#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kd4 h ALA 24 N 0.00 -0.01 0.00 0.00 0.00 -1.84 -3.22 119.26 114.19 3kd4 h ALA 24 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kd4 h ALA 24 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kd4 h ALA 24 CO 0.00 -0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 3kd4 n SER 25 N -4.71 0.70 0.06 0.00 3.41 -1.26 -4.20 113.62 107.63 3kd4 n SER 25 Ca -0.05 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 3kd4 n SER 25 Cb 0.24 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.38 3kd4 n SER 25 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kd4 n GLU 26 N -2.18 0.62 -3.47 4.33 -0.58 -1.25 -4.87 120.64 113.25 3kd4 n GLU 26 Ca 0.05 0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 3kd4 n GLU 26 Cb 0.38 -1.75 -0.03 0.00 -0.57 0.00 0.00 31.44 29.47 3kd4 n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kd4 s ALA 27 N -3.31 -1.45 -0.16 0.62 0.00 -1.22 -0.54 121.76 115.70 3kd4 s ALA 27 Ca -0.03 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.21 3kd4 s ALA 27 Cb 0.10 0.81 0.05 0.00 0.00 0.00 0.00 23.12 24.08 3kd4 s ALA 27 CO 0.82 -0.72 0.42 -2.00 0.00 0.00 0.00 175.76 174.27 3kd4 s GLU 28 N -3.66 0.44 -0.53 0.00 2.12 -0.28 -4.32 118.70 112.47 3kd4 s GLU 28 Ca 0.01 0.69 -0.24 0.00 0.36 0.00 0.00 54.97 55.79 3kd4 s GLU 28 Cb -0.00 0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.53 3kd4 s GLU 28 CO -0.12 -0.11 0.90 0.71 -0.54 0.00 0.00 175.26 176.10 3kd4 s TYR 29 N 0.83 2.85 0.16 5.30 2.02 -0.27 -0.44 117.35 127.79 3kd4 s TYR 29 Ca -0.05 -0.01 -0.13 0.00 -0.37 0.00 0.00 57.07 56.51 3kd4 s TYR 29 Cb -0.06 -3.98 0.05 0.00 -0.40 0.00 0.00 41.96 37.58 3kd4 s TYR 29 CO -0.06 -1.27 1.71 0.78 -1.57 0.00 0.00 175.55 175.14 3kd4 h GLY 30 N 10.74 0.88 -5.51 0.71 0.00 -1.63 0.16 103.07 108.42 3kd4 h GLY 30 Ca -0.26 -0.50 -0.20 0.00 0.00 0.00 0.00 47.33 46.37 3kd4 h GLY 30 CO 1.06 0.47 -0.58 0.54 0.00 0.00 0.00 176.54 178.02 3kd4 s LYS 31 N -5.50 0.13 -0.03 4.80 1.02 -1.22 -2.42 119.74 116.52 3kd4 s LYS 31 Ca -0.13 0.17 0.03 0.00 0.02 0.00 0.00 55.97 56.07 3kd4 s LYS 31 Cb 0.12 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 3kd4 s LYS 31 CO 0.79 -0.02 -0.12 0.08 -0.92 0.00 0.00 175.35 175.15 3kd4 s VAL 32 N 0.12 1.02 -0.03 3.17 1.01 0.01 -0.83 120.40 124.88 3kd4 s VAL 32 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3kd4 s VAL 32 Cb -0.01 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.50 3kd4 s VAL 32 CO -0.00 0.31 -0.00 -0.55 0.00 0.00 0.00 175.10 174.85 3kd4 s SER 33 N 0.12 0.52 -0.04 3.32 0.15 0.14 -0.66 113.70 117.26 3kd4 s SER 33 Ca -0.03 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.61 3kd4 s SER 33 Cb -0.09 -0.25 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 3kd4 s SER 33 CO 0.01 -0.10 -0.10 -0.54 1.20 0.00 0.00 173.24 173.71 3kd4 s LYS 34 N 1.05 1.23 -0.04 5.44 1.02 0.24 -0.77 119.74 127.90 3kd4 s LYS 34 Ca -0.09 -0.35 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 3kd4 s LYS 34 Cb -0.14 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 36.11 3kd4 s LYS 34 CO -0.02 0.09 0.01 0.00 -0.92 0.00 0.00 175.35 174.51 3kd4 s ALA 35 N 0.37 0.41 -0.11 5.17 0.00 0.33 -1.38 121.76 126.55 3kd4 s ALA 35 Ca -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 3kd4 s ALA 35 Cb -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 3kd4 s ALA 35 CO 0.01 -0.26 -0.07 -1.58 0.00 0.00 0.00 175.76 173.86 3kd4 s TRP 36 N 1.51 2.94 -0.06 0.00 0.51 -0.03 -0.50 118.94 123.31 3kd4 s TRP 36 Ca -0.03 -0.20 0.02 0.00 -2.12 0.00 0.00 56.10 53.77 3kd4 s TRP 36 Cb -0.13 -1.81 0.01 0.00 -0.81 0.00 0.00 33.47 30.73 3kd4 s TRP 36 CO -0.03 0.11 -0.12 0.99 -0.51 0.00 0.00 176.95 177.39 3kd4 s THR 37 N -0.22 1.13 -0.18 2.01 2.01 0.44 -1.07 115.64 119.76 3kd4 s THR 37 Ca 0.03 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 3kd4 s THR 37 Cb -0.13 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 3kd4 s THR 37 CO 0.03 0.35 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.06 3kd4 s LEU 38 N 0.58 3.23 0.38 4.42 2.96 -0.00 -0.99 118.68 129.24 3kd4 s LEU 38 Ca -0.13 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 3kd4 s LEU 38 Cb -0.15 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3kd4 s LEU 38 CO 0.03 0.12 0.56 -1.00 -1.32 0.00 0.00 176.35 174.75 3kd4 s HIS 39 N 0.66 3.27 0.44 5.38 3.76 0.03 -3.91 115.29 124.93 3kd4 s HIS 39 Ca -0.02 0.11 0.09 0.00 -0.15 0.00 0.00 55.06 55.10 3kd4 s HIS 39 Cb -0.14 -2.07 0.96 0.00 1.11 0.00 0.00 32.58 32.43 3kd4 s HIS 39 CO 0.02 -0.09 2.08 0.00 -0.85 0.00 0.00 174.74 175.90 3kd4 h ALA 40 N 0.67 1.77 0.00 -1.40 0.00 -2.00 -1.14 119.26 117.18 3kd4 h ALA 40 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kd4 h ALA 40 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kd4 h ALA 40 CO 0.57 0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.63 3kd4 n ASP 41 N -4.48 0.00 0.00 0.00 5.75 -1.26 -4.88 116.55 111.67 3kd4 n ASP 41 Ca 0.01 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 3kd4 n ASP 41 Cb 0.07 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3kd4 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kd4 n GLY 42 N 0.83 1.16 3.76 6.12 0.00 -0.43 -4.66 105.19 111.97 3kd4 n GLY 42 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3kd4 n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kd4 s SER 43 N -2.76 4.44 0.10 1.61 1.04 -1.26 -4.53 113.70 112.34 3kd4 s SER 43 Ca 0.00 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.35 3kd4 s SER 43 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 3kd4 s SER 43 CO 0.00 -2.08 -0.01 -1.10 0.98 0.00 0.00 173.24 171.03 3kd4 s GLN 44 N -4.68 0.83 -0.01 4.02 -0.21 -0.14 -0.79 119.66 118.68 3kd4 s GLN 44 Ca 0.63 -1.36 0.02 0.00 0.02 0.00 0.00 55.36 54.68 3kd4 s GLN 44 Cb -0.19 0.04 0.00 0.00 1.00 0.00 0.00 33.01 33.86 3kd4 s GLN 44 CO 0.53 -0.13 -0.06 -2.00 -2.12 0.00 0.00 175.29 171.51 3kd4 s GLU 45 N -3.93 0.55 -0.12 2.91 2.12 -0.17 -0.74 118.70 119.32 3kd4 s GLU 45 Ca 0.15 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.32 3kd4 s GLU 45 Cb 0.07 -0.54 0.01 0.00 0.26 0.00 0.00 34.13 33.92 3kd4 s GLU 45 CO -0.03 0.10 -0.23 -0.47 -0.54 0.00 0.00 175.26 174.08 3kd4 s TYR 46 N 0.04 2.59 -0.10 5.30 5.04 -0.15 -0.42 117.35 129.66 3kd4 s TYR 46 Ca -0.00 -1.18 0.02 0.00 -2.44 0.00 0.00 57.07 53.47 3kd4 s TYR 46 Cb -0.05 -1.75 0.01 0.00 0.35 0.00 0.00 41.96 40.53 3kd4 s TYR 46 CO -0.00 -0.51 -0.16 0.50 -1.34 0.00 0.00 175.55 174.04 3kd4 s ARG 47 N 0.58 2.21 -0.11 4.97 3.52 0.35 -0.49 118.95 129.98 3kd4 s ARG 47 Ca -0.13 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 3kd4 s ARG 47 Cb -0.17 -1.84 0.02 0.00 -1.56 0.00 0.00 34.95 31.41 3kd4 s ARG 47 CO 0.04 -0.01 -0.11 0.45 -0.81 0.00 0.00 175.30 174.85 3kd4 s SER 48 N 0.84 2.20 0.33 -2.12 0.15 0.08 -0.52 113.70 114.67 3kd4 s SER 48 Ca -0.10 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.24 3kd4 s SER 48 Cb -0.15 -0.93 -0.06 0.00 -1.71 0.00 0.00 66.02 63.17 3kd4 s SER 48 CO 0.01 -0.05 0.07 -0.94 1.20 0.00 0.00 173.24 173.53 3kd4 s SER 49 N 1.33 2.28 -0.17 5.45 1.04 0.05 -1.39 113.70 122.29 3kd4 s SER 49 Ca -0.01 -1.42 -0.09 0.00 0.48 0.00 0.00 55.95 54.90 3kd4 s SER 49 Cb -0.14 0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.09 3kd4 s SER 49 CO -0.05 -0.67 0.42 -1.61 0.98 0.00 0.00 173.24 172.30 3kd4 s GLU 51 N -3.89 0.39 -0.13 4.02 2.02 -0.01 -0.68 118.70 120.42 3kd4 s GLU 51 Ca 0.35 0.82 -0.03 0.00 0.02 0.00 0.00 54.97 56.13 3kd4 s GLU 51 Cb 0.08 0.01 0.05 0.00 0.10 0.00 0.00 34.13 34.37 3kd4 s GLU 51 CO 0.15 -0.17 0.03 -1.17 0.02 0.00 0.00 175.26 174.12 3kd4 s LEU 52 N 1.54 0.75 -0.13 1.80 2.96 -0.10 -1.74 118.68 123.76 3kd4 s LEU 52 Ca -0.09 -0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 53.22 3kd4 s LEU 52 Cb -0.09 -0.45 -0.05 0.00 0.50 0.00 0.00 46.19 46.11 3kd4 s LEU 52 CO -0.13 -0.27 0.36 -0.89 -1.32 0.00 0.00 176.35 174.10 3kd4 s THR 53 N 1.97 5.24 -0.17 3.68 2.01 0.41 0.26 115.64 129.04 3kd4 s THR 53 Ca 0.02 0.70 -0.02 0.00 0.31 0.00 0.00 61.69 62.69 3kd4 s THR 53 Cb -0.15 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 3kd4 s THR 53 CO -0.07 0.40 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.42 3kd4 s LEU 54 N 0.30 2.90 -0.01 4.42 1.43 -0.70 -1.13 118.68 125.89 3kd4 s LEU 54 Ca 0.20 -0.31 0.17 0.00 -1.03 0.00 0.00 54.13 53.17 3kd4 s LEU 54 Cb -0.14 -1.70 -0.23 0.00 0.03 0.00 0.00 46.19 44.16 3kd4 s LEU 54 CO 0.07 0.10 0.57 0.49 0.23 0.00 0.00 176.35 177.80 3kd4 n PHE 55 N 4.00 0.00 -4.19 0.29 3.72 0.30 -0.45 117.46 121.13 3kd4 n PHE 55 Ca -0.18 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.11 3kd4 n PHE 55 Cb 0.52 -0.19 -0.10 0.00 -0.94 0.00 0.00 39.48 38.77 3kd4 n PHE 55 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3kd4 s THR 56 N -2.90 0.76 0.45 4.37 -4.23 -1.24 -4.50 115.64 108.34 3kd4 s THR 56 Ca 0.00 -1.96 0.16 0.00 -1.18 0.00 0.00 61.69 58.71 3kd4 s THR 56 Cb 0.12 -1.75 0.19 0.00 1.34 0.00 0.00 72.50 72.41 3kd4 s THR 56 CO 0.72 -0.82 2.00 0.45 -0.54 0.00 0.00 174.62 176.43 3kd4 h HIS 57 N 2.91 0.00 -0.42 3.99 3.86 -1.95 -2.28 115.15 121.27 3kd4 h HIS 57 Ca -0.36 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 58.92 3kd4 h HIS 57 Cb 1.17 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.59 3kd4 h HIS 57 CO 0.59 0.18 0.09 1.15 0.86 0.00 0.00 177.93 180.80 3kd4 h THR 58 N 0.00 0.79 0.00 2.45 2.02 -1.97 -0.68 112.91 115.52 3kd4 h THR 58 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3kd4 h THR 58 Cb 0.33 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3kd4 h THR 58 CO 0.02 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.95 3kd4 n ALA 59 N -2.45 1.99 0.00 6.16 0.00 -0.86 -2.66 120.51 122.69 3kd4 n ALA 59 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kd4 n ALA 59 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3kd4 n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kd4 n ASN 61 N 0.68 0.00 -3.12 0.00 3.02 -0.26 -4.23 115.26 111.35 3kd4 n ASN 61 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 3kd4 n ASN 61 Cb 0.25 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.51 3kd4 n ASN 61 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kd4 n SER 62 N 0.00 0.22 0.00 6.41 3.41 -1.09 -4.92 113.62 117.66 3kd4 n SER 62 Ca 0.00 -1.35 0.03 0.00 -0.26 0.00 0.00 58.87 57.29 3kd4 n SER 62 Cb 0.00 -0.50 0.12 0.00 -0.26 0.00 0.00 64.21 63.57 3kd4 n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kd4 n THR 63 N -2.79 1.55 0.32 6.66 -2.24 -1.26 -1.34 114.28 115.18 3kd4 n THR 63 Ca 0.09 0.39 0.20 0.00 -2.27 0.00 0.00 64.05 62.46 3kd4 n THR 63 Cb 0.31 -1.29 1.09 0.00 -2.10 0.00 0.00 70.33 68.34 3kd4 n THR 63 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3kd4 h TYR 64 N 0.00 0.00 0.00 4.78 0.05 -1.92 -1.54 116.97 118.33 3kd4 h TYR 64 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3kd4 h TYR 64 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3kd4 h TYR 64 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 3kd4 n GLY 65 N -1.16 -0.91 3.25 3.88 0.00 -0.45 -4.75 105.19 105.05 3kd4 n GLY 65 Ca -0.02 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 3kd4 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kd4 s GLU 66 N -3.12 1.07 0.10 1.61 8.01 -0.58 -0.72 118.70 125.08 3kd4 s GLU 66 Ca 0.04 -1.44 0.10 0.00 0.01 0.00 0.00 54.97 53.68 3kd4 s GLU 66 Cb 0.07 -0.69 -0.04 0.00 -4.31 0.00 0.00 34.13 29.17 3kd4 s GLU 66 CO 0.22 0.09 -0.23 -1.12 0.01 0.00 0.00 175.26 174.23 3kd4 s SER 67 N -3.10 3.53 -0.12 -0.19 0.01 -0.23 -4.96 113.70 108.65 3kd4 s SER 67 Ca 0.16 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3kd4 s SER 67 Cb 0.01 -0.38 0.02 0.00 0.21 0.00 0.00 66.02 65.88 3kd4 s SER 67 CO 0.01 0.20 -0.10 -0.36 0.41 0.00 0.00 173.24 173.41 3kd4 s PHE 68 N -1.02 1.67 -0.19 2.43 0.08 -1.26 -0.92 117.98 118.77 3kd4 s PHE 68 Ca 0.15 -0.84 -0.00 0.00 0.12 0.00 0.00 56.93 56.35 3kd4 s PHE 68 Cb -0.10 -1.31 0.05 0.00 -0.57 0.00 0.00 43.02 41.08 3kd4 s PHE 68 CO 0.06 -0.52 -0.05 0.42 -0.10 0.00 0.00 175.22 175.03 3kd4 s ILE 69 N 1.49 1.22 -0.13 0.64 1.01 -1.26 -5.03 121.20 119.14 3kd4 s ILE 69 Ca 0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 3kd4 s ILE 69 Cb -0.13 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3kd4 s ILE 69 CO -0.07 0.06 0.14 -0.69 0.00 0.00 0.00 174.94 174.37 3kd4 s VAL 70 N 1.57 5.47 0.22 2.92 1.01 -1.26 -4.22 120.40 126.11 3kd4 s VAL 70 Ca -0.01 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 3kd4 s VAL 70 Cb -0.16 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 32.86 3kd4 s VAL 70 CO -0.07 0.59 0.62 -0.72 0.00 0.00 0.00 175.10 175.52 3kd4 s TYR 71 N -0.82 -0.28 -0.43 5.22 1.13 0.13 -5.00 117.35 117.30 3kd4 s TYR 71 Ca 0.14 -0.07 -0.06 0.00 -1.41 0.00 0.00 57.07 55.67 3kd4 s TYR 71 Cb -0.12 0.57 0.11 0.00 -1.10 0.00 0.00 41.96 41.41 3kd4 s TYR 71 CO 0.03 -1.02 0.26 1.21 -2.51 0.00 0.00 175.55 173.52 3kd4 s ASN 72 N -2.85 5.47 0.00 -0.18 3.84 -1.26 -1.46 114.94 118.50 3kd4 s ASN 72 Ca 0.07 -1.89 0.10 0.00 0.21 0.00 0.00 52.86 51.36 3kd4 s ASN 72 Cb -0.03 -1.92 0.44 0.00 -0.55 0.00 0.00 41.25 39.19 3kd4 s ASN 72 CO -0.02 -0.59 1.31 -0.81 -2.79 0.00 0.00 177.10 174.20 3kd4 n PRO 73 N 4.76 0.01 0.23 0.43 -0.04 -1.26 -0.06 135.00 139.08 3kd4 n PRO 73 Ca -0.06 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 63.78 3kd4 n PRO 73 Cb 0.41 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.90 3kd4 n PRO 73 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kd4 h ASP 74 N 0.00 0.00 0.00 3.54 3.32 -1.93 -3.32 116.42 118.02 3kd4 h ASP 74 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kd4 h ASP 74 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kd4 h ASP 74 CO 0.00 0.18 0.00 0.49 -1.72 0.00 0.00 179.24 178.19 3kd4 n PHE 75 N -4.24 0.00 -4.27 4.55 3.01 -0.65 -5.05 117.46 110.82 3kd4 n PHE 75 Ca -0.02 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.24 3kd4 n PHE 75 Cb 0.25 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.59 3kd4 n PHE 75 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3kd4 s GLN 76 N -0.28 0.90 -0.03 -1.08 -0.21 0.92 -1.34 119.66 118.55 3kd4 s GLN 76 Ca 0.00 -0.88 0.07 0.00 0.02 0.00 0.00 55.36 54.58 3kd4 s GLN 76 Cb 0.00 -0.93 -0.02 0.00 1.00 0.00 0.00 33.01 33.06 3kd4 s GLN 76 CO 0.00 0.22 -0.25 0.99 -2.12 0.00 0.00 175.29 174.13 3kd4 s THR 77 N -1.06 2.00 -0.25 -0.19 2.01 -0.25 -4.06 115.64 113.83 3kd4 s THR 77 Ca 0.00 -1.07 -0.11 0.00 0.31 0.00 0.00 61.69 60.82 3kd4 s THR 77 Cb -0.09 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 3kd4 s THR 77 CO 0.02 0.56 0.18 -0.22 -0.69 0.00 0.00 174.62 174.47 3kd4 s LEU 78 N -0.52 4.09 -0.18 4.42 2.96 -1.26 -1.00 118.68 127.19 3kd4 s LEU 78 Ca 0.07 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 3kd4 s LEU 78 Cb -0.10 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.47 3kd4 s LEU 78 CO -0.00 0.03 -0.15 -0.75 -1.32 0.00 0.00 176.35 174.16 3kd4 s LYS 79 N 1.26 3.16 -0.30 1.98 2.36 0.06 -5.00 119.74 123.27 3kd4 s LYS 79 Ca 0.08 -0.75 -0.18 0.00 -2.55 0.00 0.00 55.97 52.56 3kd4 s LYS 79 Cb -0.14 -2.69 -0.02 0.00 -1.05 0.00 0.00 37.83 33.93 3kd4 s LYS 79 CO 0.06 -0.12 0.51 0.42 1.55 0.00 0.00 175.35 177.78 3kd4 s ILE 80 N 1.15 5.04 -0.03 5.43 -1.09 -1.26 -0.63 121.20 129.82 3kd4 s ILE 80 Ca 0.01 0.63 -0.19 0.00 -2.23 0.00 0.00 60.65 58.87 3kd4 s ILE 80 Cb -0.14 -3.89 -0.33 0.00 -1.58 0.00 0.00 42.46 36.52 3kd4 s ILE 80 CO -0.06 -0.05 0.90 0.45 -1.23 0.00 0.00 174.94 174.95 3kd4 h HIS 81 N 8.23 0.69 -1.93 3.97 3.86 -0.82 -3.48 115.15 125.67 3kd4 h HIS 81 Ca -0.29 -0.50 -0.03 0.00 -1.16 0.00 0.00 60.37 58.40 3kd4 h HIS 81 Cb 1.13 -0.03 -0.21 0.00 1.06 0.00 0.00 27.41 29.37 3kd4 h HIS 81 CO 0.74 1.42 0.22 -1.54 0.86 0.00 0.00 177.93 179.63 3kd4 s SER 82 N -7.18 -0.65 -0.19 2.45 1.04 -0.93 -5.01 113.70 103.22 3kd4 s SER 82 Ca -0.13 1.01 -0.05 0.00 0.48 0.00 0.00 55.95 57.26 3kd4 s SER 82 Cb 0.02 0.94 0.10 0.00 0.10 0.00 0.00 66.02 67.17 3kd4 s SER 82 CO 0.86 -0.40 0.35 -0.55 0.98 0.00 0.00 173.24 174.49 3kd4 s SER 83 N -0.40 0.15 0.23 7.02 0.15 -1.26 -1.40 113.70 118.19 3kd4 s SER 83 Ca -0.04 0.59 -0.22 0.00 0.70 0.00 0.00 55.95 56.98 3kd4 s SER 83 Cb -0.03 1.06 0.04 0.00 -1.71 0.00 0.00 66.02 65.38 3kd4 s SER 83 CO 0.04 -0.26 0.69 -0.72 1.20 0.00 0.00 173.24 174.19 3kd4 s TYR 84 N 2.53 -0.30 -0.11 3.44 1.13 -0.58 -1.49 117.35 121.96 3kd4 s TYR 84 Ca 0.04 -0.07 0.02 0.00 -1.41 0.00 0.00 57.07 55.64 3kd4 s TYR 84 Cb -0.13 0.66 -0.01 0.00 -1.10 0.00 0.00 41.96 41.37 3kd4 s TYR 84 CO -0.13 -1.09 -0.17 0.99 -2.51 0.00 0.00 175.55 172.64 3kd4 s THR 85 N -3.83 2.72 -0.33 -3.49 2.01 0.09 -0.50 115.64 112.31 3kd4 s THR 85 Ca 0.08 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 3kd4 s THR 85 Cb -0.04 -2.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.36 3kd4 s THR 85 CO 0.00 0.54 0.19 -0.60 -0.69 0.00 0.00 174.62 174.06 3kd4 s ARG 86 N 0.26 3.30 0.68 4.92 3.52 0.26 -0.22 118.95 131.67 3kd4 s ARG 86 Ca -0.12 -0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 54.62 3kd4 s ARG 86 Cb -0.16 -3.67 -0.00 0.00 -1.56 0.00 0.00 34.95 29.56 3kd4 s ARG 86 CO 0.06 -0.47 1.06 -0.65 -0.81 0.00 0.00 175.30 174.49 3kd4 s GLN 87 N 1.64 3.11 0.34 5.12 -0.21 0.82 -0.52 119.66 129.95 3kd4 s GLN 87 Ca 0.05 0.71 0.09 0.00 0.02 0.00 0.00 55.36 56.22 3kd4 s GLN 87 Cb -0.17 -2.03 0.81 0.00 1.00 0.00 0.00 33.01 32.61 3kd4 s GLN 87 CO 0.08 -0.91 1.82 0.87 -2.12 0.00 0.00 175.29 175.02 3kd4 h LYS 88 N -0.57 0.68 -0.07 2.91 1.57 -1.85 -0.51 116.57 118.73 3kd4 h LYS 88 Ca -0.44 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3kd4 h LYS 88 Cb 1.