#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kjp s THR 2 N 0.00 5.15 0.00 7.28 2.01 -1.26 -5.01 115.64 123.81 1kjp s THR 2 Ca 0.00 0.96 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1kjp s THR 2 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1kjp s THR 2 CO 0.00 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 1kjp n GLY 3 N 3.58 1.66 3.69 4.40 0.00 -1.26 -4.79 105.19 112.47 1kjp n GLY 3 Ca -0.06 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 1kjp n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kjp s THR 4 N -2.51 5.36 0.12 2.61 2.01 -0.36 -4.84 115.64 118.04 1kjp s THR 4 Ca 0.00 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1kjp s THR 4 Cb 0.00 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.93 1kjp s THR 4 CO 0.00 0.38 1.25 -0.44 -0.69 0.00 0.00 174.62 175.12 1kjp s SER 5 N 0.76 7.01 0.17 3.53 0.01 -1.26 0.04 113.70 123.97 1kjp s SER 5 Ca 0.09 2.19 -0.00 0.00 1.31 0.00 0.00 55.95 59.54 1kjp s SER 5 Cb -0.13 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1kjp s SER 5 CO 0.02 -0.48 0.23 1.07 0.41 0.00 0.00 173.24 174.49 1kjp n THR 6 N 3.35 0.00 -4.53 1.44 5.66 -0.28 -4.92 114.28 115.00 1kjp n THR 6 Ca 0.08 -0.95 -0.25 0.00 -3.05 0.00 0.00 64.05 59.88 1kjp n THR 6 Cb 0.45 0.56 -0.17 0.00 -1.55 0.00 0.00 70.33 69.62 1kjp n THR 6 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1kjp s VAL 7 N -2.63 1.12 0.48 1.08 1.01 -1.26 -1.29 120.40 118.91 1kjp s VAL 7 Ca 0.16 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1kjp s VAL 7 Cb -0.00 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.38 1kjp s VAL 7 CO 0.11 0.35 0.33 0.61 0.00 0.00 0.00 175.10 176.50 1kjp n GLY 8 N 3.90 2.86 3.01 4.51 0.00 0.38 -4.94 105.19 114.92 1kjp n GLY 8 Ca -0.22 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.37 1kjp n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kjp s VAL 9 N -2.43 0.41 0.22 1.61 0.11 -1.04 -1.54 120.40 117.74 1kjp s VAL 9 Ca 0.25 -0.73 -0.12 0.00 -2.93 0.00 0.00 61.98 58.46 1kjp s VAL 9 Cb -0.02 -0.45 0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1kjp s VAL 9 CO 0.16 -0.22 0.59 0.61 -3.33 0.00 0.00 175.10 172.91 1kjp n GLY 10 N 2.04 1.15 3.26 6.54 0.00 -0.71 -0.03 105.19 117.44 1kjp n GLY 10 Ca -0.19 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1kjp n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kjp s ARG 11 N -2.05 2.20 0.60 1.61 0.52 -0.57 -1.26 118.95 120.00 1kjp s ARG 11 Ca 0.12 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.41 1kjp s ARG 11 Cb -0.03 -1.98 0.13 0.00 0.52 0.00 0.00 34.95 33.59 1kjp s ARG 11 CO 0.07 0.44 0.81 0.41 0.02 0.00 0.00 175.30 177.05 1kjp n GLY 12 N 2.74 -0.47 0.37 -3.53 0.00 0.16 -4.14 105.19 100.32 1kjp n GLY 12 Ca -0.17 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.12 1kjp n GLY 12 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kjp h VAL 13 N -1.09 0.89 -0.34 1.61 2.07 -1.90 -0.59 116.25 116.89 1kjp h VAL 13 Ca -0.27 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1kjp h VAL 13 Cb 0.83 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1kjp h VAL 13 CO 0.22 0.13 0.00 0.18 0.02 0.00 0.00 177.57 178.13 1kjp n LEU 14 N -4.54 1.94 0.00 2.57 4.77 -1.26 -4.91 117.00 115.57 1kjp n LEU 14 Ca 0.16 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1kjp n LEU 14 Cb 0.40 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1kjp n LEU 14 CO 0.31 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1kjp n GLY 15 N 1.01 0.55 3.82 -0.72 0.00 -0.23 -5.04 105.19 104.57 1kjp n GLY 15 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1kjp n GLY 15 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1kjp s ASP 16 N -2.05 7.01 0.03 1.61 -4.77 -1.26 -4.76 116.67 112.48 1kjp s ASP 16 Ca 0.00 1.29 -0.19 0.00 -3.30 0.00 0.00 52.55 50.34 1kjp s ASP 16 Cb 0.00 -2.37 -0.06 0.00 -1.09 0.00 0.00 42.92 39.40 1kjp s ASP 16 CO 0.00 0.13 0.56 -1.58 0.70 0.00 0.00 175.17 174.98 1kjp s GLN 17 N -1.71 4.23 0.06 2.11 0.74 -1.26 -0.67 119.66 123.17 1kjp s GLN 17 Ca 0.37 0.70 -0.13 0.00 0.05 0.00 0.00 55.36 56.35 1kjp s GLN 17 Cb -0.17 -3.28 0.02 0.00 1.10 0.00 0.00 33.01 30.67 1kjp s GLN 17 CO 0.20 0.52 0.30 -1.59 -0.55 0.00 0.00 175.29 174.18 1kjp s LYS 18 N -0.70 0.85 0.01 1.67 -2.85 -0.39 -4.98 119.74 113.35 1kjp s LYS 18 Ca 0.29 -0.60 -0.14 0.00 -1.00 0.00 0.00 55.97 54.51 1kjp s LYS 18 Cb -0.19 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 35.89 1kjp s LYS 18 CO 0.17 -0.28 0.41 -0.80 0.10 0.00 0.00 175.35 174.95 1kjp s ASN 19 N -2.30 6.80 0.03 0.03 0.01 -1.26 -1.74 114.94 116.52 1kjp s ASN 19 Ca -0.02 0.96 0.05 0.00 -0.71 0.00 0.00 52.86 53.13 1kjp s ASN 19 Cb 0.00 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 1kjp s ASN 19 CO -0.06 0.32 -0.13 0.27 -1.51 0.00 0.00 177.10 175.98 1kjp s ILE 20 N -1.10 1.06 -0.13 0.60 -4.36 -0.59 -4.98 121.20 111.70 1kjp s ILE 20 Ca 0.24 -0.92 -0.29 0.00 -0.26 0.00 0.00 60.65 59.42 1kjp s ILE 20 Cb -0.17 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.58 1kjp s ILE 20 CO 0.14 0.03 1.01 0.20 0.24 0.00 0.00 174.94 176.56 1kjp s ASN 21 N -1.01 7.22 0.40 4.36 0.01 -1.26 -0.47 114.94 124.19 1kjp s ASN 21 Ca 0.02 1.50 0.03 0.00 -0.71 0.00 0.00 52.86 53.70 1kjp s ASN 21 Cb -0.07 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 1kjp s ASN 21 CO 0.01 -0.48 0.09 0.42 -1.51 0.00 0.00 177.10 175.63 1kjp s THR 22 N 2.21 0.86 -0.05 1.60 -4.23 -0.41 -3.88 115.64 111.75 1kjp s THR 22 Ca 0.47 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 1kjp s THR 22 Cb -0.18 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1kjp s THR 22 CO 0.16 0.00 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.23 1kjp s THR 23 N -3.17 1.03 -0.20 3.99 2.01 -0.57 -1.13 115.64 117.60 1kjp s THR 23 Ca 0.25 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 1kjp s THR 23 Cb 0.04 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1kjp s THR 23 CO 0.13 0.32 0.07 -0.47 -0.69 0.00 0.00 174.62 173.98 1kjp s TYR 24 N 0.44 3.20 -0.42 4.92 5.04 0.11 -0.21 117.35 130.43 1kjp s TYR 24 Ca -0.09 -0.04 0.03 0.00 -2.44 0.00 0.00 57.07 54.53 1kjp s TYR 24 Cb -0.13 -2.13 0.19 0.00 0.35 0.00 0.00 41.96 40.24 1kjp s TYR 24 CO 0.02 0.01 0.78 0.45 -1.34 0.00 0.00 175.55 175.48 1kjp s SER 25 N 0.74 -1.17 0.00 4.32 0.15 -1.26 -1.22 113.70 115.26 1kjp s SER 25 Ca 0.04 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1kjp s SER 25 Cb -0.13 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 1kjp s SER 25 CO 0.02 -0.09 0.00 0.41 1.20 0.00 0.00 173.24 174.78 1kjp n THR 26 N 3.60 0.00 -3.89 6.45 -1.04 -1.26 -4.76 114.28 113.37 1kjp n THR 26 Ca 0.13 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.91 1kjp n THR 26 Cb 0.59 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.04 1kjp n THR 26 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1kjp s TYR 27 N 0.00 2.67 -0.24 -1.42 2.02 -1.26 -5.00 117.35 114.13 1kjp s TYR 27 Ca 0.00 -0.51 -0.09 0.00 -0.37 0.00 0.00 57.07 56.10 1kjp s TYR 27 Cb 0.00 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1kjp s TYR 27 CO 0.00 0.09 0.12 0.71 -1.57 0.00 0.00 175.55 174.90 1kjp s TYR 28 N -2.52 3.22 0.11 2.71 1.51 0.61 -4.37 117.35 118.62 1kjp s TYR 28 Ca 0.43 -0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.54 1kjp s TYR 28 Cb -0.00 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1kjp s TYR 28 CO 0.25 -0.07 0.02 0.71 -1.11 0.00 0.00 175.55 175.35 1kjp s TYR 29 N 1.19 3.00 -1.32 2.71 1.51 0.71 -0.12 117.35 125.03 1kjp s TYR 29 Ca 0.06 -0.03 -0.17 0.00 -1.01 0.00 0.00 57.07 55.92 1kjp s TYR 29 Cb -0.14 -1.52 0.08 0.00 -0.11 0.00 0.00 41.96 40.27 1kjp s TYR 29 CO 0.05 0.49 1.80 1.28 -1.11 0.00 0.00 175.55 178.06 1kjp n LEU 30 N 0.35 5.34 -3.71 -1.29 4.77 -0.51 -1.51 117.00 120.44 1kjp n LEU 30 Ca -0.10 -4.02 -0.24 0.00 -0.03 0.00 0.00 56.01 51.61 1kjp n LEU 30 Cb 0.53 -1.72 -0.17 0.00 -2.33 0.00 0.00 43.42 39.73 1kjp n LEU 30 CO 0.40 0.40 -0.36 -1.58 -1.33 0.00 0.00 177.39 174.92 1kjp s GLN 31 N 3.72 0.39 -0.42 3.23 0.74 -1.26 -2.00 119.66 124.06 1kjp s GLN 31 Ca 0.51 -0.03 -0.15 0.00 0.05 0.00 0.00 55.36 55.74 1kjp s GLN 31 Cb 0.05 -1.39 0.03 0.00 1.10 0.00 0.00 33.01 32.81 1kjp s GLN 31 CO 0.04 -0.48 0.32 0.34 -0.55 0.00 0.00 175.29 174.96 1kjp s ASP 32 N 2.01 6.11 0.00 6.67 -1.08 -0.00 -3.05 116.67 127.33 1kjp s ASP 32 Ca 0.03 -0.99 0.28 0.00 -0.52 0.00 0.00 52.55 51.35 1kjp s ASP 32 Cb -0.14 -2.16 0.96 0.00 -1.46 0.00 0.00 42.92 40.12 1kjp s ASP 32 CO -0.06 -0.49 1.69 0.59 0.52 0.00 0.00 175.17 177.42 1kjp n ASN 33 N 5.17 1.60 0.01 -0.34 3.02 -1.26 -1.82 115.26 121.63 1kjp n ASN 33 Ca -0.11 -1.51 0.13 0.00 -0.03 0.00 0.00 54.58 53.06 1kjp n ASN 33 Cb 0.46 0.01 0.48 0.00 -0.61 0.00 0.00 39.78 40.12 1kjp n ASN 33 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1kjp n THR 34 N 0.22 0.03 -4.01 3.41 -2.24 -1.26 -4.73 114.28 105.70 1kjp n THR 34 Ca 0.18 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.63 1kjp n THR 34 Cb 0.37 -0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 68.21 1kjp n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1kjp s ARG 35 N -3.01 2.03 4.45 -0.78 0.52 -1.26 -5.05 118.95 115.84 1kjp s ARG 35 Ca 0.13 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 1kjp s ARG 35 Cb 0.18 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.99 1kjp s ARG 35 CO 0.59 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.80 1kjp n GLY 36 N 4.58 2.68 0.37 -3.53 0.00 -1.26 -0.73 105.19 107.30 1kjp n GLY 36 Ca -0.14 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.65 1kjp n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kjp n ASN 37 N 1.09 1.06 0.00 1.61 3.02 -0.84 -4.98 115.26 116.22 1kjp n ASN 37 Ca 0.00 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1kjp n ASN 37 Cb 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1kjp n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kjp n GLY 38 N 0.74 2.74 3.12 7.41 0.00 0.09 -4.68 105.19 114.60 1kjp n GLY 38 Ca 0.06 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1kjp n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kjp s ILE 39 N -2.58 1.91 -0.07 -0.61 1.01 -0.75 -1.35 121.20 118.75 1kjp s ILE 39 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1kjp s ILE 39 Cb 0.00 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1kjp s ILE 39 CO 0.00 0.52 -0.24 -0.36 0.00 0.00 0.00 174.94 174.86 1kjp s PHE 40 N 1.03 2.41 -0.10 3.97 0.08 0.65 -0.82 117.98 125.19 1kjp s PHE 40 Ca -0.03 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.24 1kjp s PHE 40 Cb -0.15 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 1kjp s PHE 40 CO -0.05 -0.28 -0.24 0.99 -0.10 0.00 0.00 175.22 175.54 1kjp s THR 41 N 0.04 2.04 0.24 0.64 2.01 -0.85 -1.32 115.64 118.45 1kjp s THR 41 Ca -0.09 -1.00 0.10 0.00 0.31 0.00 0.00 61.69 61.00 1kjp s THR 41 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1kjp s THR 41 CO 0.05 0.55 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.18 1kjp s TYR 42 N 0.39 2.65 -0.32 4.92 1.51 0.16 -1.37 117.35 125.28 1kjp s TYR 42 Ca -0.18 -0.23 -0.10 0.00 -1.01 0.00 0.00 57.07 55.55 1kjp s TYR 42 Cb -0.18 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 1kjp s TYR 42 CO 0.08 0.60 0.17 0.34 -1.11 0.00 0.00 175.55 175.63 1kjp s ASP 43 N -3.43 5.68 0.00 2.29 2.15 0.17 -1.46 116.67 122.07 1kjp s ASP 43 Ca 0.30 -0.49 0.28 0.00 0.43 0.00 0.00 52.55 53.06 1kjp s ASP 43 Cb -0.07 -2.04 1.05 0.00 -0.30 0.00 0.00 42.92 41.57 1kjp s ASP 43 CO 0.18 -0.20 1.75 0.00 -0.17 0.00 0.00 175.17 176.73 1kjp n ALA 44 N 5.01 2.86 -4.14 3.66 0.00 -0.35 -2.04 120.51 125.52 1kjp n ALA 44 Ca -0.14 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.64 1kjp n ALA 44 Cb 0.49 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1kjp n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kjp n LYS 45 N -0.77 -3.67 -0.93 0.00 5.02 -1.24 -1.00 118.16 115.57 1kjp n LYS 45 Ca 0.14 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1kjp n LYS 45 Cb 0.31 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.18 1kjp n LYS 45 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1kjp n TYR 46 N -4.45 0.00 -3.06 2.13 4.01 0.10 -4.97 117.16 110.93 1kjp n TYR 46 Ca 0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.58 1kjp n TYR 46 Cb 0.51 -0.97 0.06 0.00 -0.31 0.00 0.00 39.34 38.63 1kjp n