 -0.04 0.00 -2.55 0.00 0.00 55.97 53.28 2kc0 s LYS 47 Cb 0.06 -1.11 -0.05 0.00 -1.05 0.00 0.00 37.83 35.68 2kc0 s LYS 47 CO -0.06 -0.07 0.48 -0.51 1.55 0.00 0.00 175.35 176.74 2kc0 s LEU 48 N 0.93 4.15 -0.12 5.43 1.02 0.44 -1.02 118.68 129.51 2kc0 s LEU 48 Ca -0.10 0.60 -0.11 0.00 0.02 0.00 0.00 54.13 54.53 2kc0 s LEU 48 Cb -0.15 -3.39 0.03 0.00 0.02 0.00 0.00 46.19 42.71 2kc0 s LEU 48 CO 0.01 -0.10 0.33 0.00 0.02 0.00 0.00 176.35 176.60 2kc0 s ALA 49 N -1.94 -0.82 -0.25 4.21 0.00 -0.19 -0.43 121.76 122.34 2kc0 s ALA 49 Ca 0.42 0.93 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 2kc0 s ALA 49 Cb -0.11 -0.54 0.07 0.00 0.00 0.00 0.00 23.12 22.53 2kc0 s ALA 49 CO 0.28 -0.16 0.67 0.00 0.00 0.00 0.00 175.76 176.56 2kc0 s ALA 50 N 0.18 -1.67 -1.60 0.00 0.00 -0.25 -2.59 121.76 115.82 2kc0 s ALA 50 Ca -0.00 1.92 -0.16 0.00 0.00 0.00 0.00 51.96 53.72 2kc0 s ALA 50 Cb -0.02 -1.12 0.13 0.00 0.00 0.00 0.00 23.12 22.11 2kc0 s ALA 50 CO 0.00 -0.32 0.79 0.94 0.00 0.00 0.00 175.76 177.18 2kc0 n GLN 51 N 2.80 -3.78 -0.54 0.00 7.27 -1.26 -1.65 117.38 120.22 2kc0 n GLN 51 Ca -0.14 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.37 2kc0 n GLN 51 Cb 0.55 -5.21 0.00 0.00 2.41 0.00 0.00 30.24 27.99 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kc0 n GLY 52 N -1.42 0.74 3.37 1.69 0.00 -1.26 -4.52 105.19 103.79 2kc0 n GLY 52 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 2kc0 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kc0 s ALA 53 N -2.28 2.05 0.05 4.61 0.00 -0.66 -5.04 121.76 120.49 2kc0 s ALA 53 Ca 0.00 -1.81 -0.06 0.00 0.00 0.00 0.00 51.96 50.08 2kc0 s ALA 53 Cb 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 2kc0 s ALA 53 CO 0.00 -0.15 0.12 -1.83 0.00 0.00 0.00 175.76 173.90 2kc0 s GLU 54 N -3.79 0.65 -0.05 0.00 -1.05 -1.26 -1.10 118.70 112.10 2kc0 s GLU 54 Ca 0.28 -0.80 -0.02 0.00 -0.15 0.00 0.00 54.97 54.29 2kc0 s GLU 54 Cb 0.04 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 34.02 2kc0 s GLU 54 CO 0.10 -0.17 0.03 0.15 0.95 0.00 0.00 175.26 176.31 2kc0 s LYS 55 N -2.89 0.26 0.13 -4.83 -0.14 0.43 -4.87 119.74 107.83 2kc0 s LYS 55 Ca -0.03 0.23 -0.30 0.00 -1.36 0.00 0.00 55.97 54.52 2kc0 s LYS 55 Cb 0.01 -0.72 -0.06 0.00 -1.68 0.00 0.00 37.83 35.37 2kc0 s LYS 55 CO -0.06 -0.30 0.99 0.95 -0.76 0.00 0.00 175.35 176.16 2kc0 s THR 56 N 2.00 4.34 0.07 2.17 -4.23 -1.26 -0.42 115.64 118.31 2kc0 s THR 56 Ca 0.04 1.99 0.03 0.00 -1.18 0.00 0.00 61.69 62.57 2kc0 s THR 56 Cb -0.12 -4.27 -0.03 0.00 1.34 0.00 0.00 72.50 69.42 2kc0 s THR 56 CO -0.04 0.33 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.97 2kc0 s TYR 57 N -0.14 0.88 -0.01 3.99 2.02 -0.11 -5.00 117.35 118.97 2kc0 s TYR 57 Ca 0.47 -0.62 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 2kc0 s TYR 57 Cb -0.25 -0.50 0.10 0.00 -0.40 0.00 0.00 41.96 40.91 2kc0 s TYR 57 CO 0.31 -0.06 0.98 0.20 -1.57 0.00 0.00 175.55 175.41 2kc0 s GLY 58 N -2.12 -0.39 -1.53 0.71 0.00 -1.26 -1.43 107.32 101.29 2kc0 s GLY 58 Ca -0.01 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.64 2kc0 s GLY 58 CO -0.01 0.29 0.00 -2.01 0.00 0.00 0.00 173.10 171.38 2kc0 n ASN 59 N -0.28 -4.49 -0.11 1.64 5.15 -1.02 -4.54 115.26 111.62 2kc0 n ASN 59 Ca -0.07 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 2kc0 n ASN 59 Cb 0.61 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 36.01 2kc0 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kc0 n GLY 60 N -0.15 -0.05 0.00 8.20 0.00 -1.26 -4.90 105.19 107.02 2kc0 n GLY 60 Ca -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2kc0 n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kc0 n ASP 61 N -0.04 0.00 -3.71 1.61 -0.08 -1.26 -5.05 116.55 108.02 2kc0 n ASP 61 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 2kc0 n ASP 61 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 2kc0 n ASP 61 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kc0 s SER 62 N 1.39 -0.51 -0.29 1.67 1.04 -1.26 -2.31 113.70 113.41 2kc0 s SER 62 Ca 0.00 0.94 -0.19 0.00 0.48 0.00 0.00 55.95 57.17 2kc0 s SER 62 Cb 0.00 0.89 -0.01 0.00 0.10 0.00 0.00 66.02 66.99 2kc0 s SER 62 CO 0.00 -0.18 0.58 -0.22 0.98 0.00 0.00 173.24 174.40 2kc0 s LEU 63 N 0.77 4.13 0.08 2.42 0.20 -0.02 -4.91 118.68 121.34 2kc0 s LEU 63 Ca -0.04 0.42 -0.11 0.00 0.69 0.00 0.00 54.13 55.10 2kc0 s LEU 63 Cb -0.05 -2.74 -0.06 0.00 -0.43 0.00 0.00 46.19 42.91 2kc0 s LEU 63 CO -0.06 -0.41 0.41 0.20 -0.29 0.00 0.00 176.35 176.21 2kc0 s ASN 64 N 1.61 6.67 -0.40 3.68 0.01 -1.26 -1.22 114.94 124.04 2kc0 s ASN 64 Ca 0.23 0.83 0.09 0.00 -0.71 0.00 0.00 52.86 53.30 2kc0 s ASN 64 Cb -0.15 -2.19 0.39 0.00 0.41 0.00 0.00 41.25 39.71 2kc0 s ASN 64 CO 0.11 0.18 1.34 1.07 -1.51 0.00 0.00 177.10 178.29 2kc0 n THR 65 N 0.96 0.04 -2.14 1.60 5.66 0.47 -4.95 114.28 115.91 2kc0 n THR 65 Ca -0.08 -1.56 -0.40 0.00 -3.05 0.00 0.00 64.05 58.95 2kc0 n THR 65 Cb 0.52 0.99 -0.02 0.00 -1.55 0.00 0.00 70.33 70.27 2kc0 n THR 65 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2kc0 s GLY 66 N -1.28 2.99 0.00 1.09 0.00 -0.75 -4.50 107.32 104.88 2kc0 s GLY 66 Ca 0.22 1.22 0.00 0.00 0.00 0.00 0.00 44.72 46.16 2kc0 s GLY 66 CO -0.09 1.86 0.00 0.28 0.00 0.00 0.00 173.10 175.15 2kc0 n LYS 67 N 0.74 0.00 -1.89 2.90 4.01 -1.26 -4.80 118.16 117.85 2kc0 n LYS 67 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 2kc0 n LYS 67 Cb 0.42 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 34.91 2kc0 n LYS 67 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2kc0 n LEU 68 N 0.00 -1.23 0.00 -0.35 4.77 -1.26 -4.88 117.00 114.04 2kc0 n LEU 68 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2kc0 n LEU 68 Cb 0.00 -2.29 0.00 0.00 -2.33 0.00 0.00 43.42 38.80 2kc0 n LEU 68 CO 0.00 -0.50 0.00 0.29 -1.33 0.00 0.00 177.39 175.85 2kc0 n LYS 69 N -2.40 0.00 -3.11 3.23 4.01 -1.26 -5.04 118.16 113.59 2kc0 n LYS 69 Ca -0.16 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.56 2kc0 n LYS 69 Cb 0.56 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.08 2kc0 n LYS 69 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2kc0 n ASN 70 N 0.00 -7.37 -4.26 4.39 3.02 -1.26 -4.35 115.26 105.43 2kc0 n ASN 70 Ca 0.00 -0.01 -0.33 0.00 -0.03 0.00 0.00 54.58 54.21 2kc0 n ASN 70 Cb 0.00 -4.70 -0.09 0.00 -0.61 0.00 0.00 39.78 34.38 2kc0 n ASN 70 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kc0 n ASP 71 N -1.37 0.08 -4.31 6.41 5.75 -0.95 -4.93 116.55 117.24 2kc0 n ASP 71 Ca -0.01 -1.19 -0.21 0.00 -0.01 0.00 0.00 54.79 53.37 2kc0 n ASP 71 Cb 0.52 -1.50 -0.11 0.00 -1.03 0.00 0.00 41.12 39.00 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2kc0 s LYS 72 N -7.05 1.22 -0.23 0.11 -2.85 -0.12 -4.98 119.74 105.84 2kc0 s LYS 72 Ca 0.25 -1.37 -0.09 0.00 -1.00 0.00 0.00 55.97 53.75 2kc0 s LYS 72 Cb -0.14 -1.25 -0.04 0.00 -2.06 0.00 0.00 37.83 34.33 2kc0 s LYS 72 CO 0.95 0.25 0.12 0.14 0.10 0.00 0.00 175.35 176.91 2kc0 s VAL 73 N -2.05 5.01 -0.17 1.79 -7.23 -1.26 -0.99 120.40 115.50 2kc0 s VAL 73 Ca 0.14 0.06 -0.06 0.00 -1.81 0.00 0.00 61.98 60.30 2kc0 s VAL 73 Cb -0.06 -3.32 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 2kc0 s VAL 73 CO 0.06 0.36 0.05 -0.94 -0.31 0.00 0.00 175.10 174.32 2kc0 s SER 74 N 1.08 5.54 0.22 4.85 1.04 -0.18 -5.00 113.70 121.25 2kc0 s SER 74 Ca 0.06 0.08 -0.30 0.00 0.48 0.00 0.00 55.95 56.28 2kc0 s SER 74 Cb -0.14 -1.91 -0.09 0.00 0.10 0.00 0.00 66.02 63.99 2kc0 s SER 74 CO 0.04 0.20 1.20 0.00 0.98 0.00 0.00 173.24 175.66 2kc0 s ARG 75 N 0.18 4.50 -0.01 4.02 1.70 -1.26 -2.62 118.95 125.46 2kc0 s ARG 75 Ca 0.04 1.91 0.01 0.00 -0.47 0.00 0.00 55.73 57.22 2kc0 s ARG 75 Cb -0.12 -3.21 0.00 0.00 -0.57 0.00 0.00 34.95 31.05 2kc0 s ARG 75 CO 0.01 -0.05 -0.03 -0.06 -1.08 0.00 0.00 175.30 174.08 2kc0 s PHE 76 N -0.36 0.36 -0.01 5.89 0.08 -0.93 -4.97 117.98 118.03 2kc0 s PHE 76 Ca 0.51 -0.06 -0.15 0.00 0.12 0.00 0.00 56.93 57.35 2kc0 s PHE 76 Cb -0.34 -0.27 -0.06 0.00 -0.57 0.00 0.00 43.02 41.79 2kc0 s PHE 76 CO 0.39 -0.03 0.41 -0.51 -0.10 0.00 0.00 175.22 175.38 2kc0 s ASP 77 N 0.13 6.79 0.05 1.36 1.01 -1.07 -1.36 116.67 123.58 2kc0 s ASP 77 Ca -0.01 0.94 0.03 0.00 0.71 0.00 0.00 52.55 54.23 2kc0 s ASP 77 Cb -0.04 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 2kc0 s ASP 77 CO -0.00 0.29 -0.10 0.72 0.21 0.00 0.00 175.17 176.29 2kc0 s PHE 78 N -0.89 0.84 0.09 4.23 -0.12 -0.60 -1.02 117.98 120.51 2kc0 s PHE 78 Ca 0.24 -0.48 0.06 0.00 -0.05 0.00 0.00 56.93 56.70 2kc0 s PHE 78 Cb -0.16 -0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 41.70 2kc0 s PHE 78 CO 0.13 -0.04 -0.16 0.96 -0.05 0.00 0.00 175.22 176.06 2kc0 s ILE 79 N -1.33 1.33 -0.24 -4.49 -5.25 -0.19 -1.26 121.20 109.76 2kc0 s ILE 79 Ca -0.07 -1.42 -0.06 0.00 -0.99 0.00 0.00 60.65 58.10 2kc0 s ILE 79 Cb -0.10 -1.27 -0.02 0.00 2.95 0.00 0.00 42.46 44.01 2kc0 s ILE 79 CO 0.01 -0.19 0.04 -0.60 -1.79 0.00 0.00 174.94 172.41 2kc0 s ARG 80 N -1.88 3.58 -0.41 0.37 3.52 0.12 -1.47 118.95 122.79 2kc0 s ARG 80 Ca 0.02 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 2kc0 s ARG 80 Cb -0.10 -3.24 0.12 0.00 -1.56 0.00 0.00 34.95 30.18 2kc0 s ARG 80 CO 0.03 -0.19 0.19 -1.14 -0.81 0.00 0.00 175.30 173.38 2kc0 s GLN 81 N 1.57 1.29 0.27 5.12 0.74 -0.39 -4.35 119.66 123.91 2kc0 s GLN 81 Ca 0.06 -1.88 -0.24 0.00 0.05 0.00 0.00 55.36 53.35 2kc0 s GLN 81 Cb -0.15 -2.51 -0.09 0.00 1.10 0.00 0.00 33.01 31.37 2kc0 s GLN 81 CO 0.02 -1.09 0.85 -1.50 -0.55 0.00 0.00 175.29 173.02 2kc0 s ILE 82 N 0.59 4.35 -0.61 -2.34 1.10 -1.26 -3.32 121.20 119.71 2kc0 s ILE 82 Ca 0.15 1.63 -0.15 0.00 -0.51 0.00 0.00 60.65 61.77 2kc0 s ILE 82 Cb -0.23 -3.98 0.15 0.00 0.15 0.00 0.00 42.46 38.56 2kc0 s ILE 82 CO -0.06 0.21 0.56 -0.70 -2.11 0.00 0.00 174.94 172.84 2kc0 s GLU 83 N -1.92 3.11 -0.46 3.50 2.12 -1.26 -4.25 118.70 119.54 2kc0 s GLU 83 Ca 0.46 -1.93 -0.22 0.00 0.36 0.00 0.00 54.97 53.64 2kc0 s GLU 83 Cb -0.19 -4.30 0.03 0.00 0.26 0.00 0.00 34.13 29.94 2kc0 s GLU 83 CO 0.23 -1.31 0.72 0.08 -0.54 0.00 0.00 175.26 174.45 2kc0 s VAL 84 N 1.17 4.73 -1.67 3.70 1.01 -0.49 -4.18 120.40 124.66 2kc0 s VAL 84 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2kc0 s VAL 84 Cb -0.24 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2kc0 s VAL 84 CO -0.01 -0.72 0.00 0.47 0.00 0.00 0.00 175.10 174.85 2kc0 n ASP 85 N 6.53 -4.37 0.00 3.32 8.00 -1.26 -0.65 116.55 128.13 2kc0 n ASP 85 Ca -0.00 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2kc0 n ASP 85 Cb 0.48 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kc0 n GLY 86 N -0.40 0.74 3.64 0.44 0.00 -1.26 -5.11 105.19 103.25 2kc0 n GLY 86 Ca -0.17 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 2kc0 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kc0 s GLN 87 N -1.26 2.48 -0.06 1.61 -1.52 0.18 -5.12 119.66 115.96 2kc0 s GLN 87 Ca 0.00 -0.83 0.05 0.00 -1.95 0.00 0.00 55.36 52.64 2kc0 s GLN 87 Cb 0.00 -2.49 -0.01 0.00 -0.22 0.00 0.00 33.01 30.28 2kc0 s GLN 87 CO 0.00 0.56 -0.22 -0.51 -0.25 0.00 0.00 175.29 174.87 2kc0 s LEU 88 N -1.98 2.25 -0.01 2.90 1.02 -1.26 -1.40 118.68 120.21 2kc0 s LEU 88 Ca 0.22 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 53.96 2kc0 s LEU 88 Cb -0.11 -1.42 -0.01 0.00 0.02 0.00 0.00 46.19 44.67 2kc0 s LEU 88 CO 0.14 0.26 -0.09 -0.63 0.02 0.00 0.00 176.35 176.05 2kc0 s ILE 89 N -0.27 0.70 -0.41 -0.59 1.01 -1.26 -5.06 121.20 115.32 2kc0 s ILE 89 Ca -0.00 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.34 2kc0 s ILE 89 Cb -0.13 -0.59 0.26 0.00 0.01 0.00 0.00 42.46 42.01 2kc0 s ILE 89 CO 0.03 0.19 0.62 1.07 0.00 0.00 0.00 174.94 176.85 2kc0 n THR 90 N 2.85 -0.51 0.06 2.92 5.66 -1.26 -4.20 114.28 119.80 2kc0 n THR 90 Ca -0.13 -3.50 0.01 0.00 -3.05 0.00 0.00 64.05 57.37 2kc0 n THR 90 Cb 0.57 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 2kc0 n THR 90 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kc0 n LEU 91 N 1.36 0.73 -4.45 1.09 7.99 -1.26 -5.01 117.00 117.46 2kc0 n LEU 91 Ca 0.19 -0.81 -0.37 0.00 -0.01 0.00 0.00 56.01 55.00 2kc0 n LEU 91 Cb 0.56 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.75 2kc0 n LEU 91 CO 0.15 0.17 -0.25 -1.61 -1.51 0.00 0.00 177.39 174.34 2kc0 s GLU 92 N -0.50 3.55 0.04 3.23 8.01 -1.26 -3.70 118.70 128.07 2kc0 s GLU 92 Ca 0.01 -0.56 0.00 0.00 0.01 0.00 0.00 54.97 54.43 2kc0 s GLU 92 Cb 0.01 -3.41 -0.03 0.00 -4.31 0.00 0.00 34.13 26.39 2kc0 s GLU 92 CO 0.03 -0.27 -0.04 -1.12 0.01 0.00 0.00 175.26 173.88 2kc0 s SER 93 N 1.61 0.47 0.03 -0.19 0.01 -1.26 -0.70 113.70 113.67 2kc0 s SER 93 Ca 0.06 -0.72 -0.02 0.00 1.31 0.00 0.00 55.95 56.57 2kc0 s SER 93 Cb -0.16 0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.21 2kc0 s SER 93 CO 0.05 -0.41 0.10 0.61 0.41 0.00 0.00 173.24 174.00 2kc0 n GLY 94 N 0.93 1.58 3.12 3.44 0.00 -0.39 -4.60 105.19 109.26 2kc0 n GLY 94 Ca -0.19 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 2kc0 n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kc0 s GLU 95 N -2.01 2.35 -0.44 1.61 2.12 0.72 -1.55 118.70 121.49 2kc0 s GLU 95 Ca 0.02 -2.18 -0.28 0.00 0.36 0.00 0.00 54.97 52.89 2kc0 s GLU 95 Cb -0.00 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2kc0 s GLU 95 CO 0.01 -1.14 1.52 0.12 -0.54 0.00 0.00 175.26 175.23 2kc0 s PHE 96 N 0.55 2.21 -0.37 5.30 5.36 -0.47 -1.32 117.98 129.24 2kc0 s PHE 96 Ca 0.12 0.63 -0.12 0.00 -0.96 0.00 0.00 56.93 56.60 2kc0 s PHE 96 Cb -0.22 -4.28 0.01 0.00 -0.34 0.00 0.00 43.02 38.19 2kc0 s PHE 96 CO -0.04 -2.19 0.24 -0.65 -1.46 0.00 0.00 175.22 171.12 2kc0 s GLN 97 N 5.36 3.08 -0.19 10.12 -1.52 -0.73 -2.20 119.66 133.57 2kc0 s GLN 97 Ca 0.63 -0.92 0.01 0.00 -1.95 0.00 0.00 55.36 53.12 2kc0 s GLN 97 Cb -0.15 -3.80 0.04 0.00 -0.22 0.00 0.00 33.01 28.88 2kc0 s GLN 97 CO 0.30 -0.63 -0.09 0.08 -0.25 0.00 0.00 175.29 174.70 2kc0 s VAL 98 N 1.64 1.52 0.06 1.09 1.01 -1.08 -1.31 120.40 123.32 2kc0 s VAL 98 Ca 0.04 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 2kc0 s VAL 98 Cb -0.18 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 2kc0 s VAL 98 CO 0.08 0.17 0.58 -0.47 0.00 0.00 0.00 175.10 175.46 2kc0 s TYR 99 N 1.45 3.79 -0.11 5.22 6.14 -0.36 -1.01 117.35 132.47 2kc0 s TYR 99 Ca -0.01 1.27 0.01 0.00 0.64 0.00 0.00 57.07 58.99 2kc0 s TYR 99 Cb -0.16 -2.52 0.02 0.00 0.42 0.00 0.00 41.96 39.71 2kc0 s TYR 99 CO -0.08 0.55 -0.14 0.15 0.64 0.00 0.00 175.55 176.66 2kc0 s