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3kd4 h LYS 88 CO 0.61 0.45 0.00 -0.40 -0.57 0.00 0.00 179.45 179.54 3kd4 n ASP 89 N -4.65 0.64 0.00 0.86 5.68 -1.26 -4.87 116.55 112.95 3kd4 n ASP 89 Ca 0.21 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 3kd4 n ASP 89 Cb 0.56 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3kd4 n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kd4 n GLY 90 N 0.89 0.11 3.74 6.12 0.00 -0.20 -5.04 105.19 110.80 3kd4 n GLY 90 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kd4 n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kd4 s THR 91 N -2.00 2.07 -0.19 2.61 2.01 -1.26 -4.72 115.64 114.16 3kd4 s THR 91 Ca 0.00 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 3kd4 s THR 91 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 3kd4 s THR 91 CO 0.00 0.01 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.28 3kd4 s ILE 92 N 0.33 3.76 -0.36 1.82 -1.09 -1.26 -0.13 121.20 124.27 3kd4 s ILE 92 Ca 0.66 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.69 3kd4 s ILE 92 Cb -0.48 -2.68 0.09 0.00 -1.58 0.00 0.00 42.46 37.81 3kd4 s ILE 92 CO 0.43 0.45 0.10 -0.69 -1.23 0.00 0.00 174.94 174.00 3kd4 s VAL 93 N 0.88 2.90 0.19 2.92 1.01 0.70 -4.97 120.40 124.03 3kd4 s VAL 93 Ca -0.00 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.73 3kd4 s VAL 93 Cb -0.14 -2.93 -0.08 0.00 0.00 0.00 0.00 36.38 33.22 3kd4 s VAL 93 CO 0.02 -0.49 1.18 -0.75 0.00 0.00 0.00 175.10 175.05 3kd4 s LYS 94 N 1.10 4.51 0.08 2.72 2.20 -1.26 -0.73 119.74 128.37 3kd4 s LYS 94 Ca 0.05 1.85 -0.31 0.00 -0.36 0.00 0.00 55.97 57.20 3kd4 s LYS 94 Cb -0.21 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 32.79 3kd4 s LYS 94 CO -0.04 -0.05 1.62 0.99 -0.36 0.00 0.00 175.35 177.51 3kd4 s THR 95 N -0.17 3.03 0.61 3.43 2.01 -0.56 -4.94 115.64 119.04 3kd4 s THR 95 Ca 0.52 0.52 -0.09 0.00 0.31 0.00 0.00 61.69 62.95 3kd4 s THR 95 Cb -0.32 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 3kd4 s THR 95 CO 0.37 0.00 0.98 -2.16 -0.69 0.00 0.00 174.62 173.12 3kd4 s PRO 96 N 2.40 3.37 0.41 4.92 0.04 -1.26 -4.97 135.00 139.90 3kd4 s PRO 96 Ca 0.73 0.50 0.09 0.00 0.04 0.00 0.00 61.00 62.35 3kd4 s PRO 96 Cb -0.40 -2.15 0.88 0.00 0.04 0.00 0.00 34.50 32.87 3kd4 s PRO 96 CO 0.32 -0.60 2.02 -0.44 0.04 0.00 0.00 177.00 178.33 3kd4 h ASP 97 N -0.26 0.49 0.09 6.66 3.32 -1.96 -1.46 116.42 123.30 3kd4 h ASP 97 Ca -0.45 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3kd4 h ASP 97 Cb 1.21 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3kd4 h ASP 97 CO 0.62 0.33 0.00 -0.46 -1.72 0.00 0.00 179.24 178.01 3kd4 n ASN 98 N -4.47 0.00 -0.82 6.45 0.23 -1.26 -2.49 115.26 112.89 3kd4 n ASN 98 Ca 0.07 -0.67 0.12 0.00 -0.53 0.00 0.00 54.58 53.56 3kd4 n ASN 98 Cb 0.18 -0.05 0.29 0.00 -2.08 0.00 0.00 39.78 38.11 3kd4 n ASN 98 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kd4 n ALA 99 N -1.05 2.48 -3.13 -2.53 0.00 -0.55 -4.78 120.51 110.95 3kd4 n ALA 99 Ca 0.18 -0.71 -0.37 0.00 0.00 0.00 0.00 53.44 52.55 3kd4 n ALA 99 Cb 0.11 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 3kd4 n ALA 99 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3kd4 s PHE 100 N -1.75 3.10 -0.09 0.00 0.40 -1.04 -0.59 117.98 118.02 3kd4 s PHE 100 Ca 0.35 -0.66 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 3kd4 s PHE 100 Cb 0.20 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 41.52 3kd4 s PHE 100 CO 0.30 -0.46 -0.04 0.08 0.70 0.00 0.00 175.22 175.80 3kd4 s VAL 101 N 1.57 0.69 -0.12 -0.44 1.01 -0.29 -4.97 120.40 117.85 3kd4 s VAL 101 Ca 0.05 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 3kd4 s VAL 101 Cb -0.16 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3kd4 s VAL 101 CO 0.03 0.31 0.41 -1.61 0.00 0.00 0.00 175.10 174.23 3kd4 s GLU 102 N 1.71 4.26 0.20 2.72 2.02 -1.26 -0.10 118.70 128.26 3kd4 s GLU 102 Ca 0.03 0.33 0.02 0.00 0.02 0.00 0.00 54.97 55.36 3kd4 s GLU 102 Cb -0.13 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 3kd4 s GLU 102 CO -0.06 0.25 0.03 0.14 0.02 0.00 0.00 175.26 175.65 3kd4 s VAL 103 N 0.37 0.65 0.03 2.63 -7.23 0.69 -4.95 120.40 112.59 3kd4 s VAL 103 Ca 0.23 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 3kd4 s VAL 103 Cb -0.15 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 3kd4 s VAL 103 CO 0.08 -0.31 1.05 -0.22 -0.31 0.00 0.00 175.10 175.39 3kd4 s LEU 104 N -3.22 4.38 0.38 1.32 2.96 -1.26 0.49 118.68 123.73 3kd4 s LEU 104 Ca 0.29 1.80 -0.28 0.00 -0.22 0.00 0.00 54.13 55.72 3kd4 s LEU 104 Cb 0.07 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.07 3kd4 s LEU 104 CO 0.07 -0.31 1.49 -2.84 -1.32 0.00 0.00 176.35 173.44 3kd4 s PRO 105 N 0.89 4.07 0.28 0.98 0.02 -1.26 -4.83 135.00 135.16 3kd4 s PRO 105 Ca 0.54 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.12 3kd4 s PRO 105 Cb -0.24 -2.94 0.50 0.00 0.02 0.00 0.00 34.50 31.84 3kd4 s PRO 105 CO 0.29 -0.56 1.88 0.07 -0.33 0.00 0.00 177.00 178.34 3kd4 h ARG 106 N 2.94 1.03 0.00 5.54 -0.00 -2.00 -0.97 114.38 120.92 3kd4 h ARG 106 Ca -0.51 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 59.41 3kd4 h ARG 106 Cb 1.24 -0.23 0.00 0.00 -0.00 0.00 0.00 29.97 30.98 3kd4 h ARG 106 CO 0.64 0.68 0.06 0.27 -0.00 0.00 0.00 179.97 181.62 3kd4 h PHE 107 N 1.06 0.00 -0.47 4.08 -5.15 -1.90 -1.56 116.94 113.01 3kd4 h PHE 107 Ca 0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.21 3kd4 h PHE 107 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.47 3kd4 h PHE 107 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 3kd4 n ALA 108 N -1.92 2.41 -1.78 12.09 0.00 -0.37 -4.02 120.51 126.92 3kd4 n ALA 108 Ca -0.02 -1.07 -0.41 0.00 0.00 0.00 0.00 53.44 51.94 3kd4 n ALA 108 Cb 0.11 -0.88 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 3kd4 n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kd4 s ALA 109 N -1.37 3.59 -1.61 0.00 0.00 -0.59 -2.74 121.76 119.04 3kd4 s ALA 109 Ca 0.41 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.93 3kd4 s ALA 109 Cb 0.23 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3kd4 s ALA 109 CO 0.32 -1.03 0.00 -0.25 0.00 0.00 0.00 175.76 174.80 3kd4 n ASP 110 N 0.65 -5.26 -3.49 0.00 8.00 -1.26 -4.94 116.55 110.26 3kd4 n ASP 110 Ca 0.02 0.05 -0.27 0.00 0.71 0.00 0.00 54.79 55.30 3kd4 n ASP 110 Cb 0.39 -4.33 -0.10 0.00 -0.02 0.00 0.00 41.12 37.06 3kd4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kd4 n ALA 111 N -1.39 3.04 -0.31 2.24 0.00 -1.11 -5.01 120.51 117.97 3kd4 n ALA 111 Ca -0.21 -3.66 0.09 0.00 0.00 0.00 0.00 53.44 49.65 3kd4 n ALA 111 Cb 0.65 -0.85 0.30 0.00 0.00 0.00 0.00 19.45 19.56 3kd4 n ALA 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kd4 h PRO 112 N 5.17 0.84 0.00 0.00 0.11 -1.92 0.28 132.00 136.48 3kd4 h PRO 112 Ca 0.20 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3kd4 h PRO 112 Cb 0.84 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3kd4 h PRO 112 CO 0.52 0.56 0.00 0.00 -0.21 0.00 0.00 178.00 178.86 3kd4 h ALA 113 N 1.57 1.00 -0.11 -0.75 0.00 -1.96 -2.41 119.26 116.60 3kd4 h ALA 113 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3kd4 h ALA 113 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kd4 h ALA 113 CO -0.23 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.68 3kd4 n TYR 114 N -2.40 0.33 1.72 0.00 4.01 0.97 -4.72 117.16 117.08 3kd4 n TYR 114 Ca -0.02 -0.87 0.14 0.00 -0.16 0.00 0.00 57.90 56.99 3kd4 n TYR 114 Cb 0.04 -0.18 0.81 0.00 -0.31 0.00 0.00 39.34 39.70 3kd4 n TYR 114 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3kd4 n ASN 115 N -0.91 0.00 0.03 7.72 0.23 -0.91 -2.38 115.26 119.05 3kd4 n ASN 115 Ca 0.16 -0.87 0.13 0.00 -0.53 0.00 0.00 54.58 53.47 3kd4 n ASN 115 Cb 0.66 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.70 3kd4 n ASN 115 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kd4 n GLN 116 N -1.00 0.12 -2.01 -3.83 0.00 -1.26 -4.94 117.38 104.47 3kd4 n GLN 116 Ca 0.20 0.05 -0.39 0.00 0.00 0.00 0.00 57.00 56.87 3kd4 n GLN 116 Cb 0.09 -1.59 0.01 0.00 0.00 0.00 0.00 30.24 28.75 3kd4 n GLN 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3kd4 s LEU 117 N -3.56 4.07 0.01 2.61 1.43 -1.00 -4.40 118.68 117.84 3kd4 s LEU 117 Ca 0.10 2.63 0.07 0.00 -1.03 0.00 0.00 54.13 55.90 3kd4 s LEU 117 Cb 0.16 -4.07 -0.02 0.00 0.03 0.00 0.00 46.19 42.29 3kd4 s LEU 117 CO 0.65 -1.07 -0.21 -0.54 0.23 0.00 0.00 176.35 175.41 3kd4 s LYS 118 N -2.52 1.58 0.00 1.70 -0.14 -0.54 -4.36 119.74 115.46 3kd4 s LYS 118 Ca 0.62 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 54.38 3kd4 s LYS 118 Cb -0.37 -1.60 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 3kd4 s LYS 118 CO 0.46 0.43 0.00 -1.91 -0.76 0.00 0.00 175.35 173.57 3kd4 n GLU 119 N 2.23 1.66 -3.42 1.68 2.13 0.18 -0.69 120.64 124.40 3kd4 n GLU 119 Ca -0.16 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.67 3kd4 n GLU 119 Cb 0.53 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.20 3kd4 n GLU 119 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kd4 s VAL 121 N -1.04 -0.42 -0.32 6.31 1.01 0.86 -0.22 120.40 126.59 3kd4 s VAL 121 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 3kd4 s VAL 121 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 3kd4 s VAL 121 CO 0.00 0.00 0.16 -0.69 0.00 0.00 0.00 175.10 174.57 3kd4 s VAL 122 N 2.29 4.58 -0.33 2.92 1.01 -0.10 -1.13 120.40 129.65 3kd4 s VAL 122 Ca -0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 3kd4 s VAL 122 Cb -0.05 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3kd4 s VAL 122 CO -0.17 0.04 0.77 -0.69 0.00 0.00 0.00 175.10 175.05 3kd4 s VAL 123 N 1.60 4.79 -0.18 2.92 1.01 0.25 -1.06 120.40 129.73 3kd4 s VAL 123 Ca 0.04 1.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 3kd4 s VAL 123 Cb -0.17 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 3kd4 s VAL 123 CO 0.06 -0.30 1.12 -1.00 0.00 0.00 0.00 175.10 174.98 3kd4 s HIS 124 N 2.97 3.19 0.38 5.22 3.76 0.11 -4.86 115.29 126.06 3kd4 s HIS 124 Ca 0.31 1.32 0.08 0.00 -0.15 0.00 0.00 55.06 56.61 3kd4 s HIS 124 Cb -0.14 -3.35 -0.02 0.00 1.11 0.00 0.00 32.58 30.19 3kd4 s HIS 124 CO 0.14 -0.91 0.39 0.95 -0.85 0.00 0.00 174.74 174.46 3kd4 s THR 125 N 3.06 3.11 -0.34 1.30 -4.23 -1.26 -4.56 115.64 112.72 3kd4 s THR 125 Ca 0.49 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3kd4 s THR 125 Cb -0.18 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.56 3kd4 s THR 125 CO 0.12 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3kd4 n GLY 126 N -1.54 0.59 3.77 3.99 0.00 -1.26 -4.46 105.19 106.27 3kd4 n GLY 126 Ca 0.02 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 3kd4 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kd4 s LEU 127 N -0.74 4.38 0.17 0.99 1.43 -1.26 -4.83 118.68 118.83 3kd4 s LEU 127 Ca 0.00 2.56 -0.15 0.00 -1.03 0.00 0.00 54.13 55.51 3kd4 s LEU 127 Cb 0.00 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.50 3kd4 s LEU 127 CO 0.00 -0.53 0.43 -1.61 0.23 0.00 0.00 176.35 174.86 3kd4 s GLU 128 N -1.87 1.25 0.04 1.70 2.02 -1.26 -5.05 118.70 115.52 3kd4 s GLU 128 Ca 0.50 -0.92 -0.35 0.00 0.02 0.00 0.00 54.97 54.22 3kd4 s GLU 128 Cb -0.37 0.47 -0.14 0.00 0.10 0.00 0.00 34.13 34.19 3kd4 s GLU 128 CO 0.48 -0.50 1.64 1.28 0.02 0.00 0.00 175.26 178.18 3kd4 n LEU 129 N -0.28 2.90 0.00 1.80 4.77 -1.26 -0.95 117.00 123.98 3kd4 n LEU 129 Ca -0.11 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 3kd4 n LEU 129 Cb 0.63 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 3kd4 n LEU 129 CO 0.19 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 3kd4 n GLY 130 N 3.61 0.78 3.78 -0.72 0.00 0.40 -4.72 105.19 108.32 3kd4 n GLY 130 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3kd4 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kd4 s ALA 131 N -3.04 2.55 -0.14 4.61 0.00 -0.13 -4.31 121.76 121.30 3kd4 s ALA 131 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.55 3kd4 s ALA 131 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 3kd4 s ALA 131 CO 0.00 -1.11 -0.21 0.99 0.00 0.00 0.00 175.76 175.42 3kd4 s THR 132 N -2.26 2.12 -0.00 0.00 2.01 0.32 -1.73 115.64 116.11 3kd4 s THR 132 Ca 0.67 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 61.45 3kd4 s THR 132 Cb -0.20 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 3kd4 s THR 132 CO 0.38 0.55 0.81 -0.63 -0.69 0.00 0.00 174.62 175.04 3kd4 s ILE 133 N 0.82 4.86 -0.18 1.82 1.01 0.14 -0.58 121.20 129.09 3kd4 s ILE 133 Ca -0.07 1.71 -0.01 0.00 0.00 0.00 0.00 60.65 62.28 3kd4 s ILE 133 Cb -0.15 -4.16 -0.00 0.00 0.01 0.00 0.00 42.46 38.15 3kd4 s ILE 133 CO -0.02 0.27 -0.12 -0.31 0.00 0.00 0.00 174.94 174.76 3kd4 s TYR 134 N 0.52 2.85 -0.03 3.97 1.51 0.35 -0.92 117.35 125.60 3kd4 s TYR 134 Ca 0.42 -1.05 -0.01 0.00 -1.01 0.00 0.00 57.07 55.43 3kd4 s TYR 134 Cb -0.20 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 3kd4 s TYR 134 CO 0.23 -0.52 0.06 -1.17 -1.11 0.00 0.00 175.55 173.04 3kd4 s LEU 135 N 1.06 1.04 -0.13 -1.29 2.96 -1.26 -1.52 118.68 119.54 3kd4 s LEU 135 Ca -0.00 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3kd4 s LEU 135 Cb -0.15 0.05 0.06 0.00 0.50 0.00 0.00 46.19 46.66 3kd4 s LEU 135 CO -0.03 -0.13 0.16 -0.62 -1.32 0.00 0.00 176.35 174.42 3kd4 s ASP 136 N 1.02 1.18 0.08 3.68 -1.08 -0.49 -4.16 116.67 116.90 3kd4 s ASP 136 Ca -0.08 0.03 -0.03 0.00 -0.52 0.00 0.00 52.55 51.94 3kd4 s ASP 136 Cb -0.12 0.22 -0.03 0.00 -1.46 0.00 0.00 42.92 41.53 3kd4 s ASP 136 CO -0.03 -0.28 0.05 -0.72 0.52 0.00 0.00 175.17 174.70 3kd4 s TYR 137 N 2.28 0.50 0.06 -5.34 1.13 -0.49 -0.05 117.35 115.44 3kd4 s TYR 137 Ca 0.04 -0.98 0.06 0.00 -1.41 0.00 0.00 57.07 54.78 3kd4 s TYR 137 Cb -0.14 -0.32 -0.03 0.00 -1.10 0.00 0.00 41.96 40.38 3kd4 s TYR 137 CO -0.08 -0.46 -0.18 -1.12 -2.51 0.00 0.00 175.55 171.20 3kd4 s SER 138 N -2.93 2.16 -0.20 -0.18 0.01 0.20 -0.74 113.70 112.01 3kd4 s SER 138 Ca 0.10 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 3kd4 s SER 138 Cb 0.07 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 3kd4 s SER 138 CO -0.08 0.08 -0.07 -0.63 0.41 0.00 0.00 173.24 172.95 3kd4 s ILE 139 N -0.92 3.20 -0.18 1.44 1.01 0.36 -0.76 121.20 125.34 3kd4 s ILE 139 Ca 0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 3kd4 s ILE 139 Cb -0.09 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 3kd4 s ILE 139 CO 0.02 0.45 -0.05 -0.63 0.00 0.00 0.00 174.94 174.74 3kd4 s ILE 140 N 1.28 3.58 -0.17 2.92 1.01 -0.17 -0.98 121.20 128.67 3kd4 s ILE 140 Ca 0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 3kd4 s ILE 140 Cb -0.14 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 3kd4 s ILE 140 CO -0.03 0.46 -0.09 -0.89 0.00 0.00 0.00 174.94 174.39 3kd4 s THR 141 N 0.90 3.24 0.82 2.92 2.01 0.08 -1.09 115.64 124.52 3kd4 s THR 141 Ca -0.01 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 3kd4 s THR 141 Cb -0.15 -2.41 0.09 0.00 0.01 0.00 0.00 72.50 70.03 3kd4 s THR 141 CO 0.01 0.48 1.09 -1.59 -0.69 0.00 0.00 174.62 173.92 3kd4 s LYS 142 N 0.83 1.86 0.69 4.92 -2.85 -0.45 -0.97 119.74 123.78 3kd4 s LYS 142 Ca -0.03 0.85 -0.16 0.00 -1.00 0.00 0.00 55.97 55.63 3kd4 s LYS 142 Cb -0.15 -1.88 0.02 0.00 -2.06 0.00 0.00 37.83 33.76 3kd4 s LYS 142 CO 0.01 -1.83 1.24 -2.14 0.10 0.00 0.00 175.35 172.73 3kd4 s PRO 143 N -5.00 2.33 0.00 1.78 0.02 -1.26 -3.68 135.00 129.18 3kd4 s PRO 143 Ca 0.62 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3kd4 s PRO 143 Cb -0.16 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3kd4 s PRO 143 CO 0.56 -1.73 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 3kd4 n GLY 144 N 0.63 0.68 0.37 0.52 0.00 -1.26 -4.91 105.19 101.22 3kd4 n GLY 144 Ca 0.14 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 3kd4 n GLY 144 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kd4 n TYR 145 N -2.64 0.00 -3.88 1.61 9.36 -1.24 -4.96 117.16 115.40 3kd4 n TYR 145 Ca 0.00 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.87 3kd4 n TYR 145 Cb 0.00 -0.72 -0.11 0.00 -0.63 0.00 0.00 39.34 37.89 3kd4 n TYR 145 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3kd4 s TYR 146 N -2.38 3.21 0.39 2.98 2.02 -1.26 -4.60 117.35 117.69 3kd4 s TYR 146 Ca -0.28 -0.04 0.27 0.00 -0.37 0.00 0.00 57.07 56.65 3kd4 s TYR 146 Cb 0.11 -2.16 1.41 0.00 -0.40 0.00 0.00 41.96 40.92 3kd4 s TYR 146 CO 0.36 -0.01 2.05 -1.35 -1.57 0.00 0.00 175.55 175.03 3kd4 h PRO 147 N 7.31 0.00 -3.10 -1.71 0.11 -1.93 -3.46 132.00 129.21 3kd4 h PRO 147 Ca -0.37 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.78 3kd4 h PRO 147 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 3kd4 h PRO 147 CO 0.65 0.12 0.17 0.00 -0.21 0.00 0.00 178.00 178.74 3kd4 s ALA 148 N -4.13 -1.10 -0.10 -0.75 0.00 -1.26 -4.98 121.76 109.44 3kd4 s ALA 148 Ca -0.02 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 3kd4 s ALA 148 Cb 0.13 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 3kd4 s ALA 148 CO 0.59 -0.99 1.02 -1.17 0.00 0.00 0.00 175.76 175.20 3kd4 s LEU 149 N -2.92 4.25 -0.25 0.00 2.96 -1.26 -4.95 118.68 116.51 3kd4 s LEU 149 Ca 0.12 1.55 -0.02 0.00 -0.22 0.00 0.00 54.13 55.56 3kd4 s LEU 149 Cb -0.05 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.22 3kd4 s LEU 149 CO 0.06 -0.45 0.34 -0.62 -1.32 0.00 0.00 176.35 174.36 3kd4 s ASP 150 N 1.11 0.68 -0.04 3.68 -1.08 -1.26 -1.32 116.67 118.44 3kd4 s ASP 150 Ca 0.49 -0.09 0.05 0.00 -0.52 0.00 