TYR 46 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1kjp s ARG 47 N -0.89 2.34 0.00 -0.72 1.81 -0.17 -3.49 118.95 117.83 1kjp s ARG 47 Ca 0.00 -1.62 0.09 0.00 -1.72 0.00 0.00 55.73 52.47 1kjp s ARG 47 Cb 0.00 -2.64 0.15 0.00 -0.45 0.00 0.00 34.95 32.01 1kjp s ARG 47 CO 0.00 -0.82 0.98 0.25 -0.68 0.00 0.00 175.30 175.03 1kjp n THR 48 N -2.21 0.44 -2.79 0.02 -2.24 -1.26 -1.21 114.28 105.04 1kjp n THR 48 Ca 0.15 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 1kjp n THR 48 Cb 0.61 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 1kjp n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kjp s THR 49 N -0.87 4.90 0.14 4.28 -4.23 -1.26 -5.03 115.64 113.57 1kjp s THR 49 Ca 0.14 1.90 0.07 0.00 -1.18 0.00 0.00 61.69 62.62 1kjp s THR 49 Cb 0.09 -4.25 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 1kjp s THR 49 CO 0.12 0.16 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.54 1kjp s LEU 50 N 1.13 3.17 0.13 4.79 1.43 -1.26 -3.75 118.68 124.32 1kjp s LEU 50 Ca 0.48 -0.40 0.26 0.00 -1.03 0.00 0.00 54.13 53.44 1kjp s LEU 50 Cb -0.20 -1.89 0.65 0.00 0.03 0.00 0.00 46.19 44.78 1kjp s LEU 50 CO 0.24 0.14 1.58 -0.81 0.23 0.00 0.00 176.35 177.73 1kjp n PRO 51 N 0.32 0.22 0.00 1.29 -0.04 -1.26 -5.11 135.00 130.42 1kjp n PRO 51 Ca -0.11 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1kjp n PRO 51 Cb 0.54 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1kjp n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kjp n GLY 52 N 1.36 -0.05 3.57 0.55 0.00 -1.25 -4.34 105.19 105.03 1kjp n GLY 52 Ca 0.05 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 1kjp n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kjp s SER 53 N -4.00 4.63 0.18 1.61 1.04 -0.86 -4.88 113.70 111.42 1kjp s SER 53 Ca 0.00 -0.04 -0.33 0.00 0.48 0.00 0.00 55.95 56.05 1kjp s SER 53 Cb 0.00 -1.24 -0.14 0.00 0.10 0.00 0.00 66.02 64.75 1kjp s SER 53 CO 0.00 0.34 1.56 -0.11 0.98 0.00 0.00 173.24 176.01 1kjp n LEU 54 N 2.39 3.20 -4.64 2.42 7.94 -1.26 -0.66 117.00 126.39 1kjp n LEU 54 Ca -0.18 1.09 -0.42 0.00 -1.11 0.00 0.00 56.01 55.39 1kjp n LEU 54 Cb 0.53 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 43.01 1kjp n LEU 54 CO 0.28 -0.28 1.66 0.86 -1.11 0.00 0.00 177.39 178.80 1kjp s TRP 55 N 0.72 1.29 -0.06 1.96 -0.11 -0.47 -4.80 118.94 117.47 1kjp s TRP 55 Ca 0.76 -0.14 0.03 0.00 1.22 0.00 0.00 56.10 57.97 1kjp s TRP 55 Cb -0.66 -4.14 -0.02 0.00 -1.50 0.00 0.00 33.47 27.15 1kjp s TRP 55 CO 0.40 -5.05 -0.16 0.00 -4.62 0.00 0.00 176.95 167.52 1kjp s ALA 56 N 5.54 2.59 0.00 5.86 0.00 -1.26 -1.43 121.76 133.06 1kjp s ALA 56 Ca 0.91 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1kjp s ALA 56 Cb -0.39 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 1kjp s ALA 56 CO 0.39 0.49 -0.06 0.34 0.00 0.00 0.00 175.76 176.93 1kjp s ASP 57 N -0.51 0.68 0.20 0.00 2.15 0.82 -4.95 116.67 115.06 1kjp s ASP 57 Ca 0.07 -0.17 0.08 0.00 0.43 0.00 0.00 52.55 52.95 1kjp s ASP 57 Cb -0.12 -0.05 0.09 0.00 -0.30 0.00 0.00 42.92 42.54 1kjp s ASP 57 CO 0.01 0.02 1.45 0.00 -0.17 0.00 0.00 175.17 176.49 1kjp h ALA 58 N 5.75 0.67 0.00 3.66 0.00 -1.94 0.17 119.26 127.59 1kjp h ALA 58 Ca -0.29 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1kjp h ALA 58 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1kjp h ALA 58 CO 0.49 0.97 0.00 -0.40 0.00 0.00 0.00 179.25 180.31 1kjp n ASP 59 N -3.61 1.35 -0.87 0.00 5.68 -1.26 -4.73 116.55 113.10 1kjp n ASP 59 Ca -0.01 -1.50 -0.11 0.00 -0.50 0.00 0.00 54.79 52.67 1kjp n ASP 59 Cb 0.77 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.70 1kjp n ASP 59 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1kjp n ASN 60 N -0.25 -4.32 -4.11 -1.12 5.15 -1.26 -5.00 115.26 104.36 1kjp n ASN 60 Ca 0.00 0.27 -0.31 0.00 -0.60 0.00 0.00 54.58 53.94 1kjp n ASN 60 Cb 0.18 -2.83 -0.16 0.00 -0.53 0.00 0.00 39.78 36.43 1kjp n ASN 60 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1kjp s GLN 61 N -3.01 2.66 -0.68 1.20 -0.21 -1.26 -2.48 119.66 115.88 1kjp s GLN 61 Ca 0.00 -0.72 0.05 0.00 0.02 0.00 0.00 55.36 54.71 1kjp s GLN 61 Cb 0.00 -2.23 0.25 