LYS 100 N -0.96 2.14 0.13 4.97 3.01 -0.16 -2.71 119.74 126.17 2kc0 s LYS 100 Ca 0.29 -0.53 0.02 0.00 -1.01 0.00 0.00 55.97 54.75 2kc0 s LYS 100 Cb -0.19 -1.87 -0.01 0.00 -1.01 0.00 0.00 37.83 34.75 2kc0 s LYS 100 CO 0.19 -0.10 0.07 1.04 0.51 0.00 0.00 175.35 177.05 2kc0 n GLN 101 N 4.34 0.53 -0.30 1.68 3.00 -1.00 -0.95 117.38 124.69 2kc0 n GLN 101 Ca -0.18 -1.14 -0.02 0.00 -0.01 0.00 0.00 57.00 55.64 2kc0 n GLN 101 Cb 0.51 0.75 0.01 0.00 0.00 0.00 0.00 30.24 31.51 2kc0 n GLN 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2kc0 n SER 102 N -2.16 -0.56 0.00 1.08 7.64 -1.26 -4.11 113.62 114.25 2kc0 n SER 102 Ca -0.00 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.23 2kc0 n SER 102 Cb 0.20 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2kc0 n SER 102 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kc0 n HIS 103 N -5.10 0.00 -1.66 1.43 8.25 -1.26 -4.93 115.22 111.95 2kc0 n HIS 103 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 2kc0 n HIS 103 Cb 0.29 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.47 2kc0 n HIS 103 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kc0 s SER 104 N -3.26 4.82 -0.15 0.41 1.04 -1.26 -4.62 113.70 110.68 2kc0 s SER 104 Ca 0.00 1.26 -0.13 0.00 0.48 0.00 0.00 55.95 57.56 2kc0 s SER 104 Cb 0.00 -2.02 0.04 0.00 0.10 0.00 0.00 66.02 64.14 2kc0 s SER 104 CO 0.00 -1.76 0.40 0.00 0.98 0.00 0.00 173.24 172.86 2kc0 s ALA 105 N -3.22 -0.99 0.05 5.32 0.00 -1.10 -2.36 121.76 119.46 2kc0 s ALA 105 Ca 0.60 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.77 2kc0 s ALA 105 Cb -0.13 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2kc0 s ALA 105 CO 0.53 -0.20 -0.10 -0.48 0.00 0.00 0.00 175.76 175.52 2kc0 s LEU 106 N 0.37 2.25 0.22 0.00 0.05 -1.10 -2.24 118.68 118.24 2kc0 s LEU 106 Ca -0.01 -0.56 0.08 0.00 0.05 0.00 0.00 54.13 53.69 2kc0 s LEU 106 Cb -0.04 -0.29 -0.04 0.00 -2.05 0.00 0.00 46.19 43.77 2kc0 s LEU 106 CO -0.01 -0.15 0.04 0.28 -0.55 0.00 0.00 176.35 175.96 2kc0 s THR 107 N -1.29 3.77 0.09 5.48 -1.32 -1.25 -1.22 115.64 119.89 2kc0 s THR 107 Ca -0.07 -1.59 -0.10 0.00 -1.21 0.00 0.00 61.69 58.72 2kc0 s THR 107 Cb -0.10 -2.96 0.01 0.00 -1.51 0.00 0.00 72.50 67.93 2kc0 s THR 107 CO 0.01 -0.25 0.23 0.00 -2.21 0.00 0.00 174.62 172.40 2kc0 s ALA 108 N -2.02 -0.36 -0.07 11.08 0.00 -0.43 -1.42 121.76 128.54 2kc0 s ALA 108 Ca 0.30 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 2kc0 s ALA 108 Cb -0.08 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 2kc0 s ALA 108 CO 0.20 -0.52 0.13 -0.06 0.00 0.00 0.00 175.76 175.51 2kc0 s PHE 109 N -3.77 3.51 -0.02 0.00 0.40 -0.58 -1.77 117.98 115.74 2kc0 s PHE 109 Ca 0.04 0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.79 2kc0 s PHE 109 Cb 0.04 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2kc0 s PHE 109 CO -0.11 0.67 -0.01 -1.14 0.70 0.00 0.00 175.22 175.33 2kc0 s GLN 110 N -1.34 0.26 0.19 0.44 0.74 -0.44 -3.80 119.66 115.71 2kc0 s GLN 110 Ca 0.19 0.03 -0.22 0.00 0.05 0.00 0.00 55.36 55.41 2kc0 s GLN 110 Cb -0.12 -0.39 0.06 0.00 1.10 0.00 0.00 33.01 33.65 2kc0 s GLN 110 CO 0.09 -0.08 0.61 -0.08 -0.55 0.00 0.00 175.29 175.28 2kc0 s THR 111 N 0.71 0.00 0.12 -0.34 -1.32 -1.26 -0.20 115.64 113.36 2kc0 s THR 111 Ca -0.07 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 2kc0 s THR 111 Cb -0.10 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 2kc0 s THR 111 CO -0.01 -0.02 0.00 -0.62 -2.21 0.00 0.00 174.62 171.76 2kc0 n GLU 112 N -0.39 0.00 -3.79 7.08 -0.58 -1.26 -3.74 120.64 117.96 2kc0 n GLU 112 Ca -0.14 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.46 2kc0 n GLU 112 Cb 0.64 -0.26 -0.15 0.00 -0.57 0.00 0.00 31.44 31.09 2kc0 n GLU 112 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2kc0 s GLN 113 N -2.00 -0.01 0.20 3.49 -0.21 -1.26 -3.34 119.66 116.53 2kc0 s GLN 113 Ca 0.00 0.17 -0.09 0.00 0.02 0.00 0.00 55.36 55.46 2kc0 s GLN 113 Cb 0.00 -0.18 -0.01 0.00 1.00 0.00 0.00 33.01 33.82 2kc0 s GLN 113 CO 0.00 -0.13 0.34 0.96 -2.12 0.00 0.00 175.29 174.34 2kc0 s ILE 114 N 0.84 0.03 0.00 1.08 -4.36 -0.98 -4.47 121.20 113.34 2kc0 s ILE 114 Ca -0.07 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 2kc0 s ILE 114 Cb -0.10 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.51 2kc0 s ILE 114 CO -0.03 -0.12 0.00 0.00 0.24 0.00 0.00 174.94 175.03 2kc0 n GLN 115 N -0.29 -0.27 -4.25 0.37 10.64 -1.24 -0.73 117.38 121.61 2kc0 n GLN 115 Ca -0.03 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.92 2kc0 n GLN 115 Cb 0.63 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.85 2kc0 n GLN 115 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2kc0 s ASP 116 N -1.24 1.34 0.00 2.61 2.15 -1.25 -4.47 116.67 115.80 2kc0 s ASP 116 Ca 0.00 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2kc0 s ASP 116 Cb 0.00 -0.60 0.00 0.00 -0.30 0.00 0.00 42.92 42.02 2kc0 s ASP 116 CO 0.00 -0.04 1.55 -1.20 -0.17 0.00 0.00 175.17 175.31 2kc0 n SER 117 N 4.11 4.16 0.00 -0.34 7.64 -1.26 -3.44 113.62 124.49 2kc0 n SER 117 Ca -0.22 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.56 2kc0 n SER 117 Cb 0.51 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2kc0 n SER 117 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kc0 n GLU 118 N 1.57 2.93 -0.03 1.43 1.02 -1.26 -4.76 120.64 121.54 2kc0 n GLU 118 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kc0 n GLU 118 Cb 0.39 -0.96 0.01 0.00 -0.02 0.00 0.00 31.44 30.86 2kc0 n GLU 118 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kc0 n HIS 119 N -2.00 0.00 -0.92 -0.32 -0.00 -1.22 -5.03 115.22 105.72 2kc0 n HIS 119 Ca 0.00 -0.26 -0.04 0.00 0.46 0.00 0.00 57.72 57.87 2kc0 n HIS 119 Cb 0.46 -0.03 -0.02 0.00 -0.12 0.00 0.00 29.99 30.28 2kc0 n HIS 119 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2kc0 n SER 120 N -0.29 -4.17 -0.67 0.26 7.64 -1.23 -4.50 113.62 110.66 2kc0 n SER 120 Ca 0.01 0.11 -0.03 0.00 1.01 0.00 0.00 58.87 59.97 2kc0 n SER 120 Cb 0.41 -2.92 -0.03 0.00 -1.01 0.00 0.00 64.21 60.66 2kc0 n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kc0 n GLY 121 N 0.43 0.74 3.05 0.23 0.00 -1.26 -5.03 105.19 103.34 2kc0 n GLY 121 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 2kc0 n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kc0 n LYS 122 N 0.00 -0.50 -3.68 1.61 5.02 -1.26 -5.00 118.16 114.36 2kc0 n LYS 122 Ca -0.11 -1.88 -0.09 0.00 -2.02 0.00 0.00 58.31 54.22 2kc0 n LYS 122 Cb 0.55 -0.80 -0.10 0.00 -0.02 0.00 0.00 35.03 34.66 2kc0 n LYS 122 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2kc0 s MET 123 N -4.91 0.45 -0.03 1.97 -2.45 -1.26 -3.97 119.30 109.09 2kc0 s MET 123 Ca 0.56 0.95 -0.01 0.00 -1.25 0.00 0.00 55.69 55.93 2kc0 s MET 123 Cb -0.02 0.11 0.02 0.00 1.25 0.00 0.00 34.83 36.19 2kc0 s MET 123 CO 0.38 -0.18 0.06 0.14 1.05 0.00 0.00 175.02 176.48 2kc0 s VAL 124 N 1.73 -0.03 -0.46 10.11 -7.23 0.10 -4.90 120.40 119.72 2kc0 s VAL 124 Ca -0.08 0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.17 2kc0 s VAL 124 Cb -0.09 -0.11 0.03 0.00 0.56 0.00 0.00 36.38 36.77 2kc0 s VAL 124 CO -0.14 0.05 2.85 0.00 -0.31 0.00 0.00 175.10 177.55 2kc0 n ALA 125 N 3.72 6.48 -2.86 