0.00 52.55 52.48 3kd4 s ASP 150 Cb -0.19 0.89 -0.01 0.00 -1.46 0.00 0.00 42.92 42.16 3kd4 s ASP 150 CO 0.18 -0.33 -0.20 -0.63 0.52 0.00 0.00 175.17 174.72 3kd4 s ILE 151 N 2.48 1.66 -0.37 4.11 1.01 0.08 -4.76 121.20 125.42 3kd4 s ILE 151 Ca 0.11 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3kd4 s ILE 151 Cb -0.15 -1.42 0.15 0.00 0.01 0.00 0.00 42.46 41.06 3kd4 s ILE 151 CO -0.20 0.47 0.36 0.21 0.00 0.00 0.00 174.94 175.79 3kd4 s ASN 152 N -0.09 1.34 -0.17 3.58 2.47 -1.23 -1.39 114.94 119.45 3kd4 s ASN 152 Ca -0.02 -1.65 0.01 0.00 0.42 0.00 0.00 52.86 51.62 3kd4 s ASN 152 Cb -0.12 0.47 0.01 0.00 -1.45 0.00 0.00 41.25 40.16 3kd4 s ASN 152 CO 0.02 -0.26 -0.18 -0.70 -3.72 0.00 0.00 177.10 172.26 3kd4 s GLU 153 N 1.39 3.09 0.09 0.43 2.56 0.31 -4.94 118.70 121.63 3kd4 s GLU 153 Ca 0.17 -0.80 -0.31 0.00 0.00 0.00 0.00 54.97 54.04 3kd4 s GLU 153 Cb -0.16 -2.59 -0.06 0.00 2.00 0.00 0.00 34.13 33.31 3kd4 s GLU 153 CO -0.03 -0.10 1.24 0.50 -0.56 0.00 0.00 175.26 176.32 3kd4 s ARG 154 N 1.05 4.41 -0.02 4.30 3.52 -1.26 -1.04 118.95 129.92 3kd4 s ARG 154 Ca -0.01 1.85 0.15 0.00 -0.13 0.00 0.00 55.73 57.60 3kd4 s ARG 154 Cb -0.14 -3.31 -0.22 0.00 -1.56 0.00 0.00 34.95 29.71 3kd4 s ARG 154 CO -0.06 -0.27 0.39 1.28 -0.81 0.00 0.00 175.30 175.83 3kd4 n LEU 155 N 3.74 0.13 -4.77 -0.88 4.77 0.09 -4.95 117.00 115.13 3kd4 n LEU 155 Ca 0.09 -0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 3kd4 n LEU 155 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3kd4 n LEU 155 CO 0.56 0.03 0.55 -1.58 -1.33 0.00 0.00 177.39 175.63 3kd4 s GLN 156 N -2.94 4.67 0.53 3.23 0.74 -1.23 -4.97 119.66 119.69 3kd4 s GLN 156 Ca -0.03 1.28 0.02 0.00 0.05 0.00 0.00 55.36 56.68 3kd4 s GLN 156 Cb 0.10 -3.24 0.01 0.00 1.10 0.00 0.00 33.01 30.98 3kd4 s GLN 156 CO 0.63 0.54 0.12 -1.21 -0.55 0.00 0.00 175.29 174.83 3kd4 s GLU 157 N -1.21 2.23 0.13 1.67 0.41 -1.26 -4.94 118.70 115.72 3kd4 s GLU 157 Ca 0.38 -2.32 0.24 0.00 -0.41 0.00 0.00 54.97 52.86 3kd4 s GLU 157 Cb -0.24 -1.69 0.92 0.00 -1.78 0.00 0.00 34.13 31.34 3kd4 s GLU 157 CO 0.28 -0.47 1.73 0.25 -0.49 0.00 0.00 175.26 176.56 3kd4 n THR 158 N -1.44 0.60 -4.38 3.63 -2.24 -1.26 -0.87 114.28 108.32 3kd4 n THR 158 Ca -0.15 0.03 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 3kd4 n THR 158 Cb 0.66 -0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 67.99 3kd4 n THR 158 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3kd4 s SER 159 N -3.77 3.97 0.67 3.42 0.01 -1.26 -3.45 113.70 113.29 3kd4 s SER 159 Ca 0.09 -0.82 -0.17 0.00 1.31 0.00 0.00 55.95 56.36 3kd4 s SER 159 Cb 0.12 -0.53 0.01 0.00 0.21 0.00 0.00 66.02 65.83 3kd4 s SER 159 CO 0.46 0.05 1.24 -2.16 0.41 0.00 0.00 173.24 173.24 3kd4 s PRO 160 N -3.35 2.46 -0.21 12.44 0.04 -1.26 -4.26 135.00 140.85 3kd4 s PRO 160 Ca 0.29 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3kd4 s PRO 160 Cb -0.06 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.65 3kd4 s PRO 160 CO 0.16 -1.63 -0.14 0.08 0.04 0.00 0.00 177.00 175.51 3kd4 s VAL 161 N -1.67 2.36 0.07 -0.36 1.01 -0.47 -1.11 120.40 120.22 3kd4 s VAL 161 Ca 0.78 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 3kd4 s VAL 161 Cb -0.33 -2.12 -0.16 0.00 0.00 0.00 0.00 36.38 33.77 3kd4 s VAL 161 CO 0.41 0.35 1.28 0.50 0.00 0.00 0.00 175.10 177.63 3kd4 h LYS 162 N 7.94 0.64 -3.26 2.72 3.64 -0.80 0.49 116.57 127.93 3kd4 h LYS 162 Ca -0.38 -0.49 -0.28 0.00 -1.27 0.00 0.00 60.65 58.23 3kd4 h LYS 162 Cb 1.12 0.09 -0.34 0.00 -0.41 0.00 0.00 32.23 32.69 3kd4 h LYS 162 CO 0.59 1.11 -0.65 -2.00 -2.27 0.00 0.00 179.45 176.23 3kd4 s GLU 163 N -3.79 0.03 -0.17 1.90 2.12 -1.02 -0.73 118.70 117.05 3kd4 s GLU 163 Ca -0.12 0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.62 3kd4 s GLU 163 Cb 0.07 -0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.23 3kd4 s GLU 163 CO 0.85 -0.23 -0.15 0.00 -0.54 0.00 0.00 175.26 175.20 3kd4 s LYS 165 N 1.40 3.60 -0.01 0.00 1.02 0.17 -0.04 119.74 125.88 3kd4 s LYS 165 Ca 0.03 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 55.50 3kd4 s LYS 165 Cb -0.14 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 3kd4 s LYS 165 CO -0.10 0.17 -0.11 0.14 -0.92 0.00 0.00 175.35 174.52 3kd4 s VAL 166 N 0.55 0.86 -0.01 3.17 -7.23 -0.58 -0.60 120.40 116.56 3kd4 s VAL 166 Ca -0.03 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 3kd4 s VAL 166 Cb -0.14 -0.72 0.01 0.00 0.56 0.00 0.00 36.38 36.09 3kd4 s VAL 166 CO 0.03 0.24 0.01 -0.55 -0.31 0.00 0.00 175.10 174.52 3kd4 s SER 167 N -0.24 0.03 -0.09 4.85 0.15 -0.48 -0.83 113.70 117.09 3kd4 s SER 167 Ca 0.04 0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.73 3kd4 s SER 167 Cb -0.04 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.25 3kd4 s SER 167 CO -0.00 -0.04 -0.18 -0.63 1.20 0.00 0.00 173.24 173.58 3kd4 s ILE 168 N 0.37 1.60 -0.09 6.45 1.01 0.13 -0.85 121.20 129.83 3kd4 s ILE 168 Ca -0.03 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.91 3kd4 s ILE 168 Cb -0.05 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 41.01 3kd4 s ILE 168 CO -0.01 0.46 -0.17 -0.44 0.00 0.00 0.00 174.94 174.78 3kd4 s SER 169 N 0.64 2.38 0.08 3.58 0.01 -0.24 -0.71 113.70 119.45 3kd4 s SER 169 Ca -0.14 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.71 3kd4 s SER 169 Cb -0.16 -1.09 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 3kd4 s SER 169 CO 0.04 0.08 -0.04 0.68 0.41 0.00 0.00 173.24 174.41 3kd4 s VAL 170 N 0.59 0.44 0.37 3.43 -7.23 -0.08 -0.82 120.40 117.09 3kd4 s VAL 170 Ca -0.15 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 57.86 3kd4 s VAL 170 Cb -0.17 -1.65 -0.11 0.00 0.56 0.00 0.00 36.38 35.02 3kd4 s VAL 170 CO 0.05 -0.89 1.46 -2.84 -0.31 0.00 0.00 175.10 172.57 3kd4 s PRO 171 N -3.89 4.15 0.29 4.82 0.02 -1.25 -0.06 135.00 139.08 3kd4 s PRO 171 Ca 0.11 2.51 -0.28 0.00 0.02 0.00 0.00 61.00 63.36 3kd4 s PRO 171 Cb 0.07 -2.99 -0.14 0.00 0.02 0.00 0.00 34.50 31.46 3kd4 s PRO 171 CO -0.06 -0.48 1.07 0.39 -0.33 0.00 0.00 177.00 177.59 3kd4 n GLU 172 N 0.55 1.49 0.00 5.54 1.02 -0.20 -1.76 120.64 127.28 3kd4 n GLU 172 Ca 0.01 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3kd4 n GLU 172 Cb 0.40 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 3kd4 n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kd4 n GLY 173 N 1.20 1.51 3.72 0.62 0.00 -1.26 -5.01 105.19 105.97 3kd4 n GLY 173 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3kd4 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kd4 s THR 174 N -2.37 4.95 0.32 2.61 2.01 -0.72 -5.03 115.64 117.40 3kd4 s THR 174 Ca 0.00 1.61 -0.29 0.00 0.31 0.00 0.00 61.69 63.32 3kd4 s THR 174 Cb 0.00 -4.11 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 3kd4 s THR 174 CO 0.00 0.26 1.38 -2.16 -0.69 0.00 0.00 174.62 173.40 3kd4 s PRO 175 N 0.67 4.28 -0.05 4.92 0.04 -1.26 -4.96 135.00 138.65 3kd4 s PRO 175 Ca 0.41 2.31 -0.00 0.00 0.04 0.00 0.00 61.00 63.75 3kd4 s PRO 175 Cb -0.19 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.32 3kd4 s PRO 175 CO 0.21 -0.32 0.00 -1.17 0.04 0.00 0.00 177.00 175.77 3kd4 s LEU 176 N -1.48 0.84 -0.09 -3.56 2.96 -1.26 -4.25 118.68 111.84 3kd4 s LEU 176 Ca 0.52 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 3kd4 s LEU 176 Cb -0.42 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.95 3kd4 s LEU 176 CO 0.52 -0.15 -0.16 0.00 -1.32 0.00 0.00 176.35 175.25 3kd4 s ALA 177 N 1.49 2.55 -0.06 5.97 0.00 -0.47 -5.00 121.76 126.23 3kd4 s ALA 177 Ca -0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 3kd4 s ALA 177 Cb -0.13 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 21.98 3kd4 s ALA 177 CO -0.03 0.38 0.29 0.00 0.00 0.00 0.00 175.76 176.40 3kd4 s GLY 179 N -0.55 -0.32 -0.43 0.00 0.00 -0.04 -5.00 107.32 100.98 3kd4 s GLY 179 Ca -0.07 0.90 -0.14 0.00 0.00 0.00 0.00 44.72 45.42 3kd4 s GLY 179 CO 0.02 0.66 0.31 -2.27 0.00 0.00 0.00 173.10 171.82 3kd4 s LEU 180 N -0.79 5.25 0.19 0.66 2.96 -1.26 -1.26 118.68 124.43 3kd4 s LEU 180 Ca -0.09 -1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 52.51 3kd4 s LEU 180 Cb -0.03 -2.12 -0.07 0.00 0.50 0.00 0.00 46.19 44.47 3kd4 s LEU 180 CO 0.04 -0.53 0.58 -0.31 -1.32 0.00 0.00 176.35 174.82 3kd4 s TYR 181 N 1.60 3.55 -0.58 5.38 1.51 0.50 -4.32 117.35 124.99 3kd4 s TYR 181 Ca 0.04 1.07 0.00 0.00 -1.01 0.00 0.00 57.07 57.17 3kd4 s TYR 181 Cb -0.22 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.25 3kd4 s TYR 181 CO 0.07 0.36 0.00 0.41 -1.11 0.00 0.00 175.55 175.27 3kd4 n GLY 182 N 0.49 0.43 3.64 0.71 0.00 -1.23 -0.66 105.19 108.56 3kd4 n GLY 182 Ca -0.03 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 3kd4 n GLY 182 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kd4 s SER 183 N -2.81 -0.57 0.00 1.61 0.15 -1.26 -3.88 113.70 106.94 3kd4 s SER 183 Ca 0.00 1.10 0.18 0.00 0.70 0.00 0.00 55.95 57.93 3kd4 s SER 183 Cb 0.00 1.12 0.59 0.00 -1.71 0.00 0.00 66.02 66.02 3kd4 s SER 183 CO 0.00 -0.19 1.45 -0.81 1.20 0.00 0.00 173.24 174.89 3kd4 n PRO 184 N 2.46 1.82 -2.02 5.44 -0.04 -1.26 -4.88 135.00 136.51 3kd4 n PRO 184 Ca -0.13 -1.25 -0.41 0.00 -0.04 0.00 0.00 63.50 61.66 3kd4 n PRO 184 Cb 0.56 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 3kd4 n PRO 184 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kd4 s VAL 185 N -1.67 2.68 0.06 0.52 1.01 -1.26 -4.96 120.40 116.77 3kd4 s VAL 185 Ca 0.30 0.58 -0.14 0.00 0.00 0.00 0.00 61.98 62.72 3kd4 s VAL 185 Cb 0.16 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 3kd4 s VAL 185 CO 0.23 0.09 0.45 -0.54 0.00 0.00 0.00 175.10 175.34 3kd4 s LYS 186 N -0.46 3.92 0.44 2.72 -0.14 -1.26 -4.89 119.74 120.06 3kd4 s LYS 186 Ca 0.59 0.40 -0.25 0.00 -1.36 0.00 0.00 55.97 55.34 3kd4 s LYS 186 Cb -0.42 -3.10 -0.08 0.00 -1.68 0.00 0.00 37.83 32.55 3kd4 s LYS 186 CO 0.44 0.60 1.41 0.00 -0.76 0.00 0.00 175.35 177.04 3kd4 s ALA 187 N -1.25 3.26 -0.18 5.17 0.00 -1.26 -4.77 121.76 122.73 3kd4 s ALA 187 Ca 0.30 1.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.67 3kd4 s ALA 187 Cb -0.16 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 3kd4 s ALA 187 CO 0.16 -1.13 -0.09 0.08 0.00 0.00 0.00 175.76 174.78 3kd4 s VAL 188 N -1.21 3.15 -0.06 0.00 1.01 0.53 -4.96 120.40 118.85 3kd4 s VAL 188 Ca 0.60 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 3kd4 s VAL 188 Cb -0.43 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3kd4 s VAL 188 CO 0.55 0.48 0.39 -1.61 0.00 0.00 0.00 175.10 174.91 3kd4 s GLU 189 N 0.96 4.05 -0.47 2.72 2.02 -1.26 -0.55 118.70 126.17 3kd4 s GLU 189 Ca -0.01 0.33 0.06 0.00 0.02 0.00 0.00 54.97 55.37 3kd4 s GLU 189 Cb -0.15 -3.31 0.18 0.00 0.10 0.00 0.00 34.13 30.96 3kd4 s GLU 189 CO -0.01 0.49 0.57 -2.00 0.02 0.00 0.00 175.26 174.33 3kd4 s GLU 190 N -0.40 0.99 0.45 1.61 2.12 0.15 -5.00 118.70 118.61 3kd4 s GLU 190 Ca 0.22 -1.42 -0.22 0.00 0.36 0.00 0.00 54.97 53.92 3kd4 s GLU 190 Cb -0.15 -0.57 -0.09 0.00 0.26 0.00 0.00 34.13 33.57 3kd4 s GLU 190 CO 0.10 -1.34 1.02 -1.54 -0.54 0.00 0.00 175.26 172.96 3kd4 s SER 191 N 0.62 6.61 -0.25 -1.70 1.04 -1.26 -3.44 113.70 115.32 3kd4 s SER 191 Ca 0.30 1.90 -0.26 0.00 0.48 0.00 0.00 55.95 58.37 3kd4 s SER 191 Cb 0.01 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.67 3kd4 s SER 191 CO -0.10 -0.60 0.93 -1.38 0.98 0.00 0.00 173.24 173.07 3kd4 s HIS 192 N -1.93 -0.55 -1.46 5.02 -0.00 -0.13 -4.98 115.29 111.27 3kd4 s HIS 192 Ca 0.63 1.28 -0.09 0.00 -0.00 0.00 0.00 55.06 56.88 3kd4 s HIS 192 Cb -0.16 0.35 0.04 0.00 -0.00 0.00 0.00 32.58 32.81 3kd4 s HIS 192 CO 0.20 -0.30 0.88 -0.25 -0.00 0.00 0.00 174.74 175.27 3kd4 n ASP 193 N 2.07 -5.60 -0.05 7.38 8.00 -1.26 0.10 116.55 127.19 3kd4 n ASP 193 Ca -0.13 -0.51 -0.01 0.00 0.71 0.00 0.00 54.79 54.86 3kd4 n ASP 193 Cb 0.56 -4.48 -0.00 0.00 -0.02 0.00 0.00 41.12 37.18 3kd4 n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kd4 n GLY 194 N -1.69 0.43 3.40 0.44 0.00 -1.26 -5.02 105.19 101.50 3kd4 n GLY 194 Ca -0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3kd4 n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd4 s ILE 195 N -1.82 2.82 -0.24 -0.61 1.01 0.12 -1.03 121.20 121.44 3kd4 s ILE 195 Ca 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 3kd4 s ILE 195 Cb 0.00 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 3kd4 s ILE 195 CO 0.00 0.57 0.15 -0.75 0.00 0.00 0.00 174.94 174.91 3kd4 s LYS 196 N -0.37 4.00 0.02 2.79 2.20 0.91 -0.95 119.74 128.34 3kd4 s LYS 196 Ca 0.03 -0.31 0.06 0.00 -0.36 0.00 0.00 55.97 55.40 3kd4 s LYS 196 Cb -0.12 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 3kd4 s LYS 196 CO 0.02 0.01 -0.18 -2.00 -0.36 0.00 0.00 175.35 172.84 3kd4 s GLU 197 N 1.19 1.31 -0.02 4.03 -6.30 -1.22 -0.90 118.70 116.79 3kd4 s GLU 197 Ca 0.07 -0.77 0.03 0.00 -2.50 0.00 0.00 54.97 51.80 3kd4 s GLU 197 Cb -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 34.13 32.65 3kd4 s GLU 197 CO 0.05 0.35 -0.11 0.08 0.02 0.00 0.00 175.26 175.65 3kd4 s VAL 198 N -0.64 0.92 0.06 3.70 1.01 0.11 -0.68 120.40 124.88 3kd4 s VAL 198 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3kd4 s VAL 198 Cb -0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3kd4 s VAL 198 CO 0.01 0.27 -0.05 -1.38 0.00 0.00 0.00 175.10 173.95 3kd4 s HIS 199 N -0.14 0.64 0.07 5.22 -3.43 0.28 -0.70 115.29 117.23 3kd4 s HIS 199 Ca 0.02 -0.95 0.03 0.00 -0.80 0.00 0.00 55.06 53.37 3kd4 s HIS 199 Cb -0.06 -0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 30.64 3kd4 s HIS 199 CO -0.00 -0.27 -0.10 -1.58 -2.00 0.00 0.00 174.74 170.79 3kd4 s TRP 200 N -3.52 0.93 -0.14 0.38 0.51 -0.01 -0.35 118.94 116.74 3kd4 s TRP 200 Ca 0.06 -0.55 -0.00 0.00 -2.12 0.00 0.00 56.10 53.49 3kd4 s TRP 200 Cb 0.05 -0.53 0.03 0.00 -0.81 0.00 0.00 33.47 32.21 3kd4 s TRP 200 CO -0.07 -0.03 -0.07 0.99 -0.51 0.00 0.00 176.95 177.26 3kd4 s THR 201 N -1.71 1.11 -0.03 2.01 2.01 -1.26 -1.53 115.64 116.25 3kd4 s THR 201 Ca -0.03 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3kd4 s THR 201 Cb -0.08 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 3kd4 s THR 201 CO 0.01 0.29 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.45 3kd4 s LEU 202 N 1.66 3.48 0.00 4.42 1.02 0.94 -4.96 118.68 125.24 3kd4 s LEU 202 Ca 0.03 0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.25 3kd4 s LEU 202 Cb -0.14 -1.93 -0.02 0.00 0.02 0.00 0.00 46.19 44.13 3kd4 s LEU 202 CO -0.08 0.31 -0.17 -0.13 0.02 0.00 0.00 176.35 176.30 3kd4 s ARG 203 N -1.33 1.27 -1.21 1.70 0.52 -1.26 -0.41 118.95 118.23 3kd4 s ARG 203 Ca 0.17 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 54.69 3kd4 s ARG 203 Cb -0.11 -1.26 -0.01 0.00 0.52 0.00 0.00 34.95 34.08 3kd4 s ARG 203 CO 0.07 0.34 0.84 0.09 0.02 0.00 0.00 175.30 176.66 3kd4 n ASN 204 N 2.43 -2.84 -4.69 0.23 3.02 0.10 -4.94 115.26 108.57 3kd4 n ASN 204 Ca -0.15 -0.76 -0.42 0.00 -0.03 0.00 0.00 54.58 53.21 3kd4 n ASN 204 Cb 0.54 -4.52 -0.03 0.00 -0.61 0.00 0.00 39.78 35.17 3kd4 n ASN 204 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kd4 s ILE 205 N -3.51 4.08 0.68 2.41 1.01 0.15 -4.91 121.20 121.11 3kd4 s ILE 205 Ca 0.13 1.44 -0.15 0.00 0.00 0.00 0.00 60.65 62.08 3kd4 s ILE 205 Cb -0.03 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.53 3kd4 s ILE 205 CO 0.78 0.03 1.13 -2.16 0.00 0.00 0.00 174.94 174.72 3kd4 s PRO 206 N 1.91 2.59 0.38 2.79 0.04 -1.26 -1.37 135.00 140.08 3kd4 s PRO 206 Ca 0.58 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 3kd4 s PRO 206 Cb -0.27 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 3kd4 s PRO 206 CO 0.25 -1.43 1.18 0.00 0.04 0.00 0.00 177.00 177.05 3kd4 n ALA 207 N -2.55 0.85 -1.66 8.56 0.00 -1.26 -4.57 120.51 119.88 3kd4 n ALA 207 Ca 0.11 0.31 -0.37 0.00 0.00 0.00 0.00 53.44 53.49 3kd4 n ALA 207 Cb 0.52 -2.19 0.07 0.00 0.00 0.00 0.00 19.45 17.85 3kd4 n ALA 207 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kd4 n SER 208 N 0.60 1.58 -4.78 0.00 3.41 -0.05 -4.92 113.62 109.46 3kd4 n SER 208 Ca 0.07 0.80 -0.35 0.00 -0.26 0.00 0.00 58.87 59.13 3kd4 n SER 208 Cb 0.37 -1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 62.80 3kd4 n SER 208 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kd4 s SER 209 N -1.39 6.21 0.00 4.04 0.15 -1.26 -4.89 113.70 116.56 3kd4 s SER 209 Ca 0.80 2.09 0.25 0.00 0.70 0.00 0.00 55.95 59.79 3kd4 s SER 209 Cb -0.38 -2.58 0.84 0.00 -1.71 0.00 0.00 66.02 62.19 3kd4 s SER 209 CO 0.43 -0.88 1.62 0.54 1.20 0.00 0.00 173.24 176.15 3kd4 n ARG 210 N -0.81 1.80 -1.60 5.44 1.74 -1.26 -4.95 116.66 117.01 3kd4 n ARG 210 Ca 0.09 -1.17 -0.49 0.00 -0.77 0.00 0.00 57.85 55.51 3kd4 n ARG 210 Cb 0.51 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 30.45 3kd4 n ARG 210 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kd4 n GLU 211 N 0.41 1.37 -1.52 5.56 1.02 -1.26 -4.97 120.64 121.24 3kd4 n GLU 211 Ca 0.18 0.49 -0.30 0.00 -0.02 0.00 0.00 57.16 57.50 3kd4 n GLU 211 Cb 0.39 -2.06 0.09 0.00 -0.02 0.00 0.00 31.44 29.84 3kd4 n GLU 211 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kd4 s ALA 212 N 0.03 2.23 -1.55 0.62 0.00 -1.26 -4.20 121.76 117.63 3kd4 s ALA 212 Ca 0.75 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 3kd4 s ALA 212 Cb -0.83 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.18 3kd4 s ALA 212 CO 0.50 -1.73 0.27 1.19 0.00 0.00 0.00 175.76 175.99 3kd4 n PHE 213 N -3.44 -1.50 -1.47 0.00 3.72 -1.26 -4.94 117.46 108.57 3kd4 n PHE 213 Ca 0.07 0.24 -0.30 0.00 -0.05 0.00 0.00 57.45 57.41 3kd4 n PHE 213 Cb 0.56 -3.91 0.09 0.00 -0.94 0.00 0.00 39.48 35.29 3kd4 n PHE 213 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3kd4 s GLN 214 N -5.38 2.05 0.32 -1.08 -0.21 -1.26 -0.79 119.66 113.31 3kd4 s GLN 214 Ca 0.15 0.75 -0.29 0.00 0.02 0.00 0.00 55.36 55.99 3kd4 s GLN 214 Cb -0.07 -1.90 -0.12 0.00 1.00 0.00 0.00 33.01 31.92 3kd4 s GLN 214 CO 0.19 -1.67 1.45 -2.30 -2.12 0.00 0.00 175.29 170.83 3kd4 n PRO 215 N -3.49 2.42 -0.28 2.91 -0.02 -1.26 -4.65 135.00 130.63 3kd4 n PRO 215 Ca 0.07 0.85 0.08 0.00 -2.02 0.00 0.00 63.50 62.49 3kd4 n PRO 215 Cb 0.55 -2.54 0.24 0.00 -0.02 0.00 0.00 33.50 31.73 3kd4 n PRO 215 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3kd4 h LYS 216 N 3.53 0.45 -4.55 -0.52 3.64 -1.96 -3.28 116.57 113.89 3kd4 h LYS 216 Ca -0.47 -0.03 -0.70 0.00 -1.27 0.00 0.00 60.65 58.18 3kd4 h LYS 216 Cb 1.26 -0.10 -0.32 0.00 -0.41 0.00 0.00 32.23 32.66 3kd4 h LYS 216 CO 0.70 0.30 -0.56 -0.80 -2.27 0.00 0.00 179.45 176.82 3kd4 s ASN 217 N -5.30 5.31 -0.32 4.20 0.01 -1.26 -5.05 114.94 112.52 3kd4 s ASN 217 Ca -0.12 -1.64 -0.26 0.00 -0.71 0.00 0.00 52.86 50.12 3kd4 s ASN 217 Cb 0.23 -1.86 0.01 0.00 0.41 0.00 0.00 41.25 40.04 3kd4 s ASN 217 CO 0.77 -0.47 0.94 -0.13 -1.51 0.00 0.00 177.10 176.71 3kd4 s ARG 218 N 1.27 3.99 0.25 -0.60 0.52 -1.24 -4.94 118.95 118.21 3kd4 s ARG 218 Ca 0.03 0.82 0.11 0.00 -0.52 0.00 0.00 55.73 56.16 3kd4 s ARG 218 Cb -0.22 -3.74 0.27 0.00 0.52 0.00 0.00 34.95 31.78 3kd4 s ARG 218 CO -0.01 -0.82 1.56 0.93 0.02 0.00 0.00 175.30 176.98 3kd4 h GLU 219 N 8.15 0.00 -0.83 3.54 5.08 -1.97 -3.03 114.58 125.52 3kd4 h GLU 219 Ca -0.22 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3kd4 h GLU 219 Cb 1.