0.00 1.00 0.00 0.00 33.01 32.03 1kjp s GLN 61 CO 0.00 -0.08 0.80 1.19 -2.12 0.00 0.00 175.29 175.08 1kjp n PHE 62 N 4.28 3.54 0.25 0.91 3.01 0.95 -4.82 117.46 125.58 1kjp n PHE 62 Ca -0.19 -4.03 0.07 0.00 1.01 0.00 0.00 57.45 54.31 1kjp n PHE 62 Cb 0.51 -0.62 0.12 0.00 -0.01 0.00 0.00 39.48 39.48 1kjp n PHE 62 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1kjp n PHE 63 N 0.92 0.26 -2.76 1.38 3.72 -1.26 -1.51 117.46 118.20 1kjp n PHE 63 Ca 0.29 -0.21 -0.34 0.00 -0.05 0.00 0.00 57.45 57.15 1kjp n PHE 63 Cb 0.40 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 1kjp n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kjp s ALA 64 N -1.12 3.03 0.36 4.37 0.00 -1.26 -4.90 121.76 122.24 1kjp s ALA 64 Ca 0.23 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.69 1kjp s ALA 64 Cb 0.14 -3.17 0.71 0.00 0.00 0.00 0.00 23.12 20.79 1kjp s ALA 64 CO 0.19 0.05 1.97 0.66 0.00 0.00 0.00 175.76 178.63 1kjp h SER 65 N 1.99 0.69 0.43 0.00 4.64 -1.97 -0.24 113.55 119.10 1kjp h SER 65 Ca -0.49 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1kjp h SER 65 Cb 1.19 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1kjp h SER 65 CO 0.61 0.46 -0.15 0.22 -0.87 0.00 0.00 176.83 177.10 1kjp h TYR 66 N 0.79 0.00 0.00 4.77 3.20 -1.99 -2.89 116.97 120.85 1kjp h TYR 66 Ca 0.30 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.99 1kjp h TYR 66 Cb 0.18 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1kjp h TYR 66 CO -0.00 0.15 -0.83 -0.44 -1.64 0.00 0.00 178.16 175.40 1kjp h ASP 67 N 0.00 0.00 -0.81 -2.11 3.32 -1.38 -3.39 116.42 112.05 1kjp h ASP 67 Ca -0.00 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.18 1kjp h ASP 67 Cb 0.41 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.82 1kjp h ASP 67 CO 0.02 0.83 -0.37 0.00 -1.72 0.00 0.00 179.24 178.00 1kjp h ALA 68 N 1.17 0.04 -0.50 3.45 0.00 -1.37 -0.64 119.26 121.41 1kjp h ALA 68 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1kjp h ALA 68 Cb 1.55 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 20.23 1kjp h ALA 68 CO 0.11 -0.66 0.32 -1.35 0.00 0.00 0.00 179.25 177.67 1kjp h PRO 69 N -0.08 0.66 -0.27 0.00 0.11 -1.79 -2.36 132.00 128.27 1kjp h PRO 69 Ca 0.29 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.23 1kjp h PRO 69 Cb 0.57 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1kjp h PRO 69 CO -0.84 0.44 -0.32 0.00 -0.21 0.00 0.00 178.00 177.07 1kjp h ALA 70 N 1.68 0.40 -0.26 -0.75 0.00 -1.42 -1.57 119.26 117.35 1kjp h ALA 70 Ca 0.18 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1kjp h ALA 70 Cb -0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1kjp h ALA 70 CO -0.04 0.44 0.02 0.28 0.00 0.00 0.00 179.25 179.96 1kjp h VAL 71 N 0.43 0.85 -0.30 0.00 2.07 -0.81 -1.23 116.25 117.25 1kjp h VAL 71 Ca 0.04 -0.04 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1kjp h VAL 71 Cb 0.90 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1kjp h VAL 71 CO 0.08 0.02 -0.46 0.44 0.02 0.00 0.00 177.57 177.67 1kjp h ASP 72 N 0.11 0.87 -0.69 0.57 3.32 -1.43 -0.72 116.42 118.45 1kjp h ASP 72 Ca 0.12 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1kjp h ASP 72 Cb 0.14 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1kjp h ASP 72 CO -0.18 1.19 0.35 0.00 -1.72 0.00 0.00 179.24 178.88 1kjp h ALA 73 N 0.84 0.89 0.01 3.45 0.00 -1.10 0.56 119.26 123.90 1kjp h ALA 73 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kjp h ALA 73 Cb 1.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1kjp h ALA 73 CO 0.10 0.44 -0.00 1.25 0.00 0.00 0.00 179.25 181.04 1kjp h HIS 74 N 0.96 -0.01 -0.20 0.00 -0.00 -1.15 -2.37 115.15 112.37 1kjp h HIS 74 Ca 0.24 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 1kjp h HIS 74 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 1kjp h HIS 74 CO 0.00 0.32 0.03 -0.92 -0.00 0.00 0.00 177.93 177.37 1kjp h TYR 75 N -0.34 0.36 0.00 5.26 5.03 -1.01 -2.84 116.97 123.42 1kjp h TYR 75 Ca -0.00 -0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.20 1kjp h TYR 75 Cb 0.34 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1kjp h TYR 75 CO 0.04 0.48 -0.29 1.88 -1.32 0.00 0.00 178.16 178.95 1kjp h TYR 76 N 0.13 0.00 -0.36 -3.82 0.05 -0.97 -1.76 116.97 110.25 1kjp h TYR 76 Ca 0.06 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.73 1kjp h TYR 76 Cb 0.