1.32 0.00 -1.26 -2.32 120.51 125.59 2kc0 n ALA 125 Ca -0.21 -2.97 -0.43 0.00 0.00 0.00 0.00 53.44 49.82 2kc0 n ALA 125 Cb 0.54 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 2kc0 n ALA 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kc0 s LYS 126 N -1.35 3.52 -0.86 0.00 -2.85 -1.21 -4.85 119.74 112.13 2kc0 s LYS 126 Ca 0.60 -1.51 -0.25 0.00 -1.00 0.00 0.00 55.97 53.80 2kc0 s LYS 126 Cb 0.36 -4.87 -0.20 0.00 -2.06 0.00 0.00 37.83 31.06 2kc0 s LYS 126 CO -0.19 -1.85 1.92 0.54 0.10 0.00 0.00 175.35 175.87 2kc0 n ARG 127 N 7.10 0.89 -2.30 1.78 1.74 -1.26 -4.72 116.66 119.89 2kc0 n ARG 127 Ca 0.21 -1.88 -0.42 0.00 -0.77 0.00 0.00 57.85 54.99 2kc0 n ARG 127 Cb 0.49 -3.41 -0.00 0.00 -1.02 0.00 0.00 32.46 28.52 2kc0 n ARG 127 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2kc0 n GLN 128 N 7.93 3.04 -2.99 5.56 -0.06 -1.24 -4.88 117.38 124.73 2kc0 n GLN 128 Ca 0.45 -3.04 -0.42 0.00 -2.00 0.00 0.00 57.00 51.99 2kc0 n GLN 128 Cb 0.45 -3.44 -0.05 0.00 -4.06 0.00 0.00 30.24 23.14 2kc0 n GLN 128 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 2kc0 s PHE 129 N 4.10 3.18 0.04 3.69 2.19 -1.26 -4.31 117.98 125.61 2kc0 s PHE 129 Ca 0.52 0.68 -0.05 0.00 0.33 0.00 0.00 56.93 58.41 2kc0 s PHE 129 Cb 0.07 -3.22 -0.01 0.00 -1.31 0.00 0.00 43.02 38.54 2kc0 s PHE 129 CO 0.03 -0.60 0.09 1.03 1.83 0.00 0.00 175.22 177.60 2kc0 s ARG 130 N 2.92 0.60 0.13 10.12 1.81 -1.25 -4.71 118.95 128.57 2kc0 s ARG 130 Ca 0.30 -0.80 -0.17 0.00 -1.72 0.00 0.00 55.73 53.35 2kc0 s ARG 130 Cb -0.14 0.23 -0.07 0.00 -0.45 0.00 0.00 34.95 34.52 2kc0 s ARG 130 CO 0.14 -0.15 0.58 -1.50 -0.68 0.00 0.00 175.30 173.69 2kc0 s ILE 131 N -2.76 4.78 0.73 1.52 1.10 -1.26 -1.53 121.20 123.79 2kc0 s ILE 131 Ca -0.04 1.01 -0.02 0.00 -0.51 0.00 0.00 60.65 61.09 2kc0 s ILE 131 Cb -0.00 -3.80 0.15 0.00 0.15 0.00 0.00 42.46 38.95 2kc0 s ILE 131 CO -0.05 0.34 1.00 0.61 -2.11 0.00 0.00 174.94 174.73 2kc0 n GLY 132 N 1.09 0.37 3.80 1.50 0.00 -0.51 -4.94 105.19 106.50 2kc0 n GLY 132 Ca -0.07 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 2kc0 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc0 s ASP 133 N -5.01 6.66 -0.78 1.61 1.11 -1.26 -4.82 116.67 114.18 2kc0 s ASP 133 Ca 0.65 1.90 -0.13 0.00 0.18 0.00 0.00 52.55 55.14 2kc0 s ASP 133 Cb -0.03 -2.56 0.20 0.00 1.07 0.00 0.00 42.92 41.60 2kc0 s ASP 133 CO 0.43 -0.56 0.71 -0.63 1.18 0.00 0.00 175.17 176.30 2kc0 s ILE 134 N -1.91 5.41 0.16 0.77 -1.09 -1.26 -3.92 121.20 119.35 2kc0 s ILE 134 Ca 0.62 -2.40 -0.26 0.00 -2.23 0.00 0.00 60.65 56.38 2kc0 s ILE 134 Cb -0.16 -4.36 -0.08 0.00 -1.58 0.00 0.00 42.46 36.28 2kc0 s ILE 134 CO 0.21 -1.00 0.82 0.00 -1.23 0.00 0.00 174.94 173.73 2kc0 s ALA 135 N 0.32 3.40 0.00 9.38 0.00 -0.95 -4.99 121.76 128.92 2kc0 s ALA 135 Ca 0.16 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2kc0 s ALA 135 Cb -0.13 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2kc0 s ALA 135 CO -0.07 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2kc0 n GLY 136 N 1.74 2.78 2.74 0.00 0.00 -1.26 -2.71 105.19 108.48 2kc0 n GLY 136 Ca -0.04 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 2kc0 n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kc0 n GLU 137 N -0.74 3.67 -2.26 1.61 1.02 -1.26 -4.95 120.64 117.73 2kc0 n GLU 137 Ca 0.00 -3.69 -0.36 0.00 -0.02 0.00 0.00 57.16 53.08 2kc0 n GLU 137 Cb 0.00 -2.34 -0.04 0.00 -0.02 0.00 0.00 31.44 29.04 2kc0 n GLU 137 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kc0 s HIS 138 N -3.57 2.01 -0.09 -0.32 -3.43 -1.26 -4.78 115.29 103.84 2kc0 s HIS 138 Ca 0.49 0.24 0.24 0.00 -0.80 0.00 0.00 55.06 55.23 2kc0 s HIS 138 Cb 0.34 -4.32 0.45 0.00 -1.43 0.00 0.00 32.58 27.61 2kc0 s HIS 138 CO -0.28 -2.04 1.16 2.41 -2.00 0.00 0.00 174.74 173.99 2kc0 n THR 139 N 7.13 0.53 -2.69 -5.38 -1.04 -1.26 -4.14 114.28 107.43 2kc0 n THR 139 Ca 0.24 -1.72 -0.03 0.00 -2.04 0.00 0.00 64.05 60.50 2kc0 n THR 139 Cb 0.50 0.95 0.12 0.00 -1.82 0.00 0.00 70.33 70.07 2kc0 n THR 139 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kc0 n SER 140 N 0.08 -1.14 -0.13 8.00 3.41 -1.26 -4.98 113.62 117.59 2kc0 n SER 140 Ca 0.08 -2.25 -0.11 0.00 -0.26 0.00 0.00 58.87 56.33 2kc0 n SER 140 Cb 1.03 0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 65.54 2kc0 n SER 140 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2kc0 h PHE 141 N 1.38 0.87 0.00 7.33 3.57 -1.92 -2.98 116.94 125.19 2kc0 h PHE 141 Ca -0.38 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 60.92 2kc0 h PHE 141 Cb 1.29 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2kc0 h PHE 141 CO 0.04 0.92 0.00 -3.47 -2.23 0.00 0.00 178.31 173.56 2kc0 n ASP 142 N -4.32 0.00 -0.09 0.41 2.03 -1.26 -2.38 116.55 110.94 2kc0 n ASP 142 Ca -0.01 -0.57 0.12 0.00 0.52 0.00 0.00 54.79 54.85 2kc0 n ASP 142 Cb 0.37 -0.06 0.30 0.00 -0.72 0.00 0.00 41.12 41.02 2kc0 n ASP 142 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kc0 n LYS 143 N -1.06 0.32 -1.67 -0.67 4.76 -1.13 -4.91 118.16 113.81 2kc0 n LYS 143 Ca 0.16 -0.18 -0.30 0.00 -2.87 0.00 0.00 58.31 55.11 2kc0 n LYS 143 Cb 0.10 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 31.87 2kc0 n LYS 143 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kc0 s LEU 144 N -2.81 2.64 0.57 -0.35 1.02 -1.00 -4.98 118.68 113.77 2kc0 s LEU 144 Ca 0.16 1.20 -0.13 0.00 0.02 0.00 0.00 54.13 55.38 2kc0 s LEU 144 Cb 0.18 -3.84 -0.06 0.00 0.02 0.00 0.00 46.19 42.49 2kc0 s LEU 144 CO 0.63 -1.82 1.00 -2.16 0.02 0.00 0.00 176.35 174.02 2kc0 s PRO 145 N -5.25 3.74 -1.19 1.29 0.04 -1.26 -5.00 135.00 127.38 2kc0 s PRO 145 Ca 0.60 0.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 2kc0 s PRO 145 Cb -0.13 -2.11 0.23 0.00 0.04 0.00 0.00 34.50 32.52 2kc0 s PRO 145 CO 0.53 -0.43 1.85 0.39 0.04 0.00 0.00 177.00 179.38 2kc0 n GLU 146 N -2.25 4.38 -0.32 4.56 1.02 -1.26 -4.93 120.64 121.83 2kc0 n GLU 146 Ca 0.06 -4.01 -0.08 0.00 -0.02 0.00 0.00 57.16 53.11 2kc0 n GLU 146 Cb 0.54 -2.67 0.06 0.00 -0.02 0.00 0.00 31.44 29.36 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kc0 n GLY 147 N 1.67 -2.31 0.00 0.62 0.00 -1.26 -4.78 105.19 99.13 2kc0 n GLY 147 Ca 0.41 -1.50 -0.00 0.00 0.00 0.00 0.00 46.02 44.93 2kc0 n GLY 147 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kc0 h GLY 148 N -0.99 0.00 -3.07 -0.02 0.00 -1.93 -0.41 103.07 96.65 2kc0 h GLY 148 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 2kc0 h GLY 148 CO 0.07 0.00 -0.58 1.09 0.00 0.00 0.00 176.54 177.12 2kc0 s ARG 149 N -1.02 0.80 -0.19 4.80 1.70 -1.26 -1.43 118.95 122.35 2kc0 s ARG 149 Ca -0.00 -1.24 0.01 0.00 -0.47 0.00 0.00 55.73 54.03 2kc0 s ARG 149 Cb 0.00 0.26 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 2kc0 s ARG 149 CO 0.00 -0.21 -0.14 0.00 -1.08 0.00 0.00 175.30 173.87 2kc0 s ALA 150 N -3.95 2.12 0.39 7.88 0.00 -0.15 -4.80 121.76 123.24 2kc0 s ALA 150 Ca 0.13 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 50.64 2kc0 s ALA 150 Cb 0.07 -1.22 -0.09 0.00 0.00 0.00 0.00 23.12 21.88 2kc0 s ALA 150 CO -0.06 -0.61 1.17 0.99 0.00 0.00 0.00 175.76 177.26 2kc0 s THR 151 N 1.36 3.15 0.01 0.00 2.01 -1.26 -1.39 115.64 119.52 2kc0 s THR 151 Ca 0.01 0.99 