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 3kd4 h GLU 219 CO 0.97 0.66 0.09 0.00 -1.00 0.00 0.00 179.01 179.73 3kd4 n ALA 220 N -2.40 3.49 -3.23 3.43 0.00 -1.26 -3.57 120.51 116.97 3kd4 n ALA 220 Ca -0.01 -1.16 -0.39 0.00 0.00 0.00 0.00 53.44 51.88 3kd4 n ALA 220 Cb 0.67 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 3kd4 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kd4 s SER 221 N -0.37 5.53 0.03 0.00 0.15 -1.15 -4.92 113.70 112.99 3kd4 s SER 221 Ca 0.30 -1.36 -0.35 0.00 0.70 0.00 0.00 55.95 55.24 3kd4 s SER 221 Cb 0.23 -1.95 -0.14 0.00 -1.71 0.00 0.00 66.02 62.45 3kd4 s SER 221 CO 0.08 -0.46 1.64 -2.65 1.20 0.00 0.00 173.24 173.05 3kd4 n PRO 222 N 4.88 1.87 -4.10 5.44 -0.02 -1.25 -4.55 135.00 137.26 3kd4 n PRO 222 Ca -0.11 0.68 -0.16 0.00 -2.02 0.00 0.00 63.50 61.89 3kd4 n PRO 222 Cb 0.44 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 3kd4 n PRO 222 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3kd4 s HIS 223 N 1.99 0.45 -0.22 6.00 3.76 0.17 -0.73 115.29 126.70 3kd4 s HIS 223 Ca 0.86 -0.08 -0.13 0.00 -0.15 0.00 0.00 55.06 55.56 3kd4 s HIS 223 Cb -0.77 -0.35 -0.05 0.00 1.11 0.00 0.00 32.58 32.52 3kd4 s HIS 223 CO 0.46 -0.05 0.25 -1.17 -0.85 0.00 0.00 174.74 173.38 3kd4 s LEU 224 N 0.23 4.14 -0.11 0.89 2.96 -0.21 -0.37 118.68 126.21 3kd4 s LEU 224 Ca -0.02 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 3kd4 s LEU 224 Cb -0.06 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.38 3kd4 s LEU 224 CO -0.00 0.02 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.20 3kd4 s VAL 225 N 1.07 1.56 0.03 1.68 1.01 -0.39 -0.53 120.40 124.84 3kd4 s VAL 225 Ca 0.12 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 3kd4 s VAL 225 Cb -0.14 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.85 3kd4 s VAL 225 CO 0.05 0.45 0.35 0.00 0.00 0.00 0.00 175.10 175.95 3kd4 s ALA 226 N 0.97 -0.83 -0.18 5.51 0.00 -0.48 -0.86 121.76 125.89 3kd4 s ALA 226 Ca -0.07 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.90 3kd4 s ALA 226 Cb -0.15 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.29 3kd4 s ALA 226 CO -0.02 -0.39 0.51 0.45 0.00 0.00 0.00 175.76 176.31 3kd4 s SER 227 N -1.88 -0.53 0.00 0.00 0.15 0.05 -0.74 113.70 110.75 3kd4 s SER 227 Ca -0.07 0.99 0.16 0.00 0.70 0.00 0.00 55.95 57.73 3kd4 s SER 227 Cb -0.02 1.01 0.42 0.00 -1.71 0.00 0.00 66.02 65.72 3kd4 s SER 227 CO -0.01 -0.20 1.34 0.35 1.20 0.00 0.00 173.24 175.92 3kd4 n THR 228 N 2.69 0.92 -1.44 6.45 -2.24 -0.43 -1.36 114.28 118.86 3kd4 n THR 228 Ca -0.14 -0.96 -0.34 0.00 -2.27 0.00 0.00 64.05 60.35 3kd4 n THR 228 Cb 0.56 0.57 0.09 0.00 -2.10 0.00 0.00 70.33 69.45 3kd4 n THR 228 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3kd4 s TYR 229 N -1.03 2.16 0.51 4.78 2.02 -1.26 -4.61 117.35 119.92 3kd4 s TYR 229 Ca 0.33 1.60 0.15 0.00 -0.37 0.00 0.00 57.07 58.78 3kd4 s TYR 229 Cb 0.17 -3.38 1.22 0.00 -0.40 0.00 0.00 41.96 39.57 3kd4 s TYR 229 CO 0.23 -2.39 2.14 -1.35 -1.57 0.00 0.00 175.55 172.60 3kd4 h PRO 230 N -0.37 0.05 -2.18 -1.71 0.11 -1.93 -3.46 132.00 122.53 3kd4 h PRO 230 Ca -0.47 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.80 3kd4 h PRO 230 Cb 1.28 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.26 3kd4 h PRO 230 CO 0.50 0.04 0.54 -1.54 -0.21 0.00 0.00 178.00 177.33 3kd4 s SER 231 N -7.03 -0.24 0.29 -2.05 1.04 -1.26 -4.98 113.70 99.47 3kd4 s SER 231 Ca -0.05 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 3kd4 s SER 231 Cb 0.17 0.39 0.42 0.00 0.10 0.00 0.00 66.02 67.11 3kd4 s SER 231 CO 0.68 -0.69 1.95 1.23 0.98 0.00 0.00 173.24 177.39 3kd4 h GLY 232 N 2.00 1.16 1.00 7.32 0.00 -1.31 -1.20 103.07 112.04 3kd4 h GLY 232 Ca -0.23 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3kd4 h GLY 232 CO 0.28 0.44 0.25 1.70 0.00 0.00 0.00 176.54 179.21 3kd4 h LYS 233 N 1.11 0.51 -0.26 4.80 3.64 -1.84 -1.76 116.57 122.77 3kd4 h LYS 233 Ca 0.30 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3kd4 h LYS 233 Cb -0.09 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3kd4 h LYS 233 CO -0.06 0.34 -0.06 0.00 -2.27 0.00 0.00 179.45 177.40 3kd4 h ALA 234 N 1.14 1.41 -0.02 5.00 0.00 -1.77 -0.49 119.26 124.52 3kd4 h ALA 234 Ca 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kd4 h ALA 234 Cb -0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kd4 h ALA 234 CO -0.03 0.41 0.01 0.00 0.00 0.00 0.00 179.25 179.64 3kd4 h ALA 235 N 1.55 0.03 -0.87 0.00 0.00 -0.86 0.36 119.26 119.47 3kd4 h ALA 235 Ca 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kd4 h ALA 235 Cb 0.36 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3kd4 h ALA 235 CO 0.02 -0.37 0.53 -0.07 0.00 0.00 0.00 179.25 179.36 3kd4 h LEU 236 N -0.15 1.04 -0.83 0.00 3.38 -1.07 -1.98 115.31 115.71 3kd4 h LEU 236 Ca 0.01 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3kd4 h LEU 236 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kd4 h LEU 236 CO -0.00 0.80 -0.23 0.00 0.09 0.00 0.00 178.44 179.09 3kd4 h ALA 237 N 1.29 1.00 -0.58 1.53 0.00 -0.90 0.10 119.26 121.70 3kd4 h ALA 237 Ca 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kd4 h ALA 237 Cb -0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3kd4 h ALA 237 CO -0.06 0.59 0.33 1.15 0.00 0.00 0.00 179.25 181.26 3kd4 h THR 238 N 0.54 1.18 -0.35 0.00 2.02 -0.55 -0.01 112.91 115.76 3kd4 h THR 238 Ca 0.08 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3kd4 h THR 238 Cb 0.69 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3kd4 h THR 238 CO 0.05 0.19 0.14 0.25 0.37 0.00 0.00 175.52 176.53 3kd4 h LEU 239 N 0.78 0.47 -0.59 2.58 5.85 -1.00 -1.56 115.31 121.84 3kd4 h LEU 239 Ca 0.20 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3kd4 h LEU 239 Cb 0.02 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3kd4 h LEU 239 CO -0.03 0.50 0.38 -0.78 -0.34 0.00 0.00 178.44 178.17 3kd4 h ASP 240 N 0.41 0.65 -0.48 1.25 3.58 -0.47 -0.07 116.42 121.29 3kd4 h ASP 240 Ca 0.12 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.57 3kd4 h ASP 240 Cb 0.17 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 3kd4 h ASP 240 CO -0.01 0.46 0.30 0.11 -2.88 0.00 0.00 179.24 177.23 3kd4 h LYS 241 N 0.77 0.60 -0.74 0.28 1.57 -0.78 0.78 116.57 119.05 3kd4 h LYS 241 Ca 0.22 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3kd4 h LYS 241 Cb -0.06 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 3kd4 h LYS 241 CO -0.06 0.39 0.25 0.00 -0.57 0.00 0.00 179.45 179.46 3kd4 h ARG 242 N 0.61 1.13 -0.57 3.15 3.08 -0.68 -1.27 114.38 119.83 3kd4 h ARG 242 Ca 0.18 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3kd4 h ARG 242 Cb -0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 3kd4 h ARG 242 CO -0.06 0.94 0.28 -0.07 -1.07 0.00 0.00 179.97 180.00 3kd4 h LEU 243 N 1.09 0.73 -1.49 3.04 3.38 -0.57 -2.73 115.31 118.76 3kd4 h LEU 243 Ca 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kd4 h LEU 243 Cb 0.27 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kd4 h LEU 243 CO -0.01 0.64 -0.11 0.11 0.09 0.00 0.00 178.44 179.17 3kd4 h LYS 244 N 0.77 0.00 0.00 1.13 1.57 -0.39 -2.16 116.57 117.49 3kd4 h LYS 244 Ca 0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3kd4 h LYS 244 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3kd4 h LYS 244 CO -0.03 0.11 -0.07 0.93 -0.57 0.00 0.00 179.45 179.81 3kd4 h GLU 245 N 0.00 0.00 -6.84 3.15 5.08 -0.93 -3.45 114.58 111.59 3kd4 h GLU 245 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3kd4 h GLU 245 Cb 0.54 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.85 3kd4 h GLU 245 CO 0.01 0.07 0.63 -1.12 -1.00 0.00 0.00 179.01 177.61 3kd4 s SER 246 N -5.93 6.83 -0.55 1.42 0.01 -0.81 -4.92 113.70 109.75 3kd4 s SER 246 Ca 0.02 2.61 -0.27 0.00 1.31 0.00 0.00 55.95 59.62 3kd4 s SER 246 Cb 0.09 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.71 3kd4 s SER 246 CO 0.59 -0.50 1.07 -1.10 0.41 0.00 0.00 173.24 173.71 3kd4 s GLN 247 N -1.48 3.47 -0.17 12.44 -1.52 -1.26 -4.69 119.66 126.45 3kd4 s GLN 247 Ca 0.50 0.08 0.15 0.00 -1.95 0.00 0.00 55.36 54.13 3kd4 s GLN 247 Cb -0.39 -4.01 0.36 0.00 -0.22 0.00 0.00 33.01 28.75 3kd4 s GLN 247 CO 0.49 -1.54 1.19 0.41 -0.25 0.00 0.00 175.29 175.59 3kd4 n GLY 248 N 5.05 4.93 0.21 3.09 0.00 -1.26 -1.50 105.19 115.72 3kd4 n GLY 248 Ca 0.06 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 3kd4 n GLY 248 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kd4 h TYR 249 N 0.54 0.70 -0.29 1.61 0.05 -1.99 -1.40 116.97 116.19 3kd4 h TYR 249 Ca -0.00 -0.09 -0.11 0.00 0.05 0.00 0.00 58.73 58.58 3kd4 h TYR 249 Cb 1.02 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 3kd4 h TYR 249 CO 0.40 0.67 -0.28 0.93 -1.05 0.00 0.00 178.16 178.83 3kd4 h GLU 250 N 0.52 0.58 -0.72 4.88 3.07 -1.99 -2.82 114.58 118.11 3kd4 h GLU 250 Ca 0.13 -0.24 0.03 0.00 -0.50 0.00 0.00 59.36 58.78 3kd4 h GLU 250 Cb 0.33 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 3kd4 h GLU 250 CO 0.00 0.80 0.48 0.77 -1.40 0.00 0.00 179.01 179.66 3kd4 h SER 251 N 0.51 0.76 -0.11 1.42 0.02 -1.72 -0.05 113.55 114.37 3kd4 h SER 251 Ca 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3kd4 h SER 251 Cb 0.74 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3kd4 h SER 251 CO 0.06 0.53 0.04 0.11 -1.14 0.00 0.00 176.83 176.43 3kd4 h LYS 252 N 0.89 0.17 -0.62 3.45 1.57 -1.02 -0.52 116.57 120.49 3kd4 h LYS 252 Ca 0.29 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 3kd4 h LYS 252 Cb 0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3kd4 h LYS 252 CO -0.08 0.28 0.04 1.15 -0.57 0.00 0.00 179.45 180.26 3kd4 h THR 253 N 0.02 1.26 -0.39 -0.16 2.02 -1.39 -1.40 112.91 112.87 3kd4 h THR 253 Ca 0.04 -1.10 0.04 0.00 0.77 0.00 0.00 66.41 66.16 3kd4 h THR 253 Cb 0.17 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 3kd4 h THR 253 CO -0.00 0.40 0.16 0.15 0.37 0.00 0.00 175.52 176.60 3kd4 h PHE 254 N 0.97 0.28 -1.00 3.16 3.57 -0.89 0.35 116.94 123.39 3kd4 h PHE 254 Ca 0.18 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.71 3kd4 h PHE 254 Cb 0.51 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 3kd4 h PHE 254 CO 0.04 0.13 0.66 0.00 -2.23 0.00 0.00 178.31 176.90 3kd4 h ALA 255 N 1.24 1.30 -0.36 2.41 0.00 -0.55 -0.71 119.26 122.58 3kd4 h ALA 255 Ca 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3kd4 h ALA 255 Cb 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kd4 h ALA 255 CO -0.16 0.65 0.02 1.96 0.00 0.00 0.00 179.25 181.72 3kd4 h GLN 256 N 1.34 0.62 -0.42 0.00 4.20 -0.82 -2.30 115.11 117.73 3kd4 h GLN 256 Ca 0.37 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3kd4 h GLN 256 Cb -0.14 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 3kd4 h GLN 256 CO -0.08 0.72 0.03 0.74 -0.67 0.00 0.00 178.83 179.57 3kd4 h PHE 257 N 0.44 0.68 -0.23 2.96 -1.00 -0.60 0.67 116.94 119.87 3kd4 h PHE 257 Ca 0.10 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.78 3kd4 h PHE 257 Cb 0.43 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 3kd4 h PHE 257 CO 0.03 0.63 -0.01 -0.07 -1.61 0.00 0.00 178.31 177.29 3kd4 h LEU 258 N 0.63 0.31 -0.15 1.54 3.38 -0.96 -3.37 115.31 116.69 3kd4 h LEU 258 Ca 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kd4 h LEU 258 Cb 0.35 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kd4 h LEU 258 CO 0.01 0.38 0.00 0.35 0.09 0.00 0.00 178.44 179.27 3kd4 n THR 259 N -4.34 0.00 0.03 0.22 -2.24 -0.88 -4.68 114.28 102.39 3kd4 n THR 259 Ca 0.00 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.43 3kd4 n THR 259 Cb 0.20 1.01 0.57 0.00 -2.10 0.00 0.00 70.33 70.01 3kd4 n THR 259 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kd4 h ASP 260 N 0.00 0.21 -0.22 3.42 3.32 -1.03 -1.38 116.42 120.74 3kd4 h ASP 260 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 3kd4 h ASP 260 Cb 0.00 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3kd4 h ASP 260 CO 0.00 0.13 0.23 0.07 -1.72 0.00 0.00 179.24 177.95 3kd4 h LYS 261 N 0.23 0.00 -6.80 3.56 2.10 -1.84 -3.45 116.57 110.37 3kd4 h LYS 261 Ca 0.19 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.36 3kd4 h LYS 261 Cb 0.46 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.77 3kd4 h LYS 261 CO -0.04 0.00 0.34 0.45 -2.00 0.00 0.00 179.45 178.20 3kd4 s SER 262 N -5.77 7.48 0.00 7.07 0.15 -0.52 -4.95 113.70 117.16 3kd4 s SER 262 Ca -0.05 1.88 0.27 0.00 0.70 0.00 0.00 55.95 58.75 3kd4 s SER 262 Cb 0.15 -2.59 0.92 0.00 -1.71 0.00 0.00 66.02 62.79 3kd4 s SER 262 CO 0.56 0.05 1.66 0.61 1.20 0.00 0.00 173.24 177.32 3kd4 n GLY 263 N 1.04 -0.32 3.37 9.45 0.00 -1.26 -4.93 105.19 112.55 3kd4 n GLY 263 Ca -0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 3kd4 n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd4 s ASN 264 N -2.25 -0.40 0.21 1.61 2.20 -1.26 -5.06 114.94 109.99 3kd4 s ASN 264 Ca 0.31 0.05 -0.07 0.00 -0.94 0.00 0.00 52.86 52.21 3kd4 s ASN 264 Cb 0.20 0.49 0.17 0.00 -2.00 0.00 0.00 41.25 40.11 3kd4 s ASN 264 CO 0.43 -0.76 1.72 -0.33 -2.94 0.00 0.00 177.10 175.21 3kd4 h GLU 265 N 2.65 1.05 -0.81 3.55 5.08 -1.99 -2.59 114.58 121.53 3kd4 h GLU 265 Ca -0.32 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 57.74 3kd4 h GLU 265 Cb 1.23 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 3kd4 h GLU 265 CO 0.42 0.96 0.39 0.37 -1.00 0.00 0.00 179.01 180.15 3kd4 h GLN 266 N 0.99 1.16 -0.82 2.33 5.75 -1.97 -2.17 115.11 120.38 3kd4 h GLN 266 Ca 0.20 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3kd4 h GLN 266 Cb 0.42 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 3kd4 h GLN 266 CO 0.01 0.90 0.42 1.49 -2.65 0.00 0.00 178.83 179.00 3kd4 h GLU 267 N 1.14 1.16 -0.63 1.69 4.81 -1.90 -0.98 114.58 119.86 3kd4 h GLU 267 Ca 0.28 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3kd4 h GLU 267 Cb 0.12 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3kd4 h GLU 267 CO -0.03 0.87 0.38 0.87 -0.73 0.00 0.00 179.01 180.36 3kd4 h LYS 268 N 1.15 0.86 -0.27 1.92 1.57 -1.08 0.14 116.57 120.86 3kd4 h LYS 268 Ca 0.28 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3kd4 h LYS 268 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3kd4 h LYS 268 CO -0.04 0.63 0.15 0.28 -0.57 0.00 0.00 179.45 179.90 3kd4 h VAL 269 N 0.86 1.12 -0.74 0.50 2.07 -0.99 -2.03 116.25 117.04 3kd4 h VAL 269 Ca 0.23 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3kd4 h VAL 269 Cb -0.01 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3kd4 h VAL 269 CO -0.04 0.12 0.47 0.78 0.02 0.00 0.00 177.57 178.92 3kd4 h ASN 270 N 0.33 0.86 -0.45 0.57 2.35 -0.70 0.46 115.58 119.01 3kd4 h ASN 270 Ca 0.10 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kd4 h ASN 270 Cb 0.05 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3kd4 h ASN 270 CO -0.02 0.64 0.29 0.40 -1.65 0.00 0.00 177.43 177.10 3kd4 h ILE 271 N 1.00 1.12 -0.01 2.81 2.04 -0.47 -0.27 117.51 123.73 3kd4 h ILE 271 Ca 0.27 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3kd4 h ILE 271 Cb -0.08 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3kd4 h ILE 271 CO -0.05 0.11 -0.01 0.40 0.00 0.00 0.00 178.15 178.60 3kd4 h ILE 272 N 0.60 1.40 -0.50 -0.67 2.04 -1.05 -1.13 117.51 118.21 3kd4 h ILE 272 Ca 0.16 -1.20 0.06 0.00 1.00 0.00 0.00 64.86 64.89 3kd4 h ILE 272 Cb -0.06 2.