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1kjp h TYR 76 CO 0.02 0.29 -0.21 0.00 -1.05 0.00 0.00 178.16 177.21 1kjp h ALA 77 N 1.71 0.96 -0.38 3.88 0.00 -1.36 -1.28 119.26 122.79 1kjp h ALA 77 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1kjp h ALA 77 Cb 0.76 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1kjp h ALA 77 CO 0.04 0.61 0.01 0.78 0.00 0.00 0.00 179.25 180.69 1kjp h GLY 78 N 0.98 0.71 1.07 0.00 0.00 -1.13 -1.03 103.07 103.67 1kjp h GLY 78 Ca 0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1kjp h GLY 78 CO 0.05 0.47 0.36 -2.08 0.00 0.00 0.00 176.54 175.34 1kjp h VAL 79 N 0.49 1.26 -0.48 4.60 2.07 -1.16 -1.07 116.25 121.95 1kjp h VAL 79 Ca 0.11 -0.77 -0.11 0.00 0.82 0.00 0.00 66.70 66.75 1kjp h VAL 79 Cb 0.45 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1kjp h VAL 79 CO 0.02 0.32 -0.13 0.74 0.02 0.00 0.00 177.57 178.53 1kjp h THR 80 N 1.17 1.27 -0.64 2.57 2.02 -1.06 -1.10 112.91 117.13 1kjp h THR 80 Ca 0.27 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1kjp h THR 80 Cb 0.17 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1kjp h THR 80 CO -0.03 0.44 0.30 0.22 0.37 0.00 0.00 175.52 176.82 1kjp h TYR 81 N 0.81 0.93 -0.79 3.16 5.03 -0.80 -2.32 116.97 122.99 1kjp h TYR 81 Ca 0.13 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 1kjp h TYR 81 Cb 0.67 -0.29 -0.04 0.00 1.55 0.00 0.00 36.73 38.63 1kjp h TYR 81 CO 0.04 0.70 0.40 -0.44 -1.32 0.00 0.00 178.16 177.55 1kjp h ASP 82 N 0.88 1.01 0.28 -2.11 3.32 -0.81 -1.59 116.42 117.41 1kjp h ASP 82 Ca 0.22 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1kjp h ASP 82 Cb 0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1kjp h ASP 82 CO -0.03 0.84 -0.18 0.22 -1.72 0.00 0.00 179.24 178.37 1kjp h TYR 83 N 1.10 -0.47 -0.50 4.55 3.20 -0.87 0.11 116.97 124.10 1kjp h TYR 83 Ca 0.27 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1kjp h TYR 83 Cb 0.08 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1kjp h TYR 83 CO 0.01 -0.28 0.21 1.88 -1.64 0.00 0.00 178.16 178.33 1kjp h TYR 84 N -0.45 0.70 -0.01 -3.82 0.05 -1.27 -0.13 116.97 112.04 1kjp h TYR 84 Ca -0.03 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1kjp h TYR 84 Cb 0.38 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1kjp h TYR 84 CO -0.09 0.54 -0.06 -0.22 -1.05 0.00 0.00 178.16 177.28 1kjp h LYS 85 N 0.70 0.05 -0.06 4.88 3.64 -1.07 -0.37 116.57 124.34 1kjp h LYS 85 Ca 0.17 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.30 1kjp h LYS 85 Cb 0.13 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1kjp h LYS 85 CO -0.02 0.75 -0.83 -0.91 -2.27 0.00 0.00 179.45 176.17 1kjp h ASN 86 N -0.64 0.61 0.17 4.20 2.35 -0.73 -2.02 115.58 119.51 1kjp h ASN 86 Ca -0.01 -0.43 -0.36 0.00 -0.55 0.00 0.00 56.30 54.96 1kjp h ASN 86 Cb 0.77 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1kjp h ASN 86 CO 0.01 1.21 -1.96 0.52 -1.65 0.00 0.00 177.43 175.56 1kjp n VAL 87 N -3.82 1.77 0.20 2.81 0.31 -0.07 -4.55 118.33 114.98 1kjp n VAL 87 Ca -0.06 -0.67 0.03 0.00 -0.01 0.00 0.00 64.34 63.63 1kjp n VAL 87 Cb 0.77 -1.65 0.04 0.00 -0.91 0.00 0.00 33.84 32.09 1kjp n VAL 87 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1kjp n HIS 88 N -3.43 0.05 -3.62 3.52 8.25 -0.92 -5.00 115.22 114.07 1kjp n HIS 88 Ca -0.30 -0.10 -0.26 0.00 -0.26 0.00 0.00 57.72 56.80 1kjp n HIS 88 Cb 1.05 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 32.20 1kjp n HIS 88 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1kjp n ASN 89 N 0.32 -5.72 -4.39 0.41 5.15 -0.74 -4.95 115.26 105.35 1kjp n ASN 89 Ca 0.04 -0.58 -0.34 0.00 -0.60 0.00 0.00 54.58 53.11 1kjp n ASN 89 Cb 0.20 -4.54 -0.14 0.00 -0.53 0.00 0.00 39.78 34.78 1kjp n ASN 89 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1kjp s ARG 90 N -6.33 3.47 -0.60 1.20 3.52 -0.23 -4.95 118.95 115.04 1kjp s ARG 90 Ca 0.57 -0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 