0.02 0.00 0.31 0.00 0.00 61.69 63.02 2kc0 s THR 151 Cb -0.15 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 2kc0 s THR 151 CO -0.10 0.11 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.58 2kc0 s TYR 152 N -1.38 0.51 -0.18 4.92 2.02 -0.13 -4.68 117.35 118.43 2kc0 s TYR 152 Ca 0.55 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.98 2kc0 s TYR 152 Cb -0.31 -0.32 -0.02 0.00 -0.40 0.00 0.00 41.96 40.91 2kc0 s TYR 152 CO 0.40 -0.04 -0.04 0.50 -1.57 0.00 0.00 175.55 174.79 2kc0 s ARG 153 N -0.68 3.55 0.25 -0.62 6.06 -0.80 -2.26 118.95 124.46 2kc0 s ARG 153 Ca -0.03 -0.57 -0.19 0.00 -2.50 0.00 0.00 55.73 52.44 2kc0 s ARG 153 Cb -0.05 -2.93 0.02 0.00 0.06 0.00 0.00 34.95 32.05 2kc0 s ARG 153 CO -0.00 0.09 0.64 0.20 -2.50 0.00 0.00 175.30 173.72 2kc0 s GLY 154 N 0.76 -0.03 -0.14 8.12 0.00 -1.24 -1.15 107.32 113.63 2kc0 s GLY 154 Ca -0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.32 2kc0 s GLY 154 CO 0.02 -0.19 0.05 -1.59 0.00 0.00 0.00 173.10 171.40 2kc0 s THR 155 N -3.91 4.75 -0.29 0.90 2.01 -0.26 -1.25 115.64 117.59 2kc0 s THR 155 Ca 0.12 -0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 2kc0 s THR 155 Cb -0.04 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2kc0 s THR 155 CO 0.04 0.53 0.20 0.00 -0.69 0.00 0.00 174.62 174.69 2kc0 s ALA 156 N -0.20 3.51 -0.27 7.40 0.00 -0.02 -3.55 121.76 128.63 2kc0 s ALA 156 Ca 0.07 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.92 2kc0 s ALA 156 Cb -0.12 -2.50 0.07 0.00 0.00 0.00 0.00 23.12 20.57 2kc0 s ALA 156 CO 0.01 -0.63 -0.06 -0.59 0.00 0.00 0.00 175.76 174.50 2kc0 s PHE 157 N 1.75 3.17 0.15 0.00 -0.71 -1.22 -1.61 117.98 119.51 2kc0 s PHE 157 Ca 0.07 -2.35 -0.16 0.00 -1.04 0.00 0.00 56.93 53.44 2kc0 s PHE 157 Cb -0.16 -2.08 0.03 0.00 -1.21 0.00 0.00 43.02 39.60 2kc0 s PHE 157 CO 0.11 -0.88 0.42 0.20 -1.34 0.00 0.00 175.22 173.73 2kc0 s GLY 158 N 1.13 -0.18 0.00 1.99 0.00 -1.26 -1.47 107.32 107.53 2kc0 s GLY 158 Ca -0.03 -0.15 0.09 0.00 0.00 0.00 0.00 44.72 44.62 2kc0 s GLY 158 CO -0.07 -0.34 0.98 -1.14 0.00 0.00 0.00 173.10 172.54 2kc0 n SER 159 N -0.25 0.00 -0.00 1.64 3.41 -1.26 -0.96 113.62 116.20 2kc0 n SER 159 Ca -0.14 -0.29 0.08 0.00 -0.26 0.00 0.00 58.87 58.27 2kc0 n SER 159 Cb 0.63 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 2kc0 n SER 159 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kc0 n ASP 160 N -0.99 0.86 0.00 4.04 8.00 -1.26 -4.75 116.55 122.44 2kc0 n ASP 160 Ca 0.07 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.95 2kc0 n ASP 160 Cb 0.03 1.26 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 2kc0 n ASP 160 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2kc0 n ASP 161 N -1.63 1.77 -1.56 -2.24 5.68 -0.99 -4.28 116.55 113.30 2kc0 n ASP 161 Ca 0.01 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.19 2kc0 n ASP 161 Cb 0.33 0.08 -0.04 0.00 -1.14 0.00 0.00 41.12 40.35 2kc0 n ASP 161 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kc0 n ALA 162 N -1.56 -0.30 -1.10 2.12 0.00 -0.13 -4.62 120.51 114.91 2kc0 n ALA 162 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2kc0 n ALA 162 Cb 0.20 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2kc0 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kc0 n GLY 163 N -0.33 0.49 3.60 0.00 0.00 -1.26 -4.93 105.19 102.76 2kc0 n GLY 163 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 2kc0 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kc0 s GLY 164 N 0.00 1.58 0.03 -0.02 0.00 -0.63 -4.90 107.32 103.38 2kc0 s GLY 164 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.36 2kc0 s GLY 164 CO 0.00 0.53 0.65 -1.59 0.00 0.00 0.00 173.10 172.70 2kc0 s LYS 165 N -4.69 1.14 0.24 2.90 0.00 -1.26 -0.84 119.74 117.23 2kc0 s LYS 165 Ca 0.66 -0.02 0.01 0.00 0.00 0.00 0.00 55.97 56.62 2kc0 s LYS 165 Cb -0.22 0.53 -0.05 0.00 0.00 0.00 0.00 37.83 38.09 2kc0 s LYS 165 CO 0.61 -0.42 0.10 -0.48 0.00 0.00 0.00 175.35 175.17 2kc0 s LEU 166 N -1.79 1.51 -0.23 2.77 -0.00 -0.38 -3.48 118.68 117.09 2kc0 s LEU 166 Ca -0.06 -1.39 -0.01 0.00 -0.00 0.00 0.00 54.13 52.67 2kc0 s LEU 166 Cb -0.00 0.11 0.02 0.00 -0.00 0.00 0.00 46.19 46.32 2kc0 s LEU 166 CO 0.01 -0.76 -0.09 -0.89 -0.00 0.00 0.00 176.35 174.62 2kc0 s THR 167 N -3.86 2.75 0.16 5.48 2.01 -0.83 -3.73 115.64 117.62 2kc0 s THR 167 Ca 0.38 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.55 2kc0 s THR 167 Cb 0.08 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2kc0 s THR 167 CO 0.13 0.32 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.91 2kc0 s TYR 168 N 1.34 2.53 0.04 4.92 1.51 -0.96 -2.23 117.35 124.49 2kc0 s TYR 168 Ca 0.02 -0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 55.73 2kc0 s TYR 168 Cb -0.15 -1.28 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 2kc0 s TYR 168 CO -0.06 0.47 0.18 -0.08 -1.11 0.00 0.00 175.55 174.95 2kc0 s THR 169 N -1.50 0.11 -0.15 -0.71 -1.32 -1.14 -0.96 115.64 109.96 2kc0 s THR 169 Ca 0.22 -0.90 -0.04 0.00 -1.21 0.00 0.00 61.69 59.76 2kc0 s THR 169 Cb -0.09 -0.88 0.05 0.00 -1.51 0.00 0.00 72.50 70.07 2kc0 s THR 169 CO 0.12 -0.50 0.06 -0.51 -2.21 0.00 0.00 174.62 171.59 2kc0 s ILE 170 N -2.49 0.17 -1.34 5.08 2.07 -0.48 -2.27 121.20 121.94 2kc0 s ILE 170 Ca -0.06 -0.20 -0.17 0.00 -1.41 0.00 0.00 60.65 58.81 2kc0 s ILE 170 Cb -0.01 -0.68 0.06 0.00 0.13 0.00 0.00 42.46 41.96 2kc0 s ILE 170 CO -0.04 -0.15 1.86 0.47 -1.91 0.00 0.00 174.94 175.17 2kc0 n ASP 171 N 5.19 4.68 -0.34 4.50 8.00 0.32 -0.98 116.55 137.92 2kc0 n ASP 171 Ca -0.07 -2.90 0.16 0.00 0.71 0.00 0.00 54.79 52.68 2kc0 n ASP 171 Cb 0.49 -1.72 0.31 0.00 -0.02 0.00 0.00 41.12 40.17 2kc0 n ASP 171 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2kc0 n PHE 172 N 7.76 0.66 0.05 1.24 3.01 -0.56 -0.64 117.46 128.98 2kc0 n PHE 172 Ca 0.50 1.19 0.02 0.00 1.01 0.00 0.00 57.45 60.17 2kc0 n PHE 172 Cb 0.44 -1.26 0.37 0.00 -0.01 0.00 0.00 39.48 39.02 2kc0 n PHE 172 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kc0 h ALA 173 N 1.98 1.53 -0.02 4.37 0.00 0.13 -2.11 119.26 125.14 2kc0 h ALA 173 Ca 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2kc0 h ALA 173 Cb 1.