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 3kd4 h ILE 272 CO -0.03 0.31 0.20 -0.09 0.00 0.00 0.00 178.15 178.53 3kd4 h ARG 273 N -0.48 0.37 -0.35 2.37 2.43 -0.91 -1.55 114.38 116.28 3kd4 h ARG 273 Ca 0.00 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 3kd4 h ARG 273 Cb 0.52 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3kd4 h ARG 273 CO 0.00 0.25 -0.34 -0.44 -1.51 0.00 0.00 179.97 177.93 3kd4 h ASP 274 N 0.39 0.82 -0.38 -3.80 3.32 -1.02 0.21 116.42 115.95 3kd4 h ASP 274 Ca 0.24 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.95 3kd4 h ASP 274 Cb 0.23 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3kd4 h ASP 274 CO -0.22 1.08 0.24 -0.74 -1.72 0.00 0.00 179.24 177.88 3kd4 h HIS 275 N 0.65 0.45 -0.28 4.55 2.76 -0.75 0.44 115.15 122.98 3kd4 h HIS 275 Ca 0.07 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3kd4 h HIS 275 Cb 0.88 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 3kd4 h HIS 275 CO 0.05 0.28 0.09 0.82 -1.30 0.00 0.00 177.93 177.86 3kd4 h ILE 276 N 0.49 1.20 -0.93 6.26 2.04 -1.10 -0.32 117.51 125.16 3kd4 h ILE 276 Ca 0.14 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3kd4 h ILE 276 Cb -0.03 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 3kd4 h ILE 276 CO -0.04 0.21 0.60 -0.07 0.00 0.00 0.00 178.15 178.85 3kd4 h LEU 277 N 0.30 1.00 0.00 1.44 3.38 -0.61 -1.21 115.31 119.60 3kd4 h LEU 277 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3kd4 h LEU 277 Cb 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kd4 h LEU 277 CO -0.00 0.68 -0.34 0.78 0.09 0.00 0.00 178.44 179.65 3kd4 h ASN 278 N 1.16 0.00 0.00 -0.43 2.35 0.13 -3.39 115.58 115.40 3kd4 h ASN 278 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3kd4 h ASN 278 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3kd4 h ASN 278 CO -0.12 0.15 -0.52 0.59 -1.65 0.00 0.00 177.43 175.88 3kd4 n ASN 279 N -3.06 2.59 -4.41 5.81 3.02 -0.15 -5.03 115.26 114.03 3kd4 n ASN 279 Ca 0.02 -0.24 -0.31 0.00 -0.03 0.00 0.00 54.58 54.02 3kd4 n ASN 279 Cb 0.60 1.00 -0.14 0.00 -0.61 0.00 0.00 39.78 40.62 3kd4 n ASN 279 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kd4 s LEU 280 N -2.51 2.43 0.04 3.41 1.02 -0.47 -4.82 118.68 117.77 3kd4 s LEU 280 Ca 0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 54.13 53.72 3kd4 s LEU 280 Cb 0.00 -1.45 -0.05 0.00 0.02 0.00 0.00 46.19 44.71 3kd4 s LEU 280 CO 0.00 0.30 0.27 -0.44 0.02 0.00 0.00 176.35 176.50 3kd4 s SER 281 N -0.94 6.46 -0.24 2.29 0.01 -0.45 -4.75 113.70 116.08 3kd4 s SER 281 Ca 0.12 0.49 -0.11 0.00 1.31 0.00 0.00 55.95 57.76 3kd4 s SER 281 Cb -0.10 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 3kd4 s SER 281 CO 0.01 0.21 0.20 -0.89 0.41 0.00 0.00 173.24 173.18 3kd4 s THR 282 N -1.39 5.33 -0.30 1.44 2.01 -1.26 -1.44 115.64 120.03 3kd4 s THR 282 Ca 0.31 0.26 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 3kd4 s THR 282 Cb -0.13 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 3kd4 s THR 282 CO 0.20 0.32 0.17 0.00 -0.69 0.00 0.00 174.62 174.61 3kd4 n PRO 284 N 5.02 3.53 -2.91 0.00 -0.04 -1.26 -3.96 135.00 135.38 3kd4 n PRO 284 Ca -0.14 -2.21 -0.42 0.00 -0.04 0.00 0.00 63.50 60.69 3kd4 n PRO 284 Cb 0.51 -2.84 -0.05 0.00 -0.04 0.00 0.00 33.50 31.08 3kd4 n PRO 284 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kd4 s ILE 285 N 2.36 4.82 0.00 0.52 1.01 -1.26 -4.87 121.20 123.78 3kd4 s ILE 285 Ca 0.66 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.73 3kd4 s ILE 285 Cb 0.17 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3kd4 s ILE 285 CO -0.06 -0.14 0.00 -2.65 0.00 0.00 0.00 174.94 172.09 3kd4 n PRO 286 N 6.08 3.12 -3.27 2.79 -0.02 -1.26 -4.82 135.00 137.62 3kd4 n PRO 286 Ca 0.05 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.34 3kd4 n PRO 286 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.92 3kd4 n PRO 286 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kd4 n ALA 288 N -3.00 -1.01 0.00 3.55 0.00 -1.26 -4.87 120.51 113.92 3kd4 n ALA 288 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3kd4 n ALA 288 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3kd4 n ALA 288 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kd4 n THR 290 N -2.99 0.00 -2.03 0.00 -2.24 -1.26 -4.57 114.28 101.19 3kd4 n THR 290 Ca 0.05 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.65 3kd4 n THR 290 Cb 0.43 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 3kd4 n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kd4 n GLY 291 N 0.00 0.47 3.54 3.38 0.00 -1.26 -2.29 105.19 109.02 3kd4 n GLY 291 Ca 0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 3kd4 n GLY 291 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kd4 n TYR 292 N -3.41 -2.54 -4.53 1.61 4.01 -1.26 -4.74 117.16 106.29 3kd4 n TYR 292 Ca -0.21 0.87 -0.25 0.00 -0.16 0.00 0.00 57.90 58.16 3kd4 n TYR 292 Cb 0.64 -4.63 -0.10 0.00 -0.31 0.00 0.00 39.34 34.94 3kd4 n TYR 292 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3kd4 s THR 293 N -3.27 1.16 0.10 -0.72 -4.23 -0.97 -4.96 115.64 102.75 3kd4 s THR 293 Ca 0.54 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.10 3kd4 s THR 293 Cb -0.25 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 3kd4 s THR 293 CO 0.67 0.00 -0.12 0.68 -0.54 0.00 0.00 174.62 175.31 3kd4 s VAL 294 N -3.14 1.07 0.88 2.29 -7.23 -1.26 -4.89 120.40 108.12 3kd4 s VAL 294 Ca 0.29 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 3kd4 s VAL 294 Cb 0.07 -1.34 0.12 0.00 0.56 0.00 0.00 36.38 35.79 3kd4 s VAL 294 CO 0.14 -0.45 1.09 -0.13 -0.31 0.00 0.00 175.10 175.44 3kd4 s ARG 295 N -2.54 1.41 -0.00 4.82 0.52 -1.26 -4.95 118.95 116.95 3kd4 s ARG 295 Ca 0.05 1.02 -0.39 0.00 -0.52 0.00 0.00 55.73 55.89 3kd4 s ARG 295 Cb -0.05 -1.81 -0.18 0.00 0.52 0.00 0.00 34.95 33.43 3kd4 s ARG 295 CO 0.01 -2.19 1.26 -3.47 0.02 0.00 0.00 175.30 170.93 3kd4 n ASP 296 N -3.88 0.92 -0.14 0.23 2.03 -1.26 -4.80 116.55 109.66 3kd4 n ASP 296 Ca 0.08 1.14 -0.01 0.00 0.52 0.00 0.00 54.79 56.52 3kd4 n ASP 296 Cb 0.54 -1.05 0.24 0.00 -0.72 0.00 0.00 41.12 40.13 3kd4 n ASP 296 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3kd4 h ILE 297 N 3.38 1.20 -0.45 5.18 1.08 -1.80 -0.45 117.51 125.65 3kd4 h ILE 297 Ca -0.49 -0.59 -0.07 0.00 -0.39 0.00 0.00 64.86 63.32 3kd4 h ILE 297 Cb 1.38 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 3kd4 h ILE 297 CO 0.74 0.24 -0.00 0.44 -0.69 0.00 0.00 178.15 178.88 3kd4 h ASP 298 N 0.84 0.71 -0.61 1.72 3.32 -1.60 -0.96 116.42 119.84 3kd4 h ASP 298 Ca 0.21 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 3kd4 h ASP 298 Cb 0.12 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3kd4 h ASP 298 CO -0.02 0.78 0.01 0.74 -1.72 0.00 0.00 179.24 179.03 3kd4 h THR 299 N 0.69 1.27 0.09 0.35 2.02 -1.46 0.65 112.91 116.52 3kd4 h THR 299 Ca 0.14 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.19 3kd4 h THR 299 Cb 0.43 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3kd4 h THR 299 CO 0.02 0.42 -0.18 0.58 0.37 0.00 0.00 175.52 176.72 3kd4 h VAL 300 N 0.99 0.59 -0.02 3.16 2.07 -0.45 -0.01 116.25 122.57 3kd4 h VAL 300 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 3kd4 h VAL 300 Cb 0.54 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3kd4 h VAL 300 CO 0.03 0.00 0.01 0.25 0.02 0.00 0.00 177.57 177.88 3kd4 h LEU 301 N -0.34 0.03 -0.79 2.57 5.85 -0.90 -1.50 115.31 120.23 3kd4 h LEU 301 Ca 0.03 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.78 3kd4 h LEU 301 Cb 0.37 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 3kd4 h LEU 301 CO -0.11 0.09 0.43 0.03 -0.34 0.00 0.00 178.44 178.54 3kd4 h ARG 302 N -0.04 0.69 0.00 1.25 3.08 -0.78 -2.49 114.38 116.10 3kd4 h ARG 302 Ca 0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3kd4 h ARG 302 Cb 0.07 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3kd4 h ARG 302 CO -0.00 0.45 -0.15 0.66 -1.07 0.00 0.00 179.97 179.86 3kd4 h SER 303 N 0.71 0.00 -0.53 7.04 4.64 -0.52 -3.47 113.55 121.41 3kd4 h SER 303 Ca 0.39 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.48 3kd4 h SER 303 Cb 0.39 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.39 3kd4 h SER 303 CO -0.27 0.15 -0.21 0.00 -0.87 0.00 0.00 176.83 175.64 3kd4 n ALA 304 N -2.16 -0.17 -2.36 5.18 0.00 -0.61 -5.01 120.51 115.39 3kd4 n ALA 304 Ca 0.02 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 3kd4 n ALA 304 Cb 0.47 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 3kd4 n ALA 304 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3kd4 s TYR 305 N -2.27 0.41 0.03 0.00 -0.85 -1.25 -1.34 117.35 112.08 3kd4 s TYR 305 Ca 0.00 -0.87 -0.27 0.00 -0.52 0.00 0.00 57.07 55.41 3kd4 s TYR 305 Cb 0.00 -0.30 0.09 0.00 0.38 0.00 0.00 41.96 42.13 3kd4 s TYR 305 CO 0.00 -0.36 0.79 0.20 -1.52 0.00 0.00 175.55 174.67 3kd4 s GLY 306 N -2.56 -0.50 0.88 5.49 0.00 -0.52 -4.79 107.32 105.31 3kd4 s GLY 306 Ca 0.01 0.97 -0.11 0.00 0.00 0.00 0.00 44.72 45.60 3kd4 s GLY 306 CO -0.08 0.40 1.09 -0.51 0.00 0.00 0.00 173.10 174.00 3kd4 s THR 307 N -2.96 2.75 0.31 0.90 -4.23 -1.25 -0.36 115.64 110.80 3kd4 s THR 307 Ca 0.02 0.25 0.06 0.00 -1.18 0.00 0.00 61.69 60.84 3kd4 s THR 307 Cb -0.01 -2.67 0.31 0.00 1.34 0.00 0.00 72.50 71.47 3kd4 s THR 307 CO -0.08 -0.32 1.80 -0.65 -0.54 0.00 0.00 174.62 174.83 3kd4 h PRO 308 N -1.52 0.75 -0.22 3.99 0.11 -1.88 0.20 132.00 133.43 3kd4 h PRO 308 Ca -0.48 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3kd4 h PRO 308 Cb 1.27 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3kd4 h PRO 308 CO 0.52 0.50 0.02 1.25 -0.21 0.00 0.00 178.00 180.08 3kd4 h LEU 309 N 0.77 0.35 -0.59 2.35 5.85 -1.93 -0.59 115.31 121.52 3kd4 h LEU 309 Ca 0.55 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 59.03 3kd4 h LEU 309 Cb 0.85 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 3kd4 h LEU 309 CO -0.34 0.54 0.35 -0.33 -0.34 0.00 0.00 178.44 178.32 3kd4 h GLU 310 N 0.15 0.65 -0.37 1.25 5.08 -1.76 -1.62 114.58 117.97 3kd4 h GLU 310 Ca 0.06 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3kd4 h GLU 310 Cb 0.35 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3kd4 h GLU 310 CO 0.01 0.43 -0.31 0.82 -1.00 0.00 0.00 179.01 178.96 3kd4 h ILE 311 N 0.67 1.28 -0.37 3.13 2.04 -0.83 0.62 117.51 124.05 3kd4 h ILE 311 Ca 0.25 -1.48 0.05 0.00 1.00 0.00 0.00 64.86 64.68 3kd4 h ILE 311 Cb 0.07 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3kd4 h ILE 311 CO -0.12 0.49 0.12 0.00 0.00 0.00 0.00 178.15 178.64 3kd4 h ALA 312 N 0.77 0.43 -0.40 1.87 0.00 -0.91 0.39 119.26 121.41 3kd4 h ALA 312 Ca 0.07 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3kd4 h ALA 312 Cb 0.89 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kd4 h ALA 312 CO 0.08 -0.27 -0.31 0.37 0.00 0.00 0.00 179.25 179.12 3kd4 h GLN 313 N 0.28 0.90 -0.41 0.00 5.75 -1.17 -0.82 115.11 119.63 3kd4 h GLN 313 Ca 0.17 -0.43 0.02 0.00 -0.15 0.00 0.00 58.65 58.26 3kd4 h GLN 313 Cb 0.15 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 3kd4 h GLN 313 CO -0.18 1.08 0.23 1.25 -2.65 0.00 0.00 178.83 178.56 3kd4 h LEU 314 N 0.76 0.36 -0.44 -2.39 5.85 -0.64 0.39 115.31 119.20 3kd4 h LEU 314 Ca 0.08 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kd4 h LEU 314 Cb 0.88 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3kd4 h LEU 314 CO 0.08 0.26 0.21 0.25 -0.34 0.00 0.00 178.44 178.90 3kd4 h LEU 315 N 0.46 0.57 -0.53 2.25 5.85 -0.77 -2.85 115.31 120.29 3kd4 h LEU 315 Ca 0.17 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3kd4 h LEU 315 Cb 0.04 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3kd4 h LEU 315 CO -0.09 0.54 0.31 -1.13 -0.34 0.00 0.00 178.44 177.72 3kd4 h ASN 316 N 0.57 0.49 0.00 1.25 -1.24 -0.67 0.47 115.58 116.45 3kd4 h ASN 316 Ca 0.15 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.17 3kd4 h ASN 316 Cb 0.11 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.07 3kd4 h ASN 316 CO -0.02 0.34 0.00 0.52 -1.29 0.00 0.00 177.43 176.98 3kd4 n VAL 317 N -4.80 0.00 0.00 2.57 0.31 0.08 -1.57 118.33 114.92 3kd4 n VAL 317 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3kd4 n VAL 317 Cb 0.09 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 3kd4 n VAL 317 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kd4 n LEU 319 N 0.36 0.00 -0.35 7.52 4.77 0.16 -1.23 117.00 128.22 3kd4 n LEU 319 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kd4 n LEU 319 Cb 0.05 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.30 3kd4 n LEU 319 CO 0.00 0.00 1.28 0.78 -1.33 0.00 0.00 177.39 178.12 3kd4 h ASN 320 N 0.00 1.07 0.28 -1.43 2.35 -1.10 -1.12 115.58 115.62 3kd4 h ASN 320 Ca 0.00 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 3kd4 h ASN 320 Cb 0.00 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 3kd4 h ASN 320 CO 0.00 0.74 -0.32 0.00 -1.65 0.00 0.00 177.43 176.20 3kd4 h ALA 321 N 1.42 1.40 0.00 -0.83 0.00 -1.42 -1.62 119.26 118.22 3kd4 h ALA 321 Ca 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kd4 h ALA 321 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kd4 h ALA 321 CO -0.11 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3kd4 n ALA 322 N -2.48 2.62 -0.48 0.00 0.00 -0.71 -4.71 120.51 114.76 3kd4 n ALA 322 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3kd4 n ALA 322 Cb 0.38 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3kd4 n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kd4 n GLY 323 N 0.85 0.76 3.40 0.00 0.00 -0.61 -5.04 105.19 104.55 3kd4 n GLY 323 Ca 0.19 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kd4 n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kd4 s ILE 324 N -2.00 4.87 0.09 -0.61 -1.09 -0.51 -5.00 121.20 116.96 3kd4 s ILE 324 Ca 0.00 -0.85 -0.31 0.00 -2.23 0.00 0.00 60.65 57.26 3kd4 s ILE 324 Cb 0.00 -3.76 -0.09 0.00 -1.58 0.00 0.00 42.46 37.03 3kd4 s ILE 324 CO 0.00 -0.32 1.73 -2.84 -1.23 0.00 0.00 174.94 172.28 3kd4 s PRO 325 N 1.60 4.17 0.05 2.79 0.02 -1.26 -2.77 135.00 139.60 3kd4 s PRO 325 Ca 0.03 2.45 -0.06 0.00 0.02 0.00 0.00 61.00 63.44 3kd4 s PRO 325 Cb -0.20 -3.59 -0.01 0.00 0.02 0.00 0.00 34.50 30.72 3kd4 s PRO 325 CO 0.08 -0.78 0.11 -1.12 -0.33 0.00 0.00 177.00 174.96 3kd4 s SER 326 N 2.54 0.19 -0.03 2.53 0.01 -1.26 -0.84 113.70 116.84 3kd4 s SER 326 Ca 0.77 -0.61 -0.13 0.00 1.31 0.00 0.00 55.95 57.29 3kd4 s SER 326 Cb -0.42 0.26 0.02 0.00 0.21 0.00 0.00 66.02 66.09 3kd4 s SER 326 CO 0.34 -0.58 0.29 -1.61 0.41 0.00 0.00 173.24 172.09 3kd4 s GLU 327 N -3.11 0.60 0.28 12.44 2.02 -0.62 -4.92 118.70 125.40 3kd4 s GLU 327 Ca -0.01 -0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.57 3kd4 s GLU 327 Cb 0.02 0.27 -0.09 0.00 0.10 0.00 0.00 34.13 34.42 3kd4 s GLU 327 CO -0.07 -0.16 1.06 0.08 0.02 0.00 0.00 175.26 176.20 3kd4 s VAL 328 N -1.12 3.62 0.06 2.63 1.01 -1.26 -1.00 120.40 124.34 3kd4 s VAL 328 Ca -0.12 1.60 0.08 0.00 0.00 0.00 0.00 61.98 63.55 3kd4 s VAL 328 Cb -0.05 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3kd4 s VAL 328 CO 0.03 0.36 -0.22 -0.76 0.00 0.00 0.00 175.10 174.51 3kd4 s LEU 329 N -1.50 2.43 -0.07 3.92 1.43 0.12 -1.49 118.68 123.52 3kd4 s LEU 329 Ca 0.45 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3kd4 s LEU 329 Cb -0.30 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3kd4 s LEU 329 CO 0.38 0.24 -0.01 0.00 0.23 0.00 0.00 176.35 177.19 3kd4 s ALA 330 N -0.92 3.22 -0.17 4.21 0.00 0.21 -1.62 121.76 126.69 3kd4 s ALA 330 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 3kd4 s ALA 330 Cb -0.10 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.62 3kd4 s ALA 330 CO 0.05 0.60 -0.13 0.08 0.00 0.00 0.00 175.76 176.35 3kd4 s VAL 331 N -0.90 2.80 0.22 0.00 1.01 0.10 -0.98 120.40 122.66 3kd4 s VAL 331 Ca 0.14 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.50 3kd4 s VAL 331 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3kd4 s VAL 331 CO 0.03 0.50 -0.01 -0.31 0.00 0.00 0.00 175.10 175.31 3kd4 s TYR 332 N 0.97 2.75 0.44 5.22 1.51 0.90 0.30 117.35 129.44 3kd4 s TYR 332 Ca -0.02 -0.19 -0.24 0.00 -1.01 0.00 0.00 57.07 55.61 3kd4 s TYR 332 Cb -0.15 -1.27 -0.10 0.00 -0.11 0.00 0.00 41.96 40.33 3kd4 s TYR 332 CO -0.02 0.57 1.07 -2.30 -1.11 0.00 0.00 175.55 173.75 3kd4 n PRO 333 N -0.50 1.44 0.26 -1.71 -0.02 -1.26 -0.73 135.00 132.48 3kd4 n PRO 333 Ca -0.08 0.52 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 3kd4 n PRO 333 Cb 0.57 -2.13 0.50 0.00 -0.02 0.00 0.00 33.50 32.42 3kd4 n PRO 333 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3kd4 h GLY 334 N 1.56 0.00 0.46 -1.23 0.00 -1.77 -3.07 103.07 99.02 3kd4 h GLY 334 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3kd4 h GLY 334 CO 0.57 0.00 -0.08 -2.39 0.00 0.00 0.00 176.54 174.64 3kd4 n HIS 335 N -3.10 0.00 -3.04 5.60 1.44 -1.26 -4.78 115.22 110.08 3kd4 n HIS 335 Ca 0.02 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.37 3kd4 n HIS 335 Cb 0.39 -0.09 -0.06 0.00 0.12 0.00 0.00 29.99 30.35 3kd4 n HIS 335 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3kd4 s LEU 336 N -2.26 4.29 -0.73 2.39 1.43 -1.16 -5.00 118.68 117.65 3kd4 s LEU 336 Ca 0.34 1.48 -0.27 0.00 -1.03 0.00 0.00 54.13 54.66 3kd4 s LEU 336 Cb 0.21 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 42.70 3kd4 s LEU 336 CO 0.42 -0.03 1.28 -0.62 0.23 0.00 0.00 176.35 177.63 3kd4 s ASP 337 N -1.74 6.17 0.00 2.29 -1.08 -1.26 -4.87 116.67 116.18 3kd4 s ASP 337 Ca 0.46 -0.42 0.22 0.00 -0.52 0.00 0.00 52.55 52.29 3kd4 s ASP 337 Cb -0.16 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 39.73 3kd4 s ASP 337 CO 0.21 -1.83 1.71 0.35 0.52 0.00 0.00 175.17 176.13 3kd4 n THR 338 N 6.40 0.44 0.23 1.71 -2.24 -1.26 -1.80 114.28 117.76 3kd4 n THR 338 Ca 0.03 0.11 0.10 0.00 -2.27 0.00 0.00 64.05 62.02 3kd4 n THR 338 Cb 0.49 -0.73 0.52 0.00 -2.10 0.00 0.00 70.33 68.51 3kd4 n THR 338 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kd4 h ASP 339 N 0.00 0.00 -0.41 3.42 3.32 -1.95 -3.30 116.42 117.49 3kd4 h ASP 339 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kd4 h ASP 339 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3kd4 h ASP 339 CO 0.00 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 3kd4 n