55.35 1kjp s ARG 90 Cb -0.27 -2.85 0.08 0.00 -1.56 0.00 0.00 34.95 30.36 1kjp s ARG 90 CO 0.70 0.08 0.79 -0.51 -0.81 0.00 0.00 175.30 175.55 1kjp s LEU 91 N 0.75 4.93 0.00 -0.88 1.43 -1.26 -2.71 118.68 120.94 1kjp s LEU 91 Ca -0.03 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 1kjp s LEU 91 Cb -0.15 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1kjp s LEU 91 CO 0.02 -1.19 0.00 -0.24 0.23 0.00 0.00 176.35 175.17 1kjp n SER 92 N 6.81 -5.78 0.19 2.29 2.88 -1.26 -1.31 113.62 117.44 1kjp n SER 92 Ca -0.07 0.50 0.05 0.00 -1.33 0.00 0.00 58.87 58.03 1kjp n SER 92 Cb 0.44 -1.40 0.38 0.00 -0.75 0.00 0.00 64.21 62.88 1kjp n SER 92 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1kjp h TYR 93 N -0.43 0.00 -0.02 0.66 -0.00 -1.92 -3.10 116.97 112.17 1kjp h TYR 93 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.74 1kjp h TYR 93 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.15 1kjp h TYR 93 CO 0.00 0.36 -0.32 -0.40 -0.00 0.00 0.00 178.16 177.80 1kjp n ASP 94 N -3.68 1.94 0.00 0.10 5.75 -1.26 -4.37 116.55 115.03 1kjp n ASP 94 Ca -0.01 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 1kjp n ASP 94 Cb 0.46 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1kjp n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kjp n GLY 95 N 1.37 0.90 1.51 6.12 0.00 -0.80 -4.87 105.19 109.42 1kjp n GLY 95 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1kjp n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kjp n ASN 96 N 0.00 2.06 -3.06 1.61 5.15 -0.90 -4.34 115.26 115.77 1kjp n ASN 96 Ca 0.00 -2.98 -0.23 0.00 -0.60 0.00 0.00 54.58 50.78 1kjp n ASN 96 Cb 0.00 -0.42 0.04 0.00 -0.53 0.00 0.00 39.78 38.88 1kjp n ASN 96 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1kjp n ASN 97 N -0.46 -6.18 -4.74 1.20 5.03 -0.43 -4.93 115.26 104.75 1kjp n ASN 97 Ca 0.18 -0.32 -0.40 0.00 0.87 0.00 0.00 54.58 54.91 1kjp n ASN 97 Cb 0.90 -4.97 0.01 0.00 -1.02 0.00 0.00 39.78 34.71 1kjp n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kjp n ALA 98 N -3.73 1.81 -1.78 5.41 0.00 -1.26 -1.98 120.51 118.98 1kjp n ALA 98 Ca -0.10 0.26 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 1kjp n ALA 98 Cb 0.61 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 1kjp n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kjp s ALA 99 N -1.19 3.56 -0.24 0.00 0.00 -1.26 -4.62 121.76 118.01 1kjp s ALA 99 Ca 0.60 1.45 -0.09 0.00 0.00 0.00 0.00 51.96 53.92 1kjp s ALA 99 Cb -0.47 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 1kjp s ALA 99 CO 0.58 -0.89 0.12 0.42 0.00 0.00 0.00 175.76 175.99 1kjp s ILE 100 N -1.02 4.88 -0.04 0.00 1.01 -0.46 -5.02 121.20 120.56 1kjp s ILE 100 Ca 0.52 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.25 1kjp s ILE 100 Cb -0.44 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1kjp s ILE 100 CO 0.58 0.34 -0.24 -0.13 0.00 0.00 0.00 174.94 175.49 1kjp s ARG 101 N 1.27 2.25 0.01 2.79 0.52 -1.26 -0.25 118.95 124.27 1kjp s ARG 101 Ca 0.06 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1kjp s ARG 101 Cb -0.14 -2.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 1kjp s ARG 101 CO 0.05 0.42 -0.08 -1.12 0.02 0.00 0.00 175.30 174.60 1kjp s SER 102 N -0.31 0.88 -0.06 0.23 0.01 -0.43 -1.18 113.70 112.83 1kjp s SER 102 Ca 0.02 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.07 1kjp s SER 102 Cb -0.12 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 1kjp s SER 102 CO 0.02 0.00 -0.23 -0.44 0.41 0.00 0.00 173.24 173.00 1kjp s SER 103 N -0.61 2.84 0.44 2.44 0.01 -0.53 0.35 113.70 118.65 1kjp s SER 103 Ca -0.01 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.83 1kjp s SER 103 Cb -0.05 -0.90 -0.04 0.00 0.21 0.00 0.00 66.02 65.24 1kjp s SER 103 CO 0.00 0.20 0.13 0.68 0.41 0.00 0.00 173.24 174.67 1kjp s VAL 104 N -0.00 2.00 -1.38 3.43 -7.23 -0.53 -1.08 120.40 115.61 1kjp s VAL 104 Ca -0.07 -1.79 -0.09 0.00 -1.81 0.00 0.00 61.98 58.22 1kjp s VAL 104 Cb -0.14 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.02 1kjp s VAL 104 CO 0.04 0.00 1.15 1.41 -0.31 0.00 0.00 175.10 177.39 1kjp