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kc0 h ALA 173 CO -0.92 0.35 -0.17 0.00 0.00 0.00 0.00 179.25 178.51 2kc0 n ALA 174 N -2.48 2.84 -2.07 0.00 0.00 -0.45 -5.01 120.51 113.32 2kc0 n ALA 174 Ca 0.01 -0.62 -0.21 0.00 0.00 0.00 0.00 53.44 52.62 2kc0 n ALA 174 Cb 0.20 -0.66 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 2kc0 n ALA 174 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kc0 n LYS 175 N 0.59 -1.59 -4.00 0.00 4.76 0.19 -4.92 118.16 113.19 2kc0 n LYS 175 Ca 0.10 1.11 -0.35 0.00 -2.87 0.00 0.00 58.31 56.30 2kc0 n LYS 175 Cb 0.45 -5.66 -0.12 0.00 -1.84 0.00 0.00 35.03 27.86 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2kc0 s GLN 176 N -4.52 3.70 0.59 1.97 -0.21 -1.15 -4.19 119.66 115.85 2kc0 s GLN 176 Ca 0.00 -0.47 -0.08 0.00 0.02 0.00 0.00 55.36 54.83 2kc0 s GLN 176 Cb 0.00 -3.16 -0.01 0.00 1.00 0.00 0.00 33.01 30.83 2kc0 s GLN 176 CO 0.00 0.02 0.94 0.20 -2.12 0.00 0.00 175.29 174.33 2kc0 s GLY 177 N 1.01 1.59 0.19 3.09 0.00 -0.39 -0.52 107.32 112.29 2kc0 s GLY 177 Ca 0.03 -0.43 -0.24 0.00 0.00 0.00 0.00 44.72 44.08 2kc0 s GLY 177 CO 0.02 -0.17 0.82 0.21 0.00 0.00 0.00 173.10 173.99 2kc0 s ASN 178 N -4.23 -0.27 0.11 1.64 3.04 -0.96 -1.29 114.94 112.99 2kc0 s ASN 178 Ca 0.53 -0.41 -0.07 0.00 0.04 0.00 0.00 52.86 52.95 2kc0 s ASN 178 Cb -0.11 0.58 0.03 0.00 -1.54 0.00 0.00 41.25 40.22 2kc0 s ASN 178 CO 0.48 -1.06 0.37 0.61 -3.04 0.00 0.00 177.10 174.47 2kc0 n GLY 179 N -0.44 1.28 3.63 1.21 0.00 -1.26 -2.89 105.19 106.73 2kc0 n GLY 179 Ca -0.07 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 2kc0 n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s LYS 180 N -2.03 0.51 -0.14 1.61 -2.85 -0.95 -3.13 119.74 112.77 2kc0 s LYS 180 Ca 0.08 0.57 -0.04 0.00 -1.00 0.00 0.00 55.97 55.57 2kc0 s LYS 180 Cb -0.02 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.97 2kc0 s LYS 180 CO 0.03 -0.07 0.01 0.42 0.10 0.00 0.00 175.35 175.85 2kc0 s ILE 181 N 0.15 4.39 -0.32 3.79 -1.09 -0.07 -1.96 121.20 126.08 2kc0 s ILE 181 Ca 0.03 -0.20 0.17 0.00 -2.23 0.00 0.00 60.65 58.42 2kc0 s ILE 181 Cb -0.05 -2.91 0.45 0.00 -1.58 0.00 0.00 42.46 38.37 2kc0 s ILE 181 CO -0.06 0.53 1.33 1.21 -1.23 0.00 0.00 174.94 176.72 2kc0 n GLU 182 N 2.94 1.46 -2.83 2.79 2.13 -1.23 -2.87 120.64 123.03 2kc0 n GLU 182 Ca -0.18 -2.25 -0.11 0.00 0.66 0.00 0.00 57.16 55.29 2kc0 n GLU 182 Cb 0.53 -0.47 0.03 0.00 0.27 0.00 0.00 31.44 31.79 2kc0 n GLU 182 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kc0 n HIS 183 N -1.01 -2.85 -4.25 4.31 -0.00 -1.26 -4.96 115.22 105.20 2kc0 n HIS 183 Ca -0.06 -2.06 -0.23 0.00 0.46 0.00 0.00 57.72 55.83 2kc0 n HIS 183 Cb 0.84 1.22 -0.07 0.00 -0.12 0.00 0.00 29.99 31.86 2kc0 n HIS 183 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kc0 s LEU 184 N -0.69 3.14 0.50 0.27 2.01 -1.26 -4.10 118.68 118.55 2kc0 s LEU 184 Ca 0.32 -0.79 0.17 0.00 0.01 0.00 0.00 54.13 53.85 2kc0 s LEU 184 Cb 0.21 -1.61 1.24 0.00 0.01 0.00 0.00 46.19 46.03 2kc0 s LEU 184 CO -0.22 -0.16 2.08 0.07 1.01 0.00 0.00 176.35 179.14 2kc0 h LYS 185 N 1.77 0.10 -5.92 1.70 2.10 -1.93 -3.40 116.57 110.99 2kc0 h LYS 185 Ca -0.44 -0.01 -0.56 0.00 -2.00 0.00 0.00 60.65 57.65 2kc0 h LYS 185 Cb 1.25 -0.02 -0.27 0.00 -0.90 0.00 0.00 32.23 32.29 2kc0 h LYS 185 CO 0.63 0.07 -0.84 -1.12 -2.00 0.00 0.00 179.45 176.19 2kc0 s SER 186 N -6.70 2.30 0.34 7.07 0.01 -1.26 -5.07 113.70 110.40 2kc0 s SER 186 Ca -0.06 -0.47 0.14 0.00 1.31 0.00 0.00 55.95 56.87 2kc0 s SER 186 Cb 0.18 -0.20 0.62 0.00 0.21 0.00 0.00 66.02 66.83 2kc0 s SER 186 CO 0.70 0.16 1.75 1.55 0.41 0.00 0.00 173.24 177.81 2kc0 h PRO 187 N 5.09 0.00 -0.43 12.44 0.13 -2.01 -2.66 132.00 144.57 2kc0 h PRO 187 Ca -0.41 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.85 2kc0 h PRO 187 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2kc0 h PRO 187 CO 0.45 0.45 0.36 0.93 -0.23 0.00 0.00 178.00 179.95 2kc0 h GLU 188 N 0.00 0.00 0.00 0.86 5.08 -1.96 -2.30 114.58 116.26 2kc0 h GLU 188 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kc0 h GLU 188 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2kc0 h GLU 188 CO 0.06 0.00 0.00 -0.07 -1.00 0.00 0.00 179.01 178.00 2kc0 h LEU 189 N 0.00 0.00 -9.57 1.33 3.38 -1.80 -3.25 115.31 105.39 2kc0 h LEU 189 Ca 0.20 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.65 2kc0 h LEU 189 Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.68 2kc0 h LEU 189 CO -0.00 0.00 0.60 0.20 0.09 0.00 0.00 178.44 179.33 2kc0 s ASN 190 N -4.57 7.02 0.07 -0.43 0.02 -0.87 -4.14 114.94 112.04 2kc0 s ASN 190 Ca 0.10 2.18 0.06 0.00 -1.02 0.00 0.00 52.86 54.17 2kc0 s ASN 190 Cb 0.12 -2.59 -0.03 0.00 0.02 0.00 0.00 41.25 38.76 2kc0 s ASN 190 CO 0.57 -0.48 -0.15 0.68 0.02 0.00 0.00 177.10 177.74 2kc0 s VAL 191 N 0.61 1.22 0.42 1.60 -7.23 -1.14 -4.55 120.40 111.33 2kc0 s VAL 191 Ca 0.58 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 59.30 2kc0 s VAL 191 Cb -0.33 -1.15 -0.07 0.00 0.56 0.00 0.00 36.38 35.40 2kc0 s VAL 191 CO 0.33 -0.18 0.81 -1.81 -0.31 0.00 0.00 175.10 173.94 2kc0 s ASP 192 N -1.72 6.57 -0.08 4.85 1.01 -1.26 -0.90 116.67 125.15 2kc0 s ASP 192 Ca -0.00 1.24 -0.01 0.00 0.71 0.00 0.00 52.55 54.49 2kc0 s ASP 192 Cb -0.10 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 2kc0 s ASP 192 CO 0.03 -0.41 -0.03 -0.76 0.21 0.00 0.00 175.17 174.20 2kc0 s LEU 193 N -3.79 3.39 -0.04 1.23 1.02 -1.18 -3.99 118.68 115.32 2kc0 s LEU 193 Ca 0.53 0.06 -0.30 0.00 0.02 0.00 0.00 54.13 54.45 2kc0 s LEU 193 Cb -0.10 -1.76 -0.06 0.00 0.02 0.00 0.00 46.19 44.29 2kc0 s LEU 193 CO 0.30 0.36 1.66 0.00 0.02 0.00 0.00 176.35 178.69 2kc0 s ALA 194 N -0.80 3.62 0.31 4.21 0.00 -0.42 -4.34 121.76 124.34 2kc0 s ALA 194 Ca 0.12 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 2kc0 s ALA 194 Cb -0.11 -3.75 -0.13 0.00 0.00 0.00 0.00 23.12 19.14 2kc0 s ALA 194 CO 0.02 -1.38 1.28 0.00 0.00 0.00 0.00 175.76 175.68 2kc0 n ALA 195 N 7.04 1.09 -2.18 0.00 0.00 -1.26 -4.25 120.51 120.96 2kc0 n ALA 195 Ca 0.17 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.88 2kc0 n ALA 195 Cb 0.43 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 2kc0 n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kc0 s ALA 196 N -0.87 1.02 0.45 0.00 0.00 -0.41 -4.93 121.76 117.00 2kc0 s ALA 196 Ca 0.58 -1.52 0.04 0.00 0.00 0.00 0.00 51.96 51.06 2kc0 s ALA 196 Cb -0.60 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2kc0 s ALA 196 CO 0.59 -0.45 0.02 0.16 0.00 0.00 0.00 175.76 176.08 2kc0 s ASP 197 N -3.09 3.72 0.07 0.00 -4.77 -1.26 -1.27 116.67 110.07 2kc0 s ASP 197 Ca 0.25 -1.53 -0.30 0.00 -3.30 0.00 0.00 52.55 47.67 2kc0 s ASP 197 Cb 0.07 0.14 -0.05 0.00 -1.09 0.00 0.00 42.92 41.99 2kc0 s ASP 197 CO 0.03 -0.70 1.10 -0.63 0.70 0.00 0.00 175.17 175.68 2kc0 s ILE 198 N -2.90 4.27 0.07 2.11 -1.09 -1.26 -3.66 121.20 118.75 2kc0 s ILE 198 Ca 0.21 1.70 -0.08 0.00 -2.23 0.00 0.00 60.65 60.25 2kc0 s ILE 198 Cb 0.05 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 2kc0 s ILE 198 CO 0.11 0.17 0.36 -0.54 -1.23 0.00 0.00 174.94 173.81 2kc0 s LYS 199 N 0.70 3.68 0.00 2.79 1.02 -0.33 -4.98 119.74 122.62 2kc0 s LYS 199 Ca 0.54 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.59 2kc0 s LYS 199 Cb -0.27 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2kc0 s LYS 199 CO 0.30 0.57 0.62 -0.35 -0.92 0.00 0.00 175.35 175.56 2kc0 n PRO 200 N 0.80 0.00 -0.29 -1.68 -0.04 -1.26 -2.98 135.00 129.55 2kc0 n PRO 200 Ca -0.08 0.27 -0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2kc0 n PRO 200 Cb 0.52 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2kc0 n PRO 200 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kc0 n ASP 201 N -1.32 -1.60 -0.37 3.54 8.00 -1.26 -4.23 116.55 119.30 2kc0 n ASP 201 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kc0 n ASP 201 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.79 2kc0 n ASP 201 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kc0 n GLY 202 N 0.26 0.00 0.32 0.44 0.00 -1.25 -4.20 105.19 100.76 2kc0 n GLY 202 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.20 2kc0 n GLY 202 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kc0 h LYS 203 N 0.58 0.00 0.00 1.61 2.10 -2.01 -3.36 116.57 115.50 2kc0 h LYS 203 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kc0 h LYS 203 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2kc0 h LYS 203 CO 0.00 0.00 -0.13 0.54 -2.00 0.00 0.00 179.45 177.86 2kc0 n ARG 204 N -3.50 0.00 -3.84 0.07 5.12 -1.26 -5.14 116.66 108.11 2kc0 n ARG 204 Ca -0.03 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.82 2kc0 n ARG 204 Cb 0.10 -0.16 -0.01 0.00 -1.16 0.00 0.00 32.46 31.23 2kc0 n ARG 204 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 2kc0 s HIS 205 N -2.00 -0.11 1.14 -1.55 -3.43 -1.26 -4.20 115.29 103.89 2kc0 s HIS 205 Ca 0.00 -0.41 -0.19 0.00 -0.80 0.00 0.00 55.06 53.66 2kc0 s HIS 205 Cb 0.00 0.74 0.29 0.00 -1.43 0.00 0.00 32.58 32.18 2kc0 s HIS 205 CO 0.00 -1.32 0.92 0.00 -2.00 0.00 0.00 174.74 172.34 2kc0 n ALA 206 N -0.48 -3.43 -3.01 -1.38 0.00 -1.26 -3.78 120.51 107.17 2kc0 n ALA 206 Ca -0.05 -1.42 -0.10 0.00 0.00 0.00 0.00 53.44 51.87 2kc0 n ALA 206 Cb 0.59 -0.