ALA 340 N -2.27 2.24 -2.73 3.45 0.00 -0.74 -1.28 120.51 119.18 3kd4 n ALA 340 Ca -0.01 -1.20 -0.25 0.00 0.00 0.00 0.00 53.44 51.98 3kd4 n ALA 340 Cb 0.38 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 3kd4 n ALA 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kd4 n GLY 342 N -0.53 3.07 0.16 0.00 0.00 -1.26 -3.95 105.19 102.68 3kd4 n GLY 342 Ca -0.08 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.19 3kd4 n GLY 342 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kd4 h LEU 343 N 0.00 0.00 -1.61 0.99 3.38 -1.94 -3.31 115.31 112.82 3kd4 h LEU 343 Ca 0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kd4 h LEU 343 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kd4 h LEU 343 CO 0.00 0.01 -0.21 0.00 0.09 0.00 0.00 178.44 178.33 3kd4 h ALA 344 N 2.16 1.38 -0.00 1.53 0.00 -1.90 -1.67 119.26 120.76 3kd4 h ALA 344 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kd4 h ALA 344 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kd4 h ALA 344 CO 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.45 3kd4 n ALA 345 N -2.38 2.58 -2.06 0.00 0.00 -1.25 -4.72 120.51 112.68 3kd4 n ALA 345 Ca -0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 3kd4 n ALA 345 Cb 0.30 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 3kd4 n ALA 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kd4 s ILE 346 N -2.72 3.04 -0.19 0.00 1.01 -0.63 -4.44 121.20 117.28 3kd4 s ILE 346 Ca 0.23 0.71 0.15 0.00 0.00 0.00 0.00 60.65 61.74 3kd4 s ILE 346 Cb 0.20 -3.46 -0.24 0.00 0.01 0.00 0.00 42.46 38.97 3kd4 s ILE 346 CO 0.50 0.05 0.11 0.00 0.00 0.00 0.00 174.94 175.60 3kd4 n GLN 347 N 4.21 0.68 -3.85 2.79 10.64 0.15 -5.00 117.38 127.01 3kd4 n GLN 347 Ca 0.13 0.05 -0.08 0.00 -1.83 0.00 0.00 57.00 55.26 3kd4 n GLN 347 Cb 0.41 -1.55 -0.03 0.00 -0.86 0.00 0.00 30.24 28.20 3kd4 n GLN 347 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 3kd4 s THR 348 N -2.51 0.01 0.20 -0.39 -4.23 -1.13 -5.01 115.64 102.59 3kd4 s THR 348 Ca -0.12 -1.01 0.11 0.00 -1.18 0.00 0.00 61.69 59.49 3kd4 s THR 348 Cb 0.07 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 3kd4 s THR 348 CO 0.80 -0.03 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.87 3kd4 s LEU 349 N -2.93 2.49 0.30 4.79 1.43 -1.26 -0.72 118.68 122.78 3kd4 s LEU 349 Ca 0.13 -0.87 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 3kd4 s LEU 349 Cb -0.03 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 3kd4 s LEU 349 CO 0.04 0.11 0.45 0.00 0.23 0.00 0.00 176.35 177.19 3kd4 s ALA 350 N -1.77 0.40 -0.07 4.21 0.00 -0.64 -4.77 121.76 119.13 3kd4 s ALA 350 Ca 0.22 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3kd4 s ALA 350 Cb -0.08 1.13 0.01 0.00 0.00 0.00 0.00 23.12 24.19 3kd4 s ALA 350 CO 0.11 -0.80 -0.13 0.08 0.00 0.00 0.00 175.76 175.02 3kd4 s VAL 351 N -3.47 1.18 -0.13 0.00 1.01 0.12 -0.71 120.40 118.40 3kd4 s VAL 351 Ca 0.28 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 3kd4 s VAL 351 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3kd4 s VAL 351 CO 0.15 0.36 0.56 -0.75 0.00 0.00 0.00 175.10 175.43 3kd4 s LYS 352 N 0.64 4.32 -0.13 2.72 2.20 -0.17 0.18 119.74 129.51 3kd4 s LYS 352 Ca -0.15 0.57 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 3kd4 s LYS 352 Cb -0.16 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3kd4 s LYS 352 CO 0.04 0.02 -0.15 0.00 -0.36 0.00 0.00 175.35 174.90 3kd4 s ALA 353 N 1.04 1.81 -0.49 3.13 0.00 0.27 -1.59 121.76 125.94 3kd4 s ALA 353 Ca 0.29 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 51.23 3kd4 s ALA 353 Cb -0.16 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.08 3kd4 s ALA 353 CO 0.12 -0.19 0.57 0.99 0.00 0.00 0.00 175.76 177.25 3kd4 s THR 354 N 1.16 4.95 -0.35 0.00 2.01 -0.02 -0.68 115.64 122.72 3kd4 s THR 354 Ca -0.02 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 3kd4 s THR 354 Cb -0.14 -4.24 0.04 0.00 0.01 0.00 0.00 72.50 68.17 3kd4 s THR 354 CO -0.05 -0.72 0.13 -0.69 -0.69 0.00 0.00 174.62 172.59 3kd4 s VAL 355 N 2.43 3.91 -1.36 3.82 1.01 0.15 -4.10 120.40 126.25 3kd4 s VAL 355 Ca 0.13 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3kd4 s VAL 355 Cb -0.20 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3kd4 s VAL 355 CO 0.11 -0.21 0.58 0.47 0.00 0.00 0.00 175.10 176.06 3kd4 n ASP 356 N 4.84 -0.87 0.00 3.32 8.00 -1.26 -1.71 116.55 128.86 3kd4 n ASP 356 Ca -0.12 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3kd4 n ASP 356 Cb 0.45 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 3kd4 n ASP 356 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kd4 n GLY 357 N -1.76 0.30 3.16 0.44 0.00 -1.26 -5.00 105.19 101.07 3kd4 n GLY 357 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3kd4 n GLY 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kd4 s LYS 358 N -0.88 2.65 0.30 1.61 1.02 -0.70 -5.09 119.74 118.65 3kd4 s LYS 358 Ca 0.00 -0.75 -0.24 0.00 0.02 0.00 0.00 55.97 55.00 3kd4 s LYS 358 Cb 0.00 -2.04 -0.09 0.00 -0.52 0.00 0.00 37.83 35.18 3kd4 s LYS 358 CO 0.00 0.14 0.88 -0.51 -0.92 0.00 0.00 175.35 174.94 3kd4 s ASP 359 N 0.42 7.26 0.06 2.83 1.01 -1.26 -0.67 116.67 126.32 3kd4 s ASP 359 Ca -0.17 1.72 0.02 0.00 0.71 0.00 0.00 52.55 54.83 3kd4 s ASP 359 Cb -0.17 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.19 3kd4 s ASP 359 CO 0.07 -0.04 -0.08 0.00 0.21 0.00 0.00 175.17 175.33 3kd4 s GLN 360 N -2.05 0.65 -0.12 8.23 -2.07 0.14 -4.94 119.66 119.51 3kd4 s GLN 360 Ca 0.48 -0.97 -0.01 0.00 -1.82 0.00 0.00 55.36 53.05 3kd4 s GLN 360 Cb -0.18 -0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 31.42 3kd4 s GLN 360 CO 0.23 0.03 -0.09 0.71 -1.32 0.00 0.00 175.29 174.85 3kd4 s TYR 361 N -2.14 2.88 -0.20 9.60 2.02 -1.26 -0.56 117.35 127.69 3kd4 s TYR 361 Ca -0.02 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.23 3kd4 s TYR 361 Cb -0.05 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 3kd4 s TYR 361 CO -0.01 -0.05 -0.02 -0.51 -1.57 0.00 0.00 175.55 173.40 3kd4 s LEU 362 N 0.09 3.17 0.17 -1.29 1.02 0.13 -4.86 118.68 117.12 3kd4 s LEU 362 Ca -0.04 -0.23 -0.24 0.00 0.02 0.00 0.00 54.13 53.64 3kd4 s LEU 362 Cb -0.14 -1.80 0.07 0.00 0.02 0.00 0.00 46.19 44.34 3kd4 s LEU 362 CO 0.04 0.06 0.98 -0.94 0.02 0.00 0.00 176.35 176.51 3kd4 s SER 363 N 1.00 -0.11 0.16 2.29 1.04 -1.26 -0.70 113.70 116.12 3kd4 s SER 363 Ca 0.01 -0.52 -0.12 0.00 0.48 0.00 0.00 55.95 55.81 3kd4 s SER 363 Cb -0.14 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.53 3kd4 s SER 363 CO 0.01 -0.96 1.67 0.00 0.98 0.00 0.00 173.24 174.94 3kd4 h ALA 364 N 2.00 0.73 -4.38 5.32 0.00 -1.98 -3.41 119.26 117.55 3kd4 h ALA 364 Ca -0.25 -0.22 -0.66 0.00 0.00 0.00 0.00 54.91 53.78 3kd4 h ALA 364 Cb 1.23 -0.21 -0.28 0.00 0.00 0.00 0.00 17.79 18.53 3kd4 h ALA 364 CO 0.29 0.44 -0.87 0.45 0.00 0.00 0.00 179.25 179.56 3kd4 s SER 365 N -6.23 2.85 0.16 0.00 0.15 -1.26 -5.09 113.70 104.28 3kd4 s SER 365 Ca -0.13 -0.50 -0.33 0.00 0.70 0.00 0.00 55.95 55.70 3kd4 s SER 365 Cb 0.12 -0.28 -0.13 0.00 -1.71 0.00 0.00 66.02 64.02 3kd4 s SER 365 CO 0.81 0.26 1.66 -2.65 1.20 0.00 0.00 173.24 174.52 3kd4 n PRO 366 N 2.15 2.41 0.25 5.44 -0.02 -1.26 -4.85 135.00 139.12 3kd4 n PRO 366 Ca -0.16 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 3kd4 n PRO 366 Cb 0.52 -2.68 0.74 0.00 -0.02 0.00 0.00 33.50 32.07 3kd4 n PRO 366 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kd4 h LEU 367 N 6.60 0.00 0.00 2.45 3.38 -1.93 -1.15 115.31 124.65 3kd4 h LEU 367 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3kd4 h LEU 367 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3kd4 h LEU 367 CO 0.92 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.80 3kd4 n THR 368 N -4.26 0.45 -0.06 0.22 -2.24 -1.26 -0.93 114.28 106.19 3kd4 n THR 368 Ca -0.02 0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 3kd4 n THR 368 Cb 0.13 -0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 67.57 3kd4 n THR 368 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3kd4 h ASN 369 N 0.00 0.32 0.39 3.42 4.21 -1.42 -0.74 115.58 121.76 3kd4 h ASN 369 Ca 0.00 -0.25 -0.18 0.00 1.21 0.00 0.00 56.30 57.08 3kd4 h ASN 369 Cb 0.31 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 3kd4 h ASN 369 CO 0.00 0.49 -1.77 0.54 -1.29 0.00 0.00 177.43 175.41 3kd4 n ARG 370 N -4.75 0.65 0.00 0.81 1.74 -1.17 -4.36 116.66 109.58 3kd4 n ARG 370 Ca -0.04 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3kd4 n ARG 370 Cb 0.19 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3kd4 n ARG 370 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kd4 n GLY 371 N 1.45 3.38 0.00 -0.13 0.00 -0.10 -1.25 105.19 108.55 3kd4 n GLY 371 Ca -0.14 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3kd4 n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kd4 n GLY 372 N 0.00 -0.67 0.20 -0.02 0.00 -1.21 -3.04 105.19 100.45 3kd4 n GLY 372 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 45.99 3kd4 n GLY 372 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kd4 h LEU 373 N 0.00 0.00 -9.59 0.99 3.38 -1.55 -3.45 115.31 105.09 3kd4 h LEU 373 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3kd4 h LEU 373 Cb 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 3kd4 h LEU 373 CO 0.00 0.32 -0.63 -1.81 0.09 0.00 0.00 178.44 176.41 3kd4 s ASP 374 N -6.77 4.88 -0.21 -0.43 1.01 -1.17 -2.43 116.67 111.55 3kd4 s ASP 374 Ca -0.03 -0.42 -0.11 0.00 0.71 0.00 0.00 52.55 52.71 3kd4 s ASP 374 Cb 0.14 -1.06 -0.05 0.00 1.01 0.00 0.00 42.92 42.96 3kd4 s ASP 374 CO 0.70 0.05 0.17 -0.54 0.21 0.00 0.00 175.17 175.75 3kd4 s LYS 375 N -3.27 4.15 -0.12 8.23 1.02 0.09 -4.75 119.74 125.10 3kd4 s LYS 375 Ca 0.29 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 56.12 3kd4 s LYS 375 Cb -0.08 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 3kd4 s LYS 375 CO 0.20 0.19 -0.18 0.08 -0.92 0.00 0.00 175.35 174.72 3kd4 s VAL 376 N 0.66 2.57 -0.03 3.17 1.01 -1.26 -0.07 120.40 126.45 3kd4 s VAL 376 Ca 0.09 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3kd4 s VAL 376 Cb -0.12 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.24 3kd4 s VAL 376 CO 0.01 0.54 -0.01 -0.69 0.00 0.00 0.00 175.10 174.96 3kd4 s VAL 377 N 0.36 0.22 0.77 2.92 1.01 -0.15 -0.27 120.40 125.26 3kd4 s VAL 377 Ca -0.15 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 3kd4 s VAL 377 Cb -0.17 -0.30 0.06 0.00 0.00 0.00 0.00 36.38 35.97 3kd4 s VAL 377 CO 0.07 0.15 1.13 -0.94 0.00 0.00 0.00 175.10 175.51 3kd4 s SER 378 N 0.95 4.21 0.62 3.32 1.04 -0.11 -0.62 113.70 123.11 3kd4 s SER 378 Ca -0.10 2.06 0.40 0.00 0.48 0.00 0.00 55.95 58.79 3kd4 s SER 378 Cb -0.13 -2.55 2.04 0.00 0.10 0.00 0.00 66.02 65.47 3kd4 s SER 378 CO -0.01 -2.24 2.22 -0.07 0.98 0.00 0.00 173.24 174.12 3kd4 h LEU 379 N -0.87 0.00 -0.94 2.42 3.38 -1.60 0.27 115.31 117.97 3kd4 h LEU 379 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3kd4 h LEU 379 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3kd4 h LEU 379 CO 0.49 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.48 3kd4 n SER 380 N -3.06 1.40 0.00 -0.43 3.41 -1.26 -3.59 113.62 110.09 3kd4 n SER 380 Ca -0.02 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 3kd4 n SER 380 Cb 0.15 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3kd4 n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kd4 n GLY 381 N 1.06 0.96 3.62 5.00 0.00 0.95 -5.02 105.19 111.77 3kd4 n GLY 381 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3kd4 n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kd4 s THR 382 N -2.00 5.20 0.37 2.61 2.01 -1.25 -4.83 115.64 117.75 3kd4 s THR 382 Ca 0.00 0.55 -0.27 0.00 0.31 0.00 0.00 61.69 62.28 3kd4 s THR 382 Cb 0.00 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 3kd4 s THR 382 CO 0.00 0.20 1.25 -0.44 -0.69 0.00 0.00 174.62 174.93 3kd4 s SER 383 N 1.47 6.61 -0.14 3.53 0.01 -1.26 -0.93 113.70 122.99 3kd4 s SER 383 Ca 0.15 2.54 0.01 0.00 1.31 0.00 0.00 55.95 59.96 3kd4 s SER 383 Cb -0.15 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.46 3kd4 s SER 383 CO 0.09 -0.63 -0.15 -0.63 0.41 0.00 0.00 173.24 172.33 3kd4 s ILE 384 N -1.25 1.62 -1.05 1.44 1.01 0.63 -4.94 121.20 118.65 3kd4 s ILE 384 Ca 0.53 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 60.29 3kd4 s ILE 384 Cb -0.36 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 40.67 3kd4 s ILE 384 CO 0.47 0.47 1.45 -0.70 0.00 0.00 0.00 174.94 176.62 3kd4 s GLU 385 N 1.33 3.66 0.11 2.79 2.12 -1.26 -4.26 118.70 123.19 3kd4 s GLU 385 Ca 0.02 -1.35 -0.30 0.00 0.36 0.00 0.00 54.97 53.70 3kd4 s GLU 385 Cb -0.13 -5.33 -0.06 0.00 0.26 0.00 0.00 34.13 28.87 3kd4 s GLU 385 CO -0.09 -2.16 1.17 0.42 -0.54 0.00 0.00 175.26 174.07 3kd4 s ILE 386 N 4.54 3.92 0.58 -3.70 -1.09 -1.26 -5.02 121.20 119.17 3kd4 s ILE 386 Ca 0.45 1.47 -0.16 0.00 -2.23 0.00 0.00 60.65 60.18 3kd4 s ILE 386 Cb -0.00 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 3kd4 s ILE 386 CO -0.07 0.17 1.06 -1.83 -1.23 0.00 0.00 174.94 173.03 3kd4 s GLU 387 N 0.51 3.36 -0.36 2.79 -1.05 -1.26 -3.31 118.70 119.37 3kd4 s GLU 387 Ca 0.56 1.24 -0.15 0.00 -0.15 0.00 0.00 54.97 56.47 3kd4 s GLU 387 Cb -0.30 -2.04 -0.00 0.00 -0.44 0.00 0.00 34.13 31.35 3kd4 s GLU 387 CO 0.32 -0.78 0.33 0.99 0.95 0.00 0.00 175.26 177.07 3kd4 s THR 388 N -2.38 5.20 -0.14 1.83 2.01 -1.26 -4.23 115.64 116.67 3kd4 s THR 388 Ca 0.64 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.47 3kd4 s THR 388 Cb -0.16 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3kd4 s THR 388 CO 0.35 -0.15 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.04 3kd4 s THR 389 N 1.90 2.35 0.40 -0.82 2.01 -0.28 -5.04 115.64 116.16 3kd4 s THR 389 Ca 0.09 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 60.94 3kd4 s THR 389 Cb -0.17 -1.96 -0.09 0.00 0.01 0.00 0.00 72.50 70.28 3kd4 s THR 389 CO 0.11 0.53 1.38 -2.84 -0.69 0.00 0.00 174.62 173.12 3kd4 s PRO 390 N 0.76 4.00 0.24 4.92 0.02 -1.26 -4.47 135.00 139.22 3kd4 s PRO 390 Ca -0.07 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 3kd4 s PRO 390 Cb -0.16 -2.84 -0.09 0.00 0.02 0.00 0.00 34.50 31.43 3kd4 s PRO 390 CO 0.00 -0.53 1.23 0.42 -0.33 0.00 0.00 177.00 177.79 3kd4 s ILE 391 N -1.19 3.26 -0.21 2.83 -1.09 -0.61 -4.88 121.20 119.32 3kd4 s ILE 391 Ca 0.55 1.14 -0.04 0.00 -2.23 0.00 0.00 60.65 60.08 3kd4 s ILE 391 Cb -0.42 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 3kd4 s ILE 391 CO 0.55 0.22 -0.04 -1.10 -1.23 0.00 0.00 174.94 173.34 3kd4 s GLN 392 N -0.84 3.46 -0.08 2.79 -1.52 -1.26 -0.98 119.66 121.22 3kd4 s GLN 392 Ca 0.51 -0.60 0.05 0.00 -1.95 0.00 0.00 55.36 53.37 3kd4 s GLN 392 Cb -0.35 -3.00 -0.01 0.00 -0.22 0.00 0.00 33.01 29.43 3kd4 s GLN 392 CO 0.42 -0.09 -0.23 0.42 -0.25 0.00 0.00 175.29 175.55 3kd4 s ILE 393 N 1.22 2.17 -0.21 1.08 1.01 -0.18 -5.00 121.20 121.28 3kd4 s ILE 393 Ca 0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 3kd4 s ILE 393 Cb -0.14 -1.81 0.09 0.00 0.01 0.00 0.00 42.46 40.60 3kd4 s ILE 393 CO -0.01 0.56 0.17 -0.75 0.00 0.00 0.00 174.94 174.92 3kd4 s LYS 394 N 0.06 0.15 0.16 2.79 2.20 -1.26 -1.03 119.74 122.81 3kd4 s LYS 394 Ca -0.10 -0.02 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 3kd4 s LYS 394 Cb -0.16 -1.39 -0.05 0.00 -1.51 0.00 0.00 37.83 34.73 3kd4 s LYS 394 CO 0.06 -0.73 -0.09 -1.21 -0.36 0.00 0.00 175.35 173.02 3kd4 s GLU 395 N 2.23 1.09 0.03 4.03 2.02 -0.30 -5.00 118.70 122.80 3kd4 s GLU 395 Ca 0.06 -1.48 0.03 0.00 0.02 0.00 0.00 54.97 53.60 3kd4 s GLU 395 Cb -0.16 -0.61 -0.02 0.00 0.10 0.00 0.00 34.13 33.44 3kd4 s GLU 395 CO -0.16 0.05 -0.10 -1.12 0.02 0.00 0.00 175.26 173.95 3kd4 s SER 396 N -3.18 1.18 -0.00 -0.19 0.01 -1.26 -0.80 113.70 109.45 3kd4 s SER 396 Ca 0.18 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 3kd4 s SER 396 Cb 0.03 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.20 3kd4 s SER 396 CO 0.02 -0.04 0.04 -0.13 0.41 0.00 0.00 173.24 173.53 3kd4 s ARG 397 N -1.08 0.22 -0.16 12.44 1.81 -0.14 -4.94 118.95 127.11 3kd4 s ARG 397 Ca -0.02 -0.25 -0.04 0.00 -1.72 0.00 0.00 55.73 53.70 3kd4 s ARG 397 Cb -0.07 0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 3kd4 s ARG 397 CO 0.01 -0.04 -0.04 -1.12 -0.68 0.00 0.00 175.30 173.43 3kd4 s SER 398 N -0.74 4.80 -0.06 0.23 0.01 -1.26 -0.78 113.70 115.90 3kd4 s SER 398 Ca -0.08 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.08 3kd4 s SER 398 Cb -0.05 -1.78 0.01 0.00 0.21 0.00 0.00 66.02 64.40 3kd4 s SER 398 CO -0.00 0.17 -0.16 -0.69 0.41 0.00 0.00 173.24 172.97 3kd4 s VAL 399 N 0.36 1.39 -0.07 3.43 1.01 0.56 -4.94 120.40 122.13 3kd4 s VAL 399 Ca -0.04 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.33 3kd4 s VAL 399 Cb -0.14 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3kd4 s VAL 399 CO 0.03 0.41 -0.19 0.00 0.00 0.00 0.00 175.10 175.34 3kd4 s ALA 400 N 0.39 2.40 -0.17 5.51 0.00 -1.26 0.56 121.76 129.19 3kd4 s ALA 400 Ca -0.11 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3kd4 s ALA 400 Cb -0.15 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.14 3kd4 s ALA 400 CO 0.04 0.43 -0.15 0.42 0.00 0.00 0.00 175.76 176.50 3kd4 s ILE 401 N -0.24 1.72 0.45 0.00 1.01 -0.51 -4.96 121.20 118.67 3kd4 s ILE 401 Ca -0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 3kd4 s ILE 401 Cb -0.13 -1.64 -0.10 0.00 0.01 0.00 0.00 42.46 40.60 3kd4 s ILE 401 CO 0.03 0.40 0.96 -0.94 0.00 0.00 0.00 174.94 175.39 3kd4 s SER 402 N 1.41 6.84 0.63 3.58 1.04 -1.26 0.06 113.70 126.01 3kd4 s SER 402 Ca 0.03 1.65 0.40 0.00 0.48 0.00 0.00 55.95 58.52 3kd4 s SER 402 Cb -0.14 -2.53 2.13 0.00 0.10 0.00 0.00 66.02 65.58 3kd4 s SER 402 CO -0.11 -0.43 2.27 0.00 0.98 0.00 0.00 173.24 175.96 3kd4 h ALA 403 N 1.62 1.06 -0.20 5.32 0.00 -1.92 -2.27 119.26 122.87 3kd4 h ALA 403 Ca -0.48 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.46 3kd4 h ALA 403 Cb 1.18 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 3kd4 h ALA 403 CO 0.61 0.01 -0.49 0.38 0.00 0.00 0.00 179.25 179.76 3kd4 h ASP 404 N 0.00 -1.58 0.48 0.00 -0.00 -2.02 -3.03 116.42 110.27 3kd4 h ASP 404 Ca -0.00 0.20 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 3kd4 h ASP 404 Cb 0.12 0.64 0.00 0.00 -0.00 0.00 0.00 39.33 40.09 3kd4 h ASP 404 CO 0.00 -0.44 0.00 1.56 -0.00 0.00 0.00 179.24 180.36 3kd4 h GLN 405 N -0.50 0.00 -4.77 4.15 4.20 -1.80 -3.34 115.11 113.05 3kd4 h GLN 405 Ca 0.07 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.35 3kd4 h GLN 405 Cb 0.65 0.00 0.11 0.00 0.30 0.00 0.00 27.48 28.53 3kd4 h GLN 405 CO -0.46 0.00 1.23 0.00 -0.67 0.00 0.00 178.83 178.93 3kd4 n ALA 406 N -1.99 0.82 -1.20 3.87 0.00 -1.15 -4.52 120.51 116.34 3kd4 n ALA 406 Ca -0.01 -1.97 -0.09 0.00 0.00 0.00 0.00 53.44 51.37 3kd4 n ALA 406 Cb 0.17 -3.27 -0.06 0.00 0.00 0.00 0.00 19.45 16.30 3kd4 n ALA 406 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kd4 n LYS 407 N 7.08 0.04 -2.72 0.00 4.01 -0.50 -3.84 118.16 122.22 3kd4 n LYS 407 Ca 0.34 -0.79 -0.06 0.00 -0.51 0.00 0.00 58.31 57.28 3kd4 n LYS 407 Cb 0.32 -2.36 0.01 0.00 -0.51 0.00 0.00 35.03 32.49 3kd4 n LYS 407 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kd4 n ASP 408 N 11.31 -7.46 0.00 4.39 8.00 -1.26 -3.91 116.55 127.62 3kd4 n ASP 408 Ca 0.21 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.30 3kd4 n ASP 408 Cb 0.46 -5.03 0.00 0.00 -0.02 0.00 0.00 41.12 36.54 3kd4 n ASP 408 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kd4 n GLY 409 N -0.21 2.97 3.07 0.44 0.00 -1.25 -5.01 105.19 105.21 3kd4 n GLY 409 Ca 0.10 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 3kd4 n GLY 409 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kd4 s PHE 410 N -0.65 0.78 -0.19 1.61 0.08 -1.25 -1.93 117.98 116.44 3kd4 s PHE 410 Ca 0.00 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.64 3kd4 s PHE 410 Cb 0.00 -0.46 0.02 0.00 -0.57 0.00 0.00 43.02 42.01 3kd4 s PHE 410 CO 0.00 -0.04 -0.19 0.00 -0.10 0.00 0.00 175.22 174.89 3kd4 s ALA 411 N -1.13 2.35 -0.41 5.36 0.00 0.42 -1.41 121.76 126.94 3kd4 s ALA 411 Ca -0.06 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 3kd4 s ALA 411 Cb -0.09 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.83 3kd4 s ALA 411 CO 0.01 -0.42 0.61 0.42 0.00 0.00 0.00 175.76 176.38 3kd4 s ILE 412 N 1.28 4.89 -0.39 0.00 1.01 -1.26 -1.29 121.20 125.43 3kd4 s ILE 412 Ca 0.04 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 3kd4 s ILE 412 Cb -0.14 -4.13 0.05 0.00 0.01 0.00 0.00 42.46 38.25 3kd4 s ILE 412 CO -0.12 -0.47 0.23 0.00 0.00 0.00 0.00 174.94 174.57 3kd4 s VAL 414 N 1.51 4.74 0.11 0.00 1.01 -1.26 -0.57 120.40 125.93 3kd4 s VAL 414 Ca 0.02 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 62.37 3kd4 s VAL 414 Cb -0.21 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 3kd4 s VAL 414 CO 0.05 -0.50 1.55 -0.76 0.00 0.00 0.00 175.10 175.44 3kd4 s LEU 415 N 3.08 4.36 0.33 3.92 1.43 0.66 -4.95 118.68 127.51 3kd4 s LEU 415 Ca 0.30 2.47 -0.29 0.00 -1.03 0.00 0.00 54.13 55.58 3kd4 s LEU 415 Cb -0.13 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 3kd4 s LEU 415 CO 0.18 -0.80 1.32 -2.16 0.23 0.00 0.00 176.35 175.12 3kd4 s PRO 416 N 1.74 4.34 0.52 1.29 0.04 -1.26 -4.90 135.00 136.77 3kd4 s PRO 416 Ca 0.70 2.24 -0.21 0.00 0.04 0.00 0.00 61.00 63.77 3kd4 s PRO 416 Cb -0.40 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.01 3kd4 s PRO 416 CO 0.31 -0.22 1.15 0.00 0.04 0.00 0.00 177.00 178.28 3kd4 s ALA 417 N -1.07 2.79 0.63 8.56 0.00 -1.26 -5.05 121.76 126.36 3kd4 s ALA 417 Ca 0.50 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 53.27 3kd4 s ALA 417 Cb -0.40 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.37 3kd4 s ALA 417 CO 0.53 -0.75 0.94 0.96 0.00 0.00 0.00 175.76 177.44 3kd4 s ILE 418 N -1.68 3.27 -0.24 0.00 -4.36 -1.26 -5.05 121.20 111.88 3kd4 s ILE 418 Ca 0.70 -0.04 -0.04 0.00 -0.26 0.00 0.00 60.65 61.01 3kd4 s ILE 418 Cb -0.26 -3.33 -0.18 0.00 1.25 0.00 0.00 42.46 39.94 3kd4 s ILE 418 CO 0.30 -0.35 -0.14 -1.54 0.24 0.00 0.00 174.94 173.45 3kd4 n SER 419 N -2.70 1.99 -4.75 4.36 3.41 -1.26 -4.75 113.62 109.91 3kd4 n SER 419 Ca 0.06 0.05 -0.35 0.00 -0.26 0.00 0.00 58.87 58.36 3kd4 n SER 419 Cb 0.58 -0.60 0.04 0.00 -0.26 0.00 0.00 64.21 63.97 3kd4 n SER 419 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kd4 s ALA 420 N -2.52 2.49 0.00 7.33 0.00 -1.26 -2.95 121.76 124.85 3kd4 s ALA 420 Ca -0.34 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3kd4 s ALA 420 Cb 0.10 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3kd4 s ALA 420 CO 0.60 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3kd4 n GLY 421 N 0.32 0.13 0.35 0.00 0.00 -1.26 -4.12 105.19 100.60 3kd4 n GLY 421 Ca 0.13 -1.21 0.10 0.00 0.00 0.00 0.00 46.02 45.04 3kd4 n GLY 421 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kd4 h ILE 422 N 0.00 0.94 0.00 -0.61 2.04 -1.97 0.40 117.51 118.30 3kd4 h ILE 422 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kd4 h ILE 422 Cb 0.00 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3kd4 h ILE 422 CO 0.00 0.09 0.00 0.44 0.00 0.00 0.00 178.15 178.68 3kd4 h ASP 423 N 0.52 0.00 0.01 1.72 3.32 -1.79 0.40 116.42 120.59 3kd4 h ASP 423 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3kd4 h ASP 423 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3kd4 h ASP 423 CO -0.09 0.00 -0.15 -1.54 -1.72 0.00 0.00 179.24 175.74 3kd4 n SER 424 N -2.65 2.18 0.00 6.45 3.41 0.13 -4.43 113.62 118.71 3kd4 n SER 424 Ca -0.01 -1.63 0.12 0.00 -0.26 0.00 0.00 58.87 57.09 3kd4 n SER 424 Cb 0.13 0.14 0.63 0.00 -0.26 0.00 0.00 64.21 64.85 3kd4 n SER 424 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kd4 n TRP 425 N 0.50 0.00 -1.87 7.33 8.01 0.13 -5.04 117.44 126.49 3kd4 n TRP 425 Ca 0.14 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.31 3kd4 n TRP 425 Cb 0.48 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.51 3kd4 n TRP 425 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kd4 n GLY 426 N 0.81 -1.56 0.00 6.99 0.00 -1.26 -5.11 105.19 105.06 3kd4 n GLY 426 Ca 0.12 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3kd4 n GLY 426 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kd4 n SER 428 N -0.26 0.00 -3.20 1.61 3.41 -1.26 -4.96 113.62 108.96 3kd4 n SER 428 Ca 0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.40 3kd4 n SER 428 Cb 0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 3kd4 n SER 428 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kd4 n ALA 429 N -1.17 3.07 -2.69 7.33 0.00 -1.26 -4.91 120.51 120.87 3kd4 n ALA 429 Ca 0.00 -3.93 -0.42 0.00 0.00 0.00 0.00 53.44 49.09 3kd4 n ALA 429 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 3kd4 n ALA 429 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kd4 s LEU 430 N -2.16 4.35 0.79 0.00 1.43 -1.26 -5.01 118.68 116.81 3kd4 s LEU 430 Ca 0.40 1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 55.01 3kd4 s LEU 430 Cb 0.23 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.90 3kd4 s LEU 430 CO -0.08 -0.30 0.79 0.59 0.23 0.00 0.00 176.35 177.58 3kd4 n ASN 431 N 4.07 -0.38 0.12 2.29 4.13 -1.26 -4.90 115.26 119.33 3kd4 n ASN 431 Ca 0.07 0.56 -0.00 0.00 1.68 0.00 0.00 54.58 56.88 3kd4 n ASN 431 Cb 0.50 -1.34 0.03 0.00 -1.54 0.00 0.00 39.78 37.44 3kd4 n ASN 431 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3kd4 h SER 432 N -0.71 0.00 -3.20 6.41 4.64 -2.03 -3.45 113.55 115.20 3kd4 h SER 432 Ca -0.46 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.22 3kd4 h SER 432 Cb 1.32 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.32 3kd4 h SER 432 CO 0.43 0.65 -0.61 -0.54 -0.87 0.00 0.00 176.83 175.89 3kd4 s LYS 433 N -3.00 2.85 -0.17 4.77 3.01 -1.26 -4.89 119.74 121.05 3kd4 s LYS 433 Ca 0.02 -0.70 -0.11 0.00 -1.01 0.00 0.00 55.97 54.17 3kd4 s LYS 433 Cb 0.09 -2.71 0.05 0.00 -1.01 0.00 0.00 37.83 34.25 3kd4 s LYS 433 CO 0.76 0.57 0.42 0.50 0.51 0.00 0.00 175.35 178.11 3kd4 s ARG 434 N -2.35 0.44 -0.16 1.68 6.06 -1.26 -5.04 118.95 118.30 3kd4 s ARG 434 Ca 0.29 0.73 0.14 0.00 -2.50 0.00 0.00 55.73 54.39 3kd4 s ARG 434 Cb -0.12 0.07 -0.20 0.00 0.06 0.00 0.00 34.95 34.76 3kd4 s ARG 434 CO 0.21 -0.12 0.05 0.43 -2.50 0.00 0.00 175.30 173.36 3kd4 n SER 435 N 3.79 1.03 -4.79 -2.12 7.64 -1.26 -4.77 113.62 113.14 3kd4 n SER 435 Ca -0.20 -0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.46 3kd4 n SER 435 Cb 0.56 0.85 -0.05 0.00 -1.01 0.00 0.00 64.21 64.56 3kd4 n SER 435 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kd4 s ASN 436 N -5.06 5.11 0.45 6.43 -0.87 -1.26 -4.82 114.94 114.92 3kd4 s ASN 436 Ca -0.09 -0.52 -0.23 0.00 -1.57 0.00 0.00 52.86 50.46 3kd4 s ASN 436 Cb 0.05 -1.01 -0.11 0.00 -0.02 0.00 0.00 41.25 40.17 3kd4 s ASN 436 CO 0.66 -0.22 0.78 0.18 -2.57 0.00 0.00 177.10 175.93 3kd4 n LEU 437 N -1.22 1.49 -4.36 0.60 4.77 -1.26 -4.53 117.00 112.49 3kd4 n LEU 437 Ca -0.04 0.94 -0.33 0.00 -0.03 0.00 0.00 56.01 56.55 3kd4 n LEU 437 Cb 0.60 -1.24 -0.14 0.00 -2.33 0.00 0.00 43.42 40.30 3kd4 n LEU 437 CO 0.42 -2.21 -0.45 0.12 -1.33 0.00 0.00 177.39 173.95 3kd4 s PHE 438 N -1.40 2.81 -0.04 -1.77 5.36 -0.16 -4.17 117.98 118.61 3kd4 s PHE 438 Ca 0.65 -0.68 0.03 0.00 -0.96 0.00 0.00 56.93 55.96 3kd4 s PHE 438 Cb -0.56 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.28 3kd4 s PHE 438 CO 0.56 -0.24 -0.12 -2.00 -1.46 0.00 0.00 175.22 171.96 3kd4 s GLU 439 N 0.41 1.34 0.17 10.12 2.12 0.03 -0.05 118.70 132.84 3kd4 s GLU 439 Ca -0.10 -0.42 -0.05 0.00 0.36 0.00 0.00 54.97 54.75 3kd4 s GLU 439 Cb -0.16 -1.19 -0.06 0.00 0.26 0.00 0.00 34.13 32.98 3kd4 s GLU 439 CO 0.05 0.14 0.42 -0.51 -0.54 0.00 0.00 175.26 174.83 3kd4 s LEU 440 N 0.22 4.23 0.46 2.70 1.43 0.06 -4.78 118.68 123.00 3kd4 s LEU 440 Ca -0.05 0.65 0.14 0.00 -1.03 0.00 0.00 54.13 53.84 3kd4 s LEU 440 Cb -0.11 -3.39 1.10 0.00 0.03 0.00 0.00 46.19 43.82 3kd4 s LEU 440 CO 0.01 0.01 2.05 -0.65 0.23 0.00 0.00 176.35 178.00 3kd4 h PRO 441 N 2.65 0.28 -2.45 1.29 0.11 -1.96 -3.46 132.00 128.47 3kd4 h PRO 441 Ca -0.46 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.75 3kd4 h PRO 441 Cb 1.17 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.10 3kd4 h PRO 441 CO 0.71 0.18 0.43 -1.54 -0.21 0.00 0.00 178.00 177.58 3kd4 s SER 442 N -6.59 -0.31 0.72 -2.05 1.04 -1.26 -4.49 113.70 100.76 3kd4 s SER 442 Ca -0.07 -0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.04 3kd4 s SER 442 Cb 0.18 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.81 3kd4 s SER 442 CO 0.72 -0.82 1.11 -0.76 0.98 0.00 0.00 173.24 174.47 3kd4 s LEU 443 N -2.72 3.21 -0.07 2.42 1.43 -1.26 -4.95 118.68 116.75 3kd4 s LEU 443 Ca 0.08 1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 54.91 3kd4 s LEU 443 Cb -0.01 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.71 3kd4 s LEU 443 CO -0.04 -1.93 0.53 -0.51 0.23 0.00 0.00 176.35 174.63 3kd4 s ILE 444 N -2.56 0.02 -0.04 -0.59 2.07 -0.99 -1.57 121.20 117.55 3kd4 s ILE 444 Ca 0.65 -0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 59.71 3kd4 s ILE 444 Cb -0.20 -0.82 0.03 0.00 0.13 0.00 0.00 42.46 41.60 3kd4 s ILE 444 CO 0.48 -0.09 0.04 0.00 -1.91 0.00 0.00 174.94 173.46 3kd4 s ARG 445 N -0.97 0.11 0.05 3.50 1.04 -0.16 -1.16 118.95 121.35 3kd4 s ARG 445 Ca -0.10 0.25 0.05 0.00 -1.04 0.00 0.00 55.73 54.89 3kd4 s ARG 445 Cb -0.03 -0.54 -0.02 0.00 -2.04 0.00 0.00 34.95 32.32 3kd4 s ARG 445 CO 0.06 -0.27 -0.14 -1.21 -0.04 0.00 0.00 175.30 173.70 3kd4 s GLU 446 N 1.76 0.92 -0.05 3.89 2.02 0.85 -1.01 118.70 127.08 3kd4 s GLU 446 Ca 0.00 -0.81 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 3kd4 s GLU 446 Cb -0.12 -0.94 0.03 0.00 0.10 0.00 0.00 34.13 33.20 3kd4 s GLU 446 CO -0.03 0.23 -0.00 -2.00 0.02 0.00 0.00 175.26 173.47 3kd4 s GLU 447 N -1.28 0.50 -0.14 1.61 2.12 -0.19 -1.54 118.70 119.78 3kd4 s GLU 447 Ca 0.01 0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.43 3kd4 s GLU 447 Cb -0.08 -0.75 0.01 0.00 0.26 0.00 0.00 34.13 33.57 3kd4 s GLU 447 CO 0.02 -0.20 -0.19 0.08 -0.54 0.00 0.00 175.26 174.43 3kd4 s VAL 448 N 1.46 1.82 -0.23 3.70 1.01 -0.08 -1.15 120.40 126.93 3kd4 s VAL 448 Ca -0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3kd4 s VAL 448 Cb -0.13 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 3kd4 s VAL 448 CO -0.03 0.50 0.01 -0.89 0.00 0.00 0.00 175.10 174.69 3kd4 s THR 449 N 1.02 3.83 -0.15 3.92 2.01 0.02 -1.19 115.64 125.09 3kd4 s THR 449 Ca -0.04 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 3kd4 s THR 449 Cb -0.15 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 3kd4 s THR 449 CO -0.04 0.39 0.05 -0.31 -0.69 0.00 0.00 174.62 174.02 3kd4 s TYR 450 N 1.42 3.24 -0.30 4.92 1.51 0.41 -0.96 117.35 127.59 3kd4 s TYR 450 Ca 0.05 0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.17 3kd4 s TYR 450 Cb -0.15 -1.99 0.04 0.00 -0.11 0.00 0.00 41.96 39.75 3kd4 s TYR 450 CO 0.00 0.25 0.02 0.99 -1.11 0.00 0.00 175.55 175.71 3kd4 s THR 451 N -0.03 3.29 -0.21 -0.71 2.01 0.04 -0.79 115.64 119.24 3kd4 s THR 451 Ca 0.05 -1.13 -0.05 0.00 0.31 0.00 0.00 61.69 60.87 3kd4 s THR 451 Cb -0.12 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 3kd4 s THR 451 CO 0.01 -0.02 0.01 -0.69 -0.69 0.00 0.00 174.62 173.25 3kd4 s VAL 452 N 1.34 4.03 -0.46 3.82 1.01 0.15 -0.33 120.40 129.96 3kd4 s VAL 452 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 3kd4 s VAL 452 Cb -0.19 -2.83 0.12 0.00 0.00 0.00 0.00 36.38 33.48 3kd4 s VAL 452 CO -0.00 0.41 0.33 -0.89 0.00 0.00 0.00 175.10 174.95 3kd4 s THR 453 N 1.10 4.12 0.52 3.92 2.01 0.19 -0.33 115.64 127.18 3kd4 s THR 453 Ca 0.03 -1.80 -0.18 0.00 0.31 0.00 0.00 61.69 60.05 3kd4 s THR 453 Cb -0.14 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 3kd4 s THR 453 CO 0.02 -0.76 1.04 -2.84 -0.69 0.00 0.00 174.62 171.39 3kd4 s PRO 454 N 1.34 3.65 0.42 4.92 0.02 -1.26 -1.43 135.00 142.67 3kd4 s PRO 454 Ca 0.06 1.27 -0.25 0.00 0.02 0.00 0.00 61.00 62.09 3kd4 s PRO 454 Cb -0.26 -2.08 -0.10 0.00 0.02 0.00 0.00 34.50 32.09 3kd4 s PRO 454 CO -0.01 -0.54 1.23 0.00 -0.33 0.00 0.00 177.00 177.35 3kd4 n ALA 455 N -1.38 1.12 -1.60 -1.55 0.00 0.11 -4.86 120.51 112.35 3kd4 n ALA 455 Ca 0.09 0.25 -0.46 0.00 0.00 0.00 0.00 53.44 53.32 3kd4 n ALA 455 Cb 0.53 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 3kd4 n ALA 455 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kd4 n GLU 456 N 0.02 1.40 -0.67 0.00 1.02 -1.26 -4.90 120.64 116.25 3kd4 n GLU 456 Ca 0.07 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 3kd4 n GLU 456 Cb 0.40 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3kd4 n GLU 456 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kd4 n GLY 457 N 1.62 0.21 3.64 0.62 0.00 -1.26 -4.95 105.19 105.07 3kd4 n GLY 457 Ca 0.12 -0.46 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 3kd4 n GLY 457 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kd4 s LYS 459 N -1.76 0.66 -0.20 1.61 2.47 0.13 -4.71 119.74 117.95 3kd4 s LYS 459 Ca 0.00 1.10 -0.29 0.00 -1.56 0.00 0.00 55.97 55.22 3kd4 s LYS 459 Cb 0.00 0.15 -0.02 0.00 -1.46 0.00 0.00 37.83 36.51 3kd4 s LYS 459 CO 0.00 -0.13 1.37 -1.17 0.16 0.00 0.00 175.35 175.57 3kd4 s LEU 460 N 1.46 4.08 -0.06 5.43 2.96 -1.26 -0.47 118.68 130.82 3kd4 s LEU 460 Ca -0.09 1.61 0.15 0.00 -0.22 0.00 0.00 54.13 55.59 3kd4 s LEU 460 Cb -0.05 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.89 3kd4 s LEU 460 CO -0.17 -0.93 0.55 0.00 -1.32 0.00 0.00 176.35 174.48 3kd4 n GLN 461 N 7.00 0.64 -1.72 1.98 1.13 0.21 -4.90 117.38 121.73 3kd4 n GLN 461 Ca 0.15 0.19 -0.43 0.00 -1.94 0.00 0.00 57.00 54.98 3kd4 n GLN 461 Cb 0.45 -1.72 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 3kd4 n GLN 461 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3kd4 n THR 462 N -2.91 1.17 -1.71 5.09 -1.04 -1.12 -4.95 114.28 108.81 3kd4 n THR 462 Ca -0.19 -0.29 -0.41 0.00 -2.04 0.00 0.00 64.05 61.12 3kd4 n THR 462 Cb 1.01 -1.80 0.01 0.00 -1.82 0.00 0.00 70.33 67.73 3kd4 n THR 462 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3kd4 n SER 463 N 1.89 2.72 -0.58 8.00 2.88 -1.26 -4.94 113.62 122.33 3kd4 n SER 463 Ca 0.08 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.86 3kd4 n SER 463 Cb 0.35 -1.52 0.40 0.00 -0.75 0.00 0.00 64.21 62.69 3kd4 n SER 463 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kd4 n THR 464 N -0.16 0.16 -2.09 2.46 -2.24 -1.26 -4.91 114.28 106.24 3kd4 n THR 464 Ca 0.06 -0.35 -0.39 0.00 -2.27 0.00 0.00 64.05 61.10 3kd4 n THR 464 Cb 0.40 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.10 3kd4 n THR 464 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3kd4 s GLN 465 N -1.84 3.98 0.35 -0.78 0.74 -1.26 -4.23 119.66 116.62 3kd4 s GLN 465 Ca 0.34 2.11 -0.28 0.00 0.05 0.00 0.00 55.36 57.58 3kd4 s GLN 465 Cb 0.19 -2.75 -0.09 0.00 1.10 0.00 0.00 33.01 31.45 3kd4 s GLN 465 CO 0.29 -0.46 1.23 -2.00 -0.55 0.00 0.00 175.29 173.80 3kd4 s GLU 466 N -2.24 4.27 -0.21 1.67 2.12 -1.26 -4.73 118.70 118.33 3kd4 s GLU 466 Ca 0.57 2.04 -0.04 0.00 0.36 0.00 0.00 54.97 57.89 3kd4 s GLU 466 Cb -0.37 -2.95 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 