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 2kc0 n ALA 206 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kc0 s VAL 207 N -2.56 0.10 -0.19 0.00 1.01 -1.16 -4.81 120.40 112.79 2kc0 s VAL 207 Ca 0.62 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 2kc0 s VAL 207 Cb -0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 2kc0 s VAL 207 CO 0.48 -0.47 -0.04 -0.63 0.00 0.00 0.00 175.10 174.44 2kc0 s ILE 208 N -1.43 3.53 -0.18 2.22 -1.09 -0.13 -1.19 121.20 122.93 2kc0 s ILE 208 Ca -0.16 -0.46 -0.03 0.00 -2.23 0.00 0.00 60.65 57.78 2kc0 s ILE 208 Cb -0.09 -2.58 0.06 0.00 -1.58 0.00 0.00 42.46 38.27 2kc0 s ILE 208 CO -0.00 0.45 0.04 -0.55 -1.23 0.00 0.00 174.94 173.64 2kc0 s SER 209 N 1.05 2.76 0.24 3.58 0.15 -1.24 -1.85 113.70 118.40 2kc0 s SER 209 Ca 0.01 -0.75 0.05 0.00 0.70 0.00 0.00 55.95 55.95 2kc0 s SER 209 Cb -0.15 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.60 2kc0 s SER 209 CO 0.00 -0.30 0.17 0.61 1.20 0.00 0.00 173.24 174.91 2kc0 n GLY 210 N 5.08 3.33 3.58 9.45 0.00 -0.18 -4.59 105.19 121.86 2kc0 n GLY 210 Ca -0.09 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 2kc0 n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kc0 s SER 211 N -2.63 4.24 -0.05 1.61 0.01 -1.26 -1.15 113.70 114.46 2kc0 s SER 211 Ca 0.24 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 2kc0 s SER 211 Cb 0.01 -0.69 0.04 0.00 0.21 0.00 0.00 66.02 65.59 2kc0 s SER 211 CO 0.17 0.06 0.12 -0.69 0.41 0.00 0.00 173.24 173.30 2kc0 s VAL 212 N -2.04 -0.06 1.12 3.43 1.01 -1.22 -1.30 120.40 121.34 2kc0 s VAL 212 Ca 0.28 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.26 2kc0 s VAL 212 Cb -0.07 -0.20 0.27 0.00 0.00 0.00 0.00 36.38 36.37 2kc0 s VAL 212 CO 0.17 0.08 1.21 0.18 0.00 0.00 0.00 175.10 176.74 2kc0 n LEU 213 N 4.23 0.00 -3.69 3.92 4.77 -1.26 -0.70 117.00 124.28 2kc0 n LEU 213 Ca -0.27 -1.31 -0.10 0.00 -0.03 0.00 0.00 56.01 54.30 2kc0 n LEU 213 Cb 0.51 -1.02 -0.11 0.00 -2.33 0.00 0.00 43.42 40.48 2kc0 n LEU 213 CO 0.19 -1.83 0.05 -0.47 -1.33 0.00 0.00 177.39 173.99 2kc0 s TYR 214 N -3.44 -0.64 -1.44 -1.77 5.04 -0.59 -4.65 117.35 109.87 2kc0 s TYR 214 Ca 0.74 1.33 -0.10 0.00 -2.44 0.00 0.00 57.07 56.59 2kc0 s TYR 214 Cb -0.05 0.27 0.07 0.00 0.35 0.00 0.00 41.96 42.60 2kc0 s TYR 214 CO 0.54 -0.37 0.71 -1.71 -1.34 0.00 0.00 175.55 173.38 2kc0 n ASN 215 N 4.48 -4.64 -4.12 4.32 5.15 -1.26 -0.70 115.26 118.49 2kc0 n ASN 215 Ca -0.21 -0.52 -0.34 0.00 -0.60 0.00 0.00 54.58 52.92 2kc0 n ASN 215 Cb 0.54 -3.76 -0.01 0.00 -0.53 0.00 0.00 39.78 36.02 2kc0 n ASN 215 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kc0 n GLN 216 N -4.16 -3.84 0.00 1.20 1.13 -1.23 -4.85 117.38 105.62 2kc0 n GLN 216 Ca -0.01 0.44 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 2kc0 n GLN 216 Cb 0.55 -5.17 0.00 0.00 0.11 0.00 0.00 30.24 25.73 2kc0 n GLN 216 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kc0 n ALA 217 N -4.47 0.00 -0.85 -1.58 0.00 0.12 -5.14 120.51 108.59 2kc0 n ALA 217 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kc0 n ALA 217 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2kc0 n ALA 217 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kc0 n GLU 218 N 0.00 0.00 -3.15 0.00 4.07 -1.24 -1.54 120.64 118.78 2kc0 n GLU 218 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 2kc0 n GLU 218 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 2kc0 n GLU 218 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2kc0 s LYS 219 N 0.00 0.56 0.00 5.31 1.02 -1.26 -4.82 119.74 120.55 2kc0 s LYS 219 Ca 0.00 0.89 0.00 0.00 0.02 0.00 0.00 55.97 56.88 2kc0 s LYS 219 Cb 0.00 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 37.79 2kc0 s LYS 219 CO 0.00 -0.71 0.00 0.41 -0.92 0.00 0.00 175.35 174.13 2kc0 n GLY 220 N 5.43 5.35 3.35 -3.33 0.00 0.13 -3.71 105.19 112.41 2kc0 n GLY 220 Ca 0.00 -2.11 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 2kc0 n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 221 N -0.14 -0.36 -0.01 1.61 1.04 0.64 -3.40 113.70 113.07 2kc0 s SER 221 Ca 0.00 0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.57 2kc0 s SER 221 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2kc0 s SER 221 CO 0.00 -0.62 0.10 -0.72 0.98 0.00 0.00 173.24 172.98 2kc0 s TYR 222 N -1.99 0.02 -0.11 5.02 1.13 -0.30 -1.27 117.35 119.85 2kc0 s TYR 222 Ca -0.08 -0.04 -0.05 0.00 -1.41 0.00 0.00 57.07 55.49 2kc0 s TYR 222 Cb -0.02 -0.04 0.05 0.00 -1.10 0.00 0.00 41.96 40.85 2kc0 s TYR 222 CO 0.01 -0.19 0.23 0.45 -2.51 0.00 0.00 175.55 173.55 2kc0 s SER 223 N -0.88 0.10 0.23 -0.18 0.15 0.07 -1.01 113.70 112.18 2kc0 s SER 223 Ca -0.10 0.50 -0.17 0.00 0.70 0.00 0.00 55.95 56.88 2kc0 s SER 223 Cb -0.06 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.73 2kc0 s SER 223 CO 0.01 -0.20 0.56 -1.48 1.20 0.00 0.00 173.24 173.33 2kc0 s LEU 224 N 1.78 0.07 0.22 3.45 0.05 -0.77 -1.06 118.68 122.42 2kc0 s LEU 224 Ca -0.04 -0.66 -0.00 0.00 0.05 0.00 0.00 54.13 53.48 2kc0 s LEU 224 Cb -0.11 2.18 -0.04 0.00 -2.05 0.00 0.00 46.19 46.16 2kc0 s LEU 224 CO -0.08 -1.16 0.12 -0.83 -0.55 0.00 0.00 176.35 173.85 2kc0 s GLY 225 N -2.93 1.55 0.15 -3.48 0.00 -0.69 -0.95 107.32 100.96 2kc0 s GLY 225 Ca 0.14 -1.76 -0.25 0.00 0.00 0.00 0.00 44.72 42.85 2kc0 s GLY 225 CO 0.04 -1.47 0.76 -0.42 0.00 0.00 0.00 173.10 172.01 2kc0 s ILE 226 N -4.01 4.42 0.03 0.90 1.01 -1.26 -2.32 121.20 119.97 2kc0 s ILE 226 Ca 0.39 1.67 0.05 0.00 0.00 0.00 0.00 60.65 62.76 2kc0 s ILE 226 Cb 0.07 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2kc0 s ILE 226 CO 0.13 0.51 -0.16 -0.36 0.00 0.00 0.00 174.94 175.06 2kc0 s PHE 227 N -1.06 1.40 0.00 3.97 0.40 -0.26 -4.88 117.98 117.55 2kc0 s PHE 227 Ca 0.35 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2kc0 s PHE 227 Cb -0.23 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.46 2kc0 s PHE 227 CO 0.26 0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.62 2kc0 n GLY 228 N 2.05 -3.20 0.62 4.36 0.00 -1.26 -2.31 105.19 105.44 2kc0 n GLY 228 Ca -0.17 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2kc0 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kc0 n GLY 229 N 0.26 0.72 1.12 -0.02 0.00 -1.26 -2.46 105.19 103.54 2kc0 n GLY 229 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2kc0 n GLY 229 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kc0 n LYS 230 N 0.40 0.00 -2.65 1.61 4.81 -1.26 -4.70 118.16 116.37 2kc0 n LYS 230 Ca 0.00 -1.27 -0.01 0.00 -0.87 0.00 0.00 58.31 56.16 2kc0 n LYS 230 Cb 0.14 0.28 -0.01 0.00 0.02 0.00 0.00 35.03 35.46 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kc0 n ALA 231 N 0.16 -3.52 0.00 3.14 0.00 -1.03 -5.06 120.51 114.21 2kc0 n ALA 231 Ca -0.14 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2kc0 n ALA 231 Cb 0.84 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2kc0 n ALA 231 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2kc0 n GLN 232 N 0.84 0.00 -3.85 0.00 7.27 -1.18 -4.99 117.38 115.48 2kc0 n GLN 232 Ca -0.07 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.93 2kc0 n GLN 232 Cb 0.10 -0.42 -0.01 0.00 2.41 0.00 0.00 30.24 32.33 2kc0 n GLN 232 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2kc0 s GLU 233 N -2.00 1.93 -0.01 3.69 -1.05 -0.98 -2.63 118.70 117.66 2kc0 s GLU 233 Ca 0.00 -1.14 0.01 0.00 -0.15 0.00 0.00 54.97 53.69 2kc0 s GLU 233 Cb 0.00 0.61 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 2kc0 s GLU 233 CO 0.00 -0.89 -0.04 0.14 0.95 0.00 0.00 175.26 175.42 2kc0 s VAL 234 N -3.41 0.35 0.02 1.83 -7.23 -0.21 -1.10 120.40 110.64 2kc0 s VAL 234 Ca 0.13 -0.16 -0.08 0.00 -1.81 0.00 0.00 61.98 60.06 2kc0 s VAL 234 Cb -0.06 -0.31 -0.00 0.00 0.56 0.00 0.00 36.38 36.57 2kc0 s VAL 234 CO 0.08 0.11 0.15 0.00 -0.31 0.00 0.00 175.10 175.13 2kc0 s ALA 235 N 0.05 -0.29 0.00 1.32 0.00 -0.98 -2.71 121.76 119.15 2kc0 s ALA 235 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2kc0 s ALA 235 Cb -0.04 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2kc0 s ALA 235 CO -0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2kc0 n GLY 236 N 1.12 -0.66 3.15 0.00 0.00 -1.25 -1.71 105.19 105.83 2kc0 n GLY 236 Ca -0.21 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 2kc0 n GLY 236 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 237 N -4.00 0.19 0.01 1.61 1.04 -0.22 -1.97 113.70 110.35 2kc0 s SER 237 Ca 0.00 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.84 2kc0 s SER 237 Cb 0.00 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2kc0 s SER 237 CO 0.00 -0.61 -0.11 0.00 0.98 0.00 0.00 173.24 173.50 2kc0 s ALA 238 N -3.27 0.90 0.04 5.32 0.00 -0.23 -0.75 121.76 123.77 2kc0 s ALA 238 Ca 0.01 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.48 2kc0 s ALA 238 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2kc0 s ALA 238 CO -0.08 0.19 -0.21 -2.00 0.00 0.00 0.00 175.76 173.67 2kc0 s GLU 239 N -0.56 1.39 -0.08 0.00 -6.30 -0.40 -1.08 118.70 111.68 2kc0 s GLU 239 Ca 0.02 -0.93 -0.04 0.00 -2.50 0.00 0.00 54.97 51.53 2kc0 s GLU 239 Cb -0.05 -1.50 0.04 0.00 0.00 0.00 0.00 34.13 32.62 2kc0 s GLU 239 CO 0.00 0.38 0.18 0.54 0.02 0.00 0.00 175.26 176.39 2kc0 s VAL 240 N -0.79 -0.04 0.40 3.70 0.11 -0.51 -0.26 120.40 123.00 2kc0 s VAL 240 Ca 0.07 0.16 -0.25 0.00 -2.93 0.00 0.00 61.98 59.04 2kc0 s VAL 240 Cb -0.09 -0.29 -0.09 0.00 -1.53 0.00 0.00 36.38 34.39 2kc0 s VAL 240 CO 0.02 0.07 1.11 -0.54 -3.33 0.00 0.00 175.10 172.42 2kc0 s LYS 241 N 1.15 4.10 0.14 1.54 -0.14 -1.24 -0.69 119.74 124.59 2kc0 s LYS 241 Ca -0.09 1.68 0.02 0.00 -1.36 0.00 0.00 55.97 56.22 2kc0 s LYS 241 Cb -0.11 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.39 2kc0 s LYS 241 CO -0.07 -0.24 -0.03 0.99 -0.76 0.00 0.00 175.35 175.24 2kc0 s THR 242 N -1.52 0.67 0.64 2.17 2.01 -0.09 -4.64 115.64 114.89 2kc0 s THR 242 Ca 0.57 -1.96 0.34 0.00 0.31 0.00 0.00 61.69 60.95 2kc0 s THR 242 Cb -0.27 -1.91 0.36 0.00 0.01 0.00 0.00 72.50 70.70 2kc0 s THR 242 CO 0.33 -0.66 2.11 1.62 -0.69 0.00 0.00 174.62 177.33 2kc0 h VAL 243 N 2.83 0.16 -0.45 3.82 3.04 -1.97 0.32 116.25 123.99 2kc0 h VAL 243 Ca -0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2kc0 h VAL 243 Cb 1.19 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2kc0 h VAL 243 CO 0.63 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.78 2kc0 n ASN 244 N -3.27 2.65 0.00 3.17 3.02 -1.26 -5.03 115.26 114.55 2kc0 n ASN 244 Ca -0.01 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 2kc0 n ASN 244 Cb 0.29 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2kc0 n ASN 244 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kc0 n GLY 245 N 1.30 1.21 3.12 7.41 0.00 0.10 -5.02 105.19 113.32 2kc0 n GLY 245 Ca 0.17 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 2kc0 n GLY 245 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kc0 s ILE 246 N 0.00 0.62 0.03 -0.61 1.10 -1.26 -0.91 121.20 120.17 2kc0 s ILE 246 Ca 0.00 -1.57 0.00 0.00 -0.51 0.00 0.00 60.65 58.58 2kc0 s ILE 246 Cb 0.00 -1.22 -0.02 0.00 0.15 0.00 0.00 42.46 41.37 2kc0 s ILE 246 CO 0.00 -0.67 -0.04 -0.60 -2.11 0.00 0.00 174.94 171.52 2kc0 s ARG 247 N -2.87 0.42 0.09 3.50 6.06 0.14 -4.81 118.95 121.47 2kc0 s ARG 247 Ca 0.02 -0.75 0.06 0.00 -2.50 0.00 0.00 55.73 52.57 2kc0 s ARG 247 Cb -0.01 0.02 -0.03 0.00 0.06 0.00 0.00 34.95 34.98 2kc0 s ARG 247 CO -0.03 -0.03 -0.17 -1.01 -2.50 0.00 0.00 175.30 171.56 2kc0 s HIS 248 N -1.84 1.45 -0.01 5.12 3.76 -1.26 -1.43 115.29 121.08 2kc0 s HIS 248 Ca -0.11 -0.45 0.03 0.00 -0.15 0.00 0.00 55.06 54.38 2kc0 s HIS 248 Cb -0.07 -0.80 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 2kc0 s HIS 248 CO -0.02 0.12 -0.11 0.42 -0.85 0.00 0.00 174.74 174.31 2kc0 s ILE 249 N -1.32 0.86 0.20 0.60 1.01 -0.24 -4.16 121.20 118.16 2kc0 s ILE 249 Ca 0.02 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 2kc0 s ILE 249 Cb -0.10 -0.74 -0.08 0.00 0.01 0.00 0.00 42.46 41.56 2kc0 s ILE 249 CO 0.03 0.25 0.67 -0.83 0.00 0.00 0.00 174.94 175.07 2kc0 s GLY 250 N -0.13 2.55 -0.17 6.18 0.00 -0.54 -1.07 107.32 114.15 2kc0 s GLY 250 Ca 0.02 0.07 -0.08 0.00 0.00 0.00 0.00 44.72 44.73 2kc0 s GLY 250 CO -0.00 0.40 0.09 1.08 0.00 0.00 0.00 173.10 174.66 2kc0 s LEU 251 N -2.02 4.00 -0.32 0.66 2.01 -0.83 -3.38 118.68 118.79 2kc0 s LEU 251 Ca 0.42 0.19 0.00 0.00 0.01 0.00 0.00 54.13 54.75 2kc0 s LEU 251 Cb -0.16 -2.01 0.14 0.00 0.01 0.00 0.00 46.19 44.17 2kc0 s LEU 251 CO 0.20 0.23 0.28 0.00 1.01 0.00 0.00 176.35 178.07 2kc0 s ALA 252 N 0.05 -0.03 -0.08 4.21 0.00 -1.23 -3.85 121.76 120.82 2kc0 s ALA 252 Ca 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2kc0 s ALA 252 Cb -0.12 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.24 2kc0 s ALA 252 CO 0.00 -1.90 -0.14 0.00 0.00 0.00 0.00 175.76 173.73 2kc0 s ALA 253 N 1.82 1.47 0.05 0.00 0.00 -1.10 -1.10 121.76 122.90 2kc0 s ALA 253 Ca 0.13 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 2kc0 s ALA 253 Cb -0.16 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2kc0 s ALA 253 CO -0.19 0.04 0.01 -1.59 0.00 0.00 0.00 175.76 174.03 2kc0 s LYS 254 N 0.80 0.59 0.00 0.00 0.00 -0.30 -1.05 119.74 119.78 2kc0 s LYS 254 Ca -0.11 -1.05 0.17 0.00 0.00 0.00 0.00 55.97 54.97 2kc0 s LYS 254 Cb -0.16 0.21 1.01 0.00 0.00 0.00 0.00 37.83 38.89 2kc0 s LYS 254 CO 0.02 -0.12 1.41 0.94 0.00 0.00 0.00 175.35 177.60