3kd4 s GLU 466 CO 0.47 -0.19 -0.03 -0.65 -0.54 0.00 0.00 175.26 174.32 3kd4 s GLN 467 N -1.92 3.48 -0.02 4.30 -0.21 -0.45 -4.99 119.66 119.86 3kd4 s GLN 467 Ca 0.51 -0.58 0.03 0.00 0.02 0.00 0.00 55.36 55.34 3kd4 s GLN 467 Cb -0.36 -3.02 -0.00 0.00 1.00 0.00 0.00 33.01 30.63 3kd4 s GLN 467 CO 0.47 -0.08 -0.11 0.08 -2.12 0.00 0.00 175.29 173.53 3kd4 s VAL 468 N 1.19 0.89 -0.07 1.09 1.01 -1.26 -0.55 120.40 122.71 3kd4 s VAL 468 Ca 0.03 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3kd4 s VAL 468 Cb -0.14 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3kd4 s VAL 468 CO -0.00 0.26 -0.11 -0.51 0.00 0.00 0.00 175.10 174.74 3kd4 s ILE 469 N -0.11 1.08 -0.08 2.22 2.07 -0.29 -5.01 121.20 121.06 3kd4 s ILE 469 Ca 0.02 -0.42 0.01 0.00 -1.41 0.00 0.00 60.65 58.84 3kd4 s ILE 469 Cb -0.06 -1.01 0.02 0.00 0.13 0.00 0.00 42.46 41.54 3kd4 s ILE 469 CO -0.00 0.35 -0.10 -0.55 -1.91 0.00 0.00 174.94 172.73 3kd4 s SER 470 N 0.84 1.88 0.32 4.50 0.15 -1.26 -1.31 113.70 118.82 3kd4 s SER 470 Ca -0.11 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.28 3kd4 s SER 470 Cb -0.15 -0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 63.31 3kd4 s SER 470 CO 0.02 -0.04 0.13 -0.54 1.20 0.00 0.00 173.24 174.00 3kd4 s LYS 471 N 1.12 1.63 0.50 5.44 -0.14 -0.13 -5.01 119.74 123.15 3kd4 s LYS 471 Ca -0.06 -1.93 0.15 0.00 -1.36 0.00 0.00 55.97 52.76 3kd4 s LYS 471 Cb -0.14 -0.35 1.19 0.00 -1.68 0.00 0.00 37.83 36.84 3kd4 s LYS 471 CO -0.02 -0.38 2.12 -1.35 -0.76 0.00 0.00 175.35 174.96 3kd4 h PRO 472 N 2.15 0.06 -0.03 -1.68 0.11 -2.00 -3.00 132.00 127.62 3kd4 h PRO 472 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3kd4 h PRO 472 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kd4 h PRO 472 CO 0.57 0.06 0.00 1.19 -0.21 0.00 0.00 178.00 179.62 3kd4 n PHE 473 N -4.51 0.09 -3.47 0.65 3.72 -1.26 -5.04 117.46 107.63 3kd4 n PHE 473 Ca -0.02 -0.93 0.00 0.00 -0.05 0.00 0.00 57.45 56.45 3kd4 n PHE 473 Cb 0.10 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 3kd4 n PHE 473 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kd4 n GLY 474 N -1.23 -1.27 3.60 1.37 0.00 -1.13 -0.78 105.19 105.74 3kd4 n GLY 474 Ca 0.15 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3kd4 n GLY 474 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kd4 s LYS 475 N -0.95 0.71 -0.04 1.61 2.20 -0.76 -0.95 119.74 121.56 3kd4 s LYS 475 Ca 0.00 0.51 0.03 0.00 -0.36 0.00 0.00 55.97 56.15 3kd4 s LYS 475 Cb 0.00 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 3kd4 s LYS 475 CO 0.00 -0.15 -0.13 0.08 -0.36 0.00 0.00 175.35 174.78 3kd4 s VAL 476 N -0.35 1.14 0.08 4.02 1.01 -0.43 -1.30 120.40 124.57 3kd4 s VAL 476 Ca -0.02 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3kd4 s VAL 476 Cb -0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3kd4 s VAL 476 CO 0.01 0.34 -0.11 0.42 0.00 0.00 0.00 175.10 175.76 3kd4 s THR 477 N 0.17 0.95 -0.05 3.92 -4.23 -0.68 -1.14 115.64 114.59 3kd4 s THR 477 Ca -0.05 -1.46 -0.00 0.00 -1.18 0.00 0.00 61.69 59.00 3kd4 s THR 477 Cb -0.11 -1.17 0.03 0.00 1.34 0.00 0.00 72.50 72.59 3kd4 s THR 477 CO 0.02 -0.43 0.00 -0.60 -0.54 0.00 0.00 174.62 173.07 3kd4 s ARG 478 N -2.29 0.44 0.03 3.99 3.52 0.29 -1.37 118.95 123.56 3kd4 s ARG 478 Ca 0.01 0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.78 3kd4 s ARG 478 Cb -0.06 -0.70 -0.03 0.00 -1.56 0.00 0.00 34.95 32.60 3kd4 s ARG 478 CO 0.01 -0.20 -0.22 0.95 -0.81 0.00 0.00 175.30 175.02 3kd4 s THR 479 N 1.44 2.45 -0.13 4.11 -4.23 -0.10 -1.34 115.64 117.84 3kd4 s THR 479 Ca -0.04 -1.25 -0.00 0.00 -1.18 0.00 0.00 61.69 59.22 3kd4 s THR 479 Cb -0.13 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.76 3kd4 s THR 479 CO -0.03 0.38 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.73 3kd4 s ILE 480 N -0.84 1.11 -0.22 2.99 1.01 -1.26 -0.97 121.20 123.01 3kd4 s ILE 480 Ca 0.13 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 3kd4 s ILE 480 Cb -0.10 -1.16 0.06 0.00 0.01 0.00 0.00 42.46 41.27 3kd4 s ILE 480 CO 0.03 0.31 0.01 -0.89 0.00 0.00 0.00 174.94 174.40 3kd4 s THR 481 N 1.66 0.96 0.25 2.92 2.01 -0.15 -4.74 115.64 118.55 3kd4 s THR 481 Ca 0.04 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 3kd4 s THR 481 Cb -0.13 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 70.87 3kd4 s THR 481 CO -0.08 -0.22 1.35 -2.84 -0.69 0.00 0.00 174.62 172.13 3kd4 s PRO 482 N 1.65 4.35 -0.31 4.92 0.02 -1.26 -0.88 135.00 143.48 3kd4 s PRO 482 Ca -0.02 2.17 -0.02 0.00 0.02 0.00 0.00 61.00 63.15 3kd4 s PRO 482 Cb -0.18 -3.14 0.11 0.00 0.02 0.00 0.00 34.50 31.32 3kd4 s PRO 482 CO -0.09 -0.28 0.16 1.03 -0.33 0.00 0.00 177.00 177.49 3kd4 s ARG 483 N -0.60 0.34 7.99 5.54 0.52 0.59 -4.92 118.95 128.41 3kd4 s ARG 483 Ca 0.56 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 3kd4 s ARG 483 Cb -0.39 -1.24 0.00 0.00 0.52 0.00 0.00 34.95 33.84 3kd4 s ARG 483 CO 0.43 -1.09 0.00 0.41 0.02 0.00 0.00 175.30 175.07 3kd4 n GLY 484 N 4.79 3.61 1.20 -3.53 0.00 -1.26 -2.00 105.19 107.99 3kd4 n GLY 484 Ca 0.01 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.98 3kd4 n GLY 484 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kd4 n ASN 485 N 8.96 3.80 -4.48 1.61 0.23 -1.26 -4.93 115.26 119.19 3kd4 n ASN 485 Ca 0.00 -3.23 -0.24 0.00 -0.53 0.00 0.00 54.58 50.59 3kd4 n ASN 485 Cb 0.00 -0.61 -0.10 0.00 -2.08 0.00 0.00 39.78 36.99 3kd4 n ASN 485 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3kd4 s THR 486 N -2.96 2.02 -0.12 5.53 -4.23 -0.85 -4.20 115.64 110.84 3kd4 s THR 486 Ca 0.46 -2.20 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 3kd4 s THR 486 Cb 0.38 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.74 3kd4 s THR 486 CO 0.08 -0.29 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.03 3kd4 s ILE 487 N -2.77 1.94 -0.23 2.99 1.01 0.55 -0.30 121.20 124.40 3kd4 s ILE 487 Ca 0.30 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 3kd4 s ILE 487 Cb 0.02 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3kd4 s ILE 487 CO 0.14 0.53 0.47 -0.70 0.00 0.00 0.00 174.94 175.37 3kd4 s GLU 488 N 0.73 4.13 -0.19 2.79 2.12 -0.06 -0.68 118.70 127.54 3kd4 s GLU 488 Ca -0.10 0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.49 3kd4 s GLU 488 Cb -0.16 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 3kd4 s GLU 488 CO 0.01 -0.19 -0.08 0.08 -0.54 0.00 0.00 175.26 174.54 3kd4 s VAL 489 N 1.78 3.15 -0.20 3.70 1.01 0.02 -0.97 120.40 128.90 3kd4 s VAL 489 Ca 0.21 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3kd4 s VAL 489 Cb -0.15 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 3kd4 s VAL 489 CO 0.09 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 3kd4 s VAL 490 N 1.16 2.96 -0.16 2.92 1.01 -0.15 -0.45 120.40 127.70 3kd4 s VAL 490 Ca 0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3kd4 s VAL 490 Cb -0.14 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3kd4 s VAL 490 CO -0.02 0.47 -0.07 -0.13 0.00 0.00 0.00 175.10 175.35 3kd4 s ARG 491 N 1.25 3.52 0.13 2.72 0.52 -0.34 -0.92 118.95 125.84 3kd4 s ARG 491 Ca 0.03 -0.59 0.08 0.00 -0.52 0.00 0.00 55.73 54.72 3kd4 s ARG 491 Cb -0.14 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3kd4 s ARG 491 CO -0.04 0.14 -0.18 0.95 0.02 0.00 0.00 175.30 176.19 3kd4 s THR 492 N 0.59 1.65 -0.07 0.02 -4.23 -0.47 -0.90 115.64 112.23 3kd4 s THR 492 Ca -0.04 -1.72 -0.06 0.00 -1.18 0.00 0.00 61.69 58.68 3kd4 s THR 492 Cb -0.15 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 72.07 3kd4 s THR 492 CO 0.03 -0.25 0.19 -0.51 -0.54 0.00 0.00 174.62 173.54 3kd4 s ILE 493 N -1.74 -0.01 -0.04 2.99 2.07 -0.59 -1.68 121.20 122.21 3kd4 s ILE 493 Ca 0.10 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.39 3kd4 s ILE 493 Cb -0.07 -0.27 0.00 0.00 0.13 0.00 0.00 42.46 42.25 3kd4 s ILE 493 CO 0.05 0.01 -0.11 -1.83 -1.91 0.00 0.00 174.94 171.15 3kd4 s GLU 494 N 0.26 1.21 -0.16 3.50 -1.05 -0.42 -0.10 118.70 121.94 3kd4 s GLU 494 Ca -0.01 -0.37 0.01 0.00 -0.15 0.00 0.00 54.97 54.44 3kd4 s GLU 494 Cb -0.03 -1.09 0.02 0.00 -0.44 0.00 0.00 34.13 32.59 3kd4 s GLU 494 CO -0.01 0.12 -0.16 -0.51 0.95 0.00 0.00 175.26 175.65 3kd4 s LEU 495 N 0.26 1.81 -0.05 1.83 1.43 -0.31 -1.82 118.68 121.83 3kd4 s LEU 495 Ca -0.05 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.61 3kd4 s LEU 495 Cb -0.10 -1.26 0.24 0.00 0.03 0.00 0.00 46.19 45.10 3kd4 s LEU 495 CO 0.01 -0.04 1.19 0.59 0.23 0.00 0.00 176.35 178.33 3kd4 n ASN 496 N 4.70 2.71 -3.87 2.29 3.02 0.04 -2.34 115.26 121.81 3kd4 n ASN 496 Ca -0.18 -2.33 -0.11 0.00 -0.03 0.00 0.00 54.58 51.92 3kd4 n ASN 496 Cb 0.50 -0.24 -0.11 0.00 -0.61 0.00 0.00 39.78 39.32 3kd4 n ASN 496 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3kd4 s LYS 497 N -1.59 0.29 -0.16 3.52 2.20 -1.26 -5.03 119.74 117.71 3kd4 s LYS 497 Ca 0.20 -0.16 0.08 0.00 -0.36 0.00 0.00 55.97 55.74 3kd4 s LYS 497 Cb 0.14 0.12 -0.23 0.00 -1.51 0.00 0.00 37.83 36.36 3kd4 s LYS 497 CO 0.08 -0.06 0.20 1.04 -0.36 0.00 0.00 175.35 176.25 3kd4 n GLN 498 N 2.23 0.68 -5.06 4.03 6.02 -1.26 -4.85 117.38 119.17 3kd4 n GLN 498 Ca -0.18 0.15 -0.28 0.00 -0.01 0.00 0.00 57.00 56.68 3kd4 n GLN 498 Cb 0.57 -1.62 -0.16 0.00 1.02 0.00 0.00 30.24 30.05 3kd4 n GLN 498 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kd4 s GLN 499 N -2.54 1.98 -0.04 -1.09 -0.21 -1.26 -0.76 119.66 115.74 3kd4 s GLN 499 Ca -0.17 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.47 3kd4 s GLN 499 Cb 0.07 -1.78 0.01 0.00 1.00 0.00 0.00 33.01 32.31 3kd4 s GLN 499 CO 0.76 0.38 -0.10 -0.06 -2.12 0.00 0.00 175.29 174.15 3kd4 s PHE 500 N -0.27 1.14 0.80 0.91 0.40 0.93 -4.97 117.98 116.92 3kd4 s PHE 500 Ca 0.02 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 55.90 3kd4 s PHE 500 Cb -0.11 -0.82 0.07 0.00 0.51 0.00 0.00 43.02 42.67 3kd4 s PHE 500 CO 0.01 -0.16 1.10 0.95 0.70 0.00 0.00 175.22 177.82 3kd4 s THR 501 N 0.36 3.06 0.30 0.64 -4.23 -1.26 -0.98 115.64 113.52 3kd4 s THR 501 Ca -0.07 0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.83 3kd4 s THR 501 Cb -0.11 -3.06 0.29 0.00 1.34 0.00 0.00 72.50 70.96 3kd4 s THR 501 CO 0.01 -0.45 1.79 -0.65 -0.54 0.00 0.00 174.62 174.79 3kd4 h PRO 502 N -1.12 0.81 -0.84 3.99 0.11 -1.86 0.55 132.00 133.64 3kd4 h PRO 502 Ca -0.47 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.64 3kd4 h PRO 502 Cb 1.27 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3kd4 h PRO 502 CO 0.59 0.54 0.55 0.00 -0.21 0.00 0.00 178.00 179.46 3kd4 h ALA 503 N 1.61 1.52 -0.00 -0.75 0.00 -1.92 -2.01 119.26 117.71 3kd4 h ALA 503 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3kd4 h ALA 503 Cb 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kd4 h ALA 503 CO -0.35 0.38 -0.24 0.39 0.00 0.00 0.00 179.25 179.43 3kd4 n GLU 504 N -4.46 0.36 -0.12 0.00 1.02 0.06 -4.43 120.64 113.06 3kd4 n GLU 504 Ca 0.12 -0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 3kd4 n GLU 504 Cb 0.15 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 3kd4 n GLU 504 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3kd4 h TYR 505 N 0.38 1.13 -0.80 -0.32 3.20 -0.42 -2.97 116.97 117.17 3kd4 h TYR 505 Ca 0.00 -0.33 0.02 0.00 3.14 0.00 0.00 58.73 61.55 3kd4 h TYR 505 Cb 0.46 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 3kd4 h TYR 505 CO 0.00 1.17 0.52 1.03 -1.64 0.00 0.00 178.16 179.24 3kd4 h SER 506 N 0.76 0.88 -0.34 -2.11 0.87 -1.77 0.11 113.55 111.95 3kd4 h SER 506 Ca 0.06 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3kd4 h SER 506 Cb 0.97 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3kd4 h SER 506 CO 0.09 0.62 0.21 0.44 -0.53 0.00 0.00 176.83 177.67 3kd4 h ASP 507 N 1.04 0.40 0.30 6.23 3.32 -1.83 -0.20 116.42 125.69 3kd4 h ASP 507 Ca 0.31 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 3kd4 h ASP 507 Cb -0.06 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3kd4 h ASP 507 CO -0.09 0.32 -0.72 1.62 -1.72 0.00 0.00 179.24 178.66 3kd4 h VAL 508 N 0.44 1.39 -0.97 -1.35 3.04 -1.33 -3.08 116.25 114.39 3kd4 h VAL 508 Ca 0.12 -2.15 0.00 0.00 -1.01 0.00 0.00 66.70 63.66 3kd4 h VAL 508 Cb -0.01 2.12 -0.05 0.00 -2.01 0.00 0.00 31.29 31.35 3kd4 h VAL 508 CO -0.02 0.64 0.61 -0.09 -1.01 0.00 0.00 177.57 177.70 3kd4 h ARG 509 N 0.25 1.30 -0.37 4.17 2.43 -0.62 -1.65 114.38 119.88 3kd4 h ARG 509 Ca -0.03 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3kd4 h ARG 509 Cb 1.29 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3kd4 h ARG 509 CO 0.12 0.89 0.01 0.66 -1.51 0.00 0.00 179.97 180.14 3kd4 h SER 510 N 1.33 0.55 -0.04 -3.80 4.64 -0.95 -0.46 113.55 114.80 3kd4 h SER 510 Ca 0.35 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 3kd4 h SER 510 Cb -0.09 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.85 3kd4 h SER 510 CO -0.07 0.61 0.00 -0.07 -0.87 0.00 0.00 176.83 176.44 3kd4 h LEU 511 N 0.56 0.07 -0.48 5.97 3.38 -1.35 -0.40 115.31 123.06 3kd4 h LEU 511 Ca 0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3kd4 h LEU 511 Cb 0.34 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3kd4 h LEU 511 CO 0.01 0.34 0.21 0.40 0.09 0.00 0.00 178.44 179.49 3kd4 h ILE 512 N -0.20 1.20 -0.77 1.22 2.04 -1.09 -0.96 117.51 118.95 3kd4 h ILE 512 Ca 0.01 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3kd4 h ILE 512 Cb 0.30 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3kd4 h ILE 512 CO 0.00 0.23 0.40 -0.74 0.00 0.00 0.00 178.15 178.03 3kd4 h HIS 513 N 0.63 1.08 -0.45 1.37 2.76 -1.11 -0.29 115.15 119.13 3kd4 h HIS 513 Ca 0.16 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3kd4 h HIS 513 Cb 0.16 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 3kd4 h HIS 513 CO -0.00 0.78 0.24 1.49 -1.30 0.00 0.00 177.93 179.13 3kd4 h GLU 514 N 1.08 0.62 -0.16 5.26 4.57 -0.41 0.14 114.58 125.68 3kd4 h GLU 514 Ca 0.27 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.31 3kd4 h GLU 514 Cb 0.08 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3kd4 h GLU 514 CO -0.04 0.47 -0.19 2.35 -1.18 0.00 0.00 179.01 180.42 3kd4 h TRP 515 N 0.63 0.50 0.00 0.92 2.91 -0.35 -3.37 115.95 117.19 3kd4 h TRP 515 Ca 0.16 -0.16 -0.14 0.00 1.13 0.00 0.00 58.89 59.88 3kd4 h TRP 515 Cb 0.04 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.56 3kd4 h TRP 515 CO 0.00 0.81 -1.27 1.79 -1.03 0.00 0.00 178.44 178.74 3kd4 h THR 516 N 0.05 0.46 -1.40 2.65 1.35 -0.51 -3.46 112.91 112.05 3kd4 h THR 516 Ca 0.02 -1.88 -0.66 0.00 -0.55 0.00 0.00 66.41 63.35 3kd4 h THR 516 Cb 0.74 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 3kd4 h THR 516 CO 0.05 0.26 1.32 -3.20 -0.25 0.00 0.00 175.52 173.70 3kd4 n ASN 517 N -2.89 2.51 -0.13 5.36 5.15 0.44 -4.85 115.26 120.86 3kd4 n ASN 517 Ca -0.07 0.55 0.10 0.00 -0.60 0.00 0.00 54.58 54.55 3kd4 n ASN 517 Cb 0.79 -1.30 0.44 0.00 -0.53 0.00 0.00 39.78 39.18 3kd4 n ASN 517 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3kd4 h PRO 518 N 11.67 0.53 -0.40 1.20 0.11 -1.90 -0.37 132.00 142.84 3kd4 h PRO 518 Ca -0.34 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.85 3kd4 h PRO 518 Cb 1.30 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3kd4 h PRO 518 CO 0.99 0.35 0.32 -0.44 -0.21 0.00 0.00 178.00 179.01 3kd4 h ASP 519 N 0.54 0.00 0.36 -2.05 3.32 -1.98 0.13 116.42 116.74 3kd4 h ASP 519 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3kd4 h ASP 519 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3kd4 h ASP 519 CO -0.10 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.01 3kd4 n ASN 520 N -4.21 0.00 -0.81 6.45 3.02 -0.15 -2.03 115.26 117.53 3kd4 n ASN 520 Ca 0.07 0.01 0.07 0.00 -0.03 0.00 0.00 54.58 54.70 3kd4 n ASN 520 Cb 0.50 -0.28 0.20 0.00 -0.61 0.00 0.00 39.78 39.59 3kd4 n ASN 520 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kd4 n ARG 521 N -1.28 2.93 -3.40 3.52 1.74 0.44 -4.98 116.66 115.62 3kd4 n ARG 521 Ca 0.09 -2.28 -0.37 0.00 -0.77 0.00 0.00 57.85 54.51 3kd4 n ARG 521 Cb 0.15 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 3kd4 n ARG 521 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kd4 s VAL 522 N -1.32 5.23 -0.11 1.55 1.01 -0.86 -0.24 120.40 125.66 3kd4 s VAL 522 Ca 0.30 0.80 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 3kd4 s VAL 522 Cb 0.18 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3kd4 s VAL 522 CO 0.17 0.35 -0.04 -0.76 0.00 0.00 0.00 175.10 174.82 3kd4 s LEU 523 N 0.59 3.29 -0.16 3.92 1.43 0.27 -4.97 118.68 123.05 3kd4 s LEU 523 Ca 0.22 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 3kd4 s LEU 523 Cb -0.14 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3kd4 s LEU 523 CO 0.08 0.29 -0.05 -0.22 0.23 0.00 0.00 176.35 176.69 3kd4 s LEU 524 N -0.38 3.18 0.06 1.79 2.96 -1.26 0.02 118.68 125.04 3kd4 s LEU 524 Ca 0.06 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3kd4 s LEU 524 Cb -0.12 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3kd4 s LEU 524 CO 0.02 0.16 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.63 3kd4 s PHE 525 N 0.43 1.92 0.06 5.38 0.40 -0.41 0.65 117.98 126.41 3kd4 s PHE 525 Ca -0.04 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 3kd4 s PHE 525 Cb -0.14 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.22 3kd4 s PHE 525 CO 0.03 0.13 -0.04 -1.54 0.70 0.00 0.00 175.22 174.50 3kd4 s SER 526 N -1.33 4.79 0.00 1.36 1.04 0.39 -0.44 113.70 119.51 3kd4 s SER 526 Ca 0.08 -0.19 0.18 0.00 0.48 0.00 0.00 55.95 56.51 3kd4 s SER 526 Cb -0.09 -1.11 0.14 0.00 0.10 0.00 0.00 66.02 65.06 3kd4 s SER 526 CO 0.02 0.22 1.08 0.00 0.98 0.00 0.00 173.24 175.54