n HIS 105 N -1.23 -2.82 -2.63 2.82 8.25 -1.14 -1.21 115.22 117.26 1kjp n HIS 105 Ca -0.05 0.98 -0.42 0.00 -0.26 0.00 0.00 57.72 57.97 1kjp n HIS 105 Cb 0.65 -4.98 -0.03 0.00 1.12 0.00 0.00 29.99 26.76 1kjp n HIS 105 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1kjp s TYR 106 N -3.31 3.45 0.00 4.41 5.04 -1.01 0.00 117.35 125.93 1kjp s TYR 106 Ca 0.57 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.71 1kjp s TYR 106 Cb -0.25 -3.24 0.00 0.00 0.35 0.00 0.00 41.96 38.81 1kjp s TYR 106 CO 0.71 -0.48 0.00 0.45 -1.34 0.00 0.00 175.55 174.89 1kjp n SER 107 N 4.92 -2.85 -4.06 4.32 2.88 -0.35 -4.34 113.62 114.14 1kjp n SER 107 Ca 0.09 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.36 1kjp n SER 107 Cb 0.48 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.78 1kjp n SER 107 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1kjp s GLN 108 N 0.00 2.01 -1.39 -1.46 -0.21 -1.26 -4.25 119.66 113.10 1kjp s GLN 108 Ca 0.00 -0.51 -0.06 0.00 0.02 0.00 0.00 55.36 54.81 1kjp s GLN 108 Cb 0.00 -1.64 0.03 0.00 1.00 0.00 0.00 33.01 32.40 1kjp s GLN 108 CO 0.00 0.03 0.47 0.41 -2.12 0.00 0.00 175.29 174.08 1kjp n GLY 109 N 3.87 -0.50 3.63 3.09 0.00 -1.26 -4.91 105.19 109.10 1kjp n GLY 109 Ca -0.21 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1kjp n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kjp s TYR 110 N -3.01 3.10 -1.11 1.61 5.04 -1.26 -4.06 117.35 117.67 1kjp s TYR 110 Ca 0.30 1.03 -0.04 0.00 -2.44 0.00 0.00 57.07 55.92 1kjp s TYR 110 Cb -0.15 -3.76 0.17 0.00 0.35 0.00 0.00 41.96 38.57 1kjp s TYR 110 CO 0.37 -0.83 2.30 0.09 -1.34 0.00 0.00 175.55 176.14 1kjp n ASN 111 N 6.94 7.65 -3.54 4.32 3.02 -1.26 -0.88 115.26 131.51 1kjp n ASN 111 Ca 0.11 -3.31 -0.10 0.00 -0.03 0.00 0.00 54.58 51.25 1kjp n ASN 111 Cb 0.48 -1.28 -0.02 0.00 -0.61 0.00 0.00 39.78 38.34 1kjp n ASN 111 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1kjp s ASN 112 N -0.09 -0.44 0.00 6.41 2.47 -1.26 -5.03 114.94 117.01 1kjp s ASN 112 Ca 0.51 -0.14 -0.05 0.00 0.42 0.00 0.00 52.86 53.61 1kjp s ASN 112 Cb 0.23 0.56 -0.00 0.00 -1.45 0.00 0.00 41.25 40.59 1kjp s ASN 112 CO -0.14 -0.95 0.08 0.00 -3.72 0.00 0.00 177.10 172.38 1kjp s ALA 113 N -3.59 -0.19 0.18 1.71 0.00 -1.26 -1.50 121.76 117.11 1kjp s ALA 113 Ca 0.05 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 1kjp s ALA 113 Cb -0.02 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.24 1kjp s ALA 113 CO -0.07 -0.17 0.76 -0.59 0.00 0.00 0.00 175.76 175.68 1kjp s PHE 114 N -1.20 -0.30 -0.22 0.00 -0.71 -0.18 -4.98 117.98 110.38 1kjp s PHE 114 Ca -0.13 -0.02 -0.06 0.00 -1.04 0.00 0.00 56.93 55.69 1kjp s PHE 114 Cb -0.07 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1kjp s PHE 114 CO 0.01 -0.95 0.01 -0.46 -1.34 0.00 0.00 175.22 172.49 1kjp s TRP 115 N -3.63 3.03 -0.88 3.49 -0.11 -1.26 -0.21 118.94 119.37 1kjp s TRP 115 Ca 0.08 -0.57 0.13 0.00 1.22 0.00 0.00 56.10 56.96 1kjp s TRP 115 Cb -0.03 -2.14 0.61 0.00 -1.50 0.00 0.00 33.47 30.41 1kjp s TRP 115 CO -0.02 -0.36 1.47 0.27 -4.62 0.00 0.00 176.95 173.69 1kjp n ASN 116 N 4.62 4.26 0.00 5.86 6.94 -0.48 -4.87 115.26 131.59 1kjp n ASN 116 Ca -0.17 -2.51 0.00 0.00 -0.02 0.00 0.00 54.58 51.88 1kjp n ASN 116 Cb 0.51 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1kjp n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kjp n GLY 117 N 0.77 1.98 0.00 4.83 0.00 -1.26 -4.75 105.19 106.76 1kjp n GLY 117 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1kjp n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kjp n SER 118 N 0.00 1.06 -3.75 1.61 7.64 -1.26 -5.14 113.62 113.78 1kjp n SER 118 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1kjp n SER 118 Cb 0.00 0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1kjp n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kjp s GLN 119 N -0.75 1.83 0.09 1.43 -2.07 -1.26 -4.75 119.66 114.19 1kjp s GLN 119 Ca 0.00 -1.06 -0.06 0.00 -1.82 0.00 0.00 55.36 52.42 1kjp s GLN 119 Cb 0.00 0.60 -0.05 0.00 -1.09 0.00 0.00 33.01 32.47 1kjp s GLN 119 CO 0.00 -0.84 0.34 -1.64 -1.32 0.00 0.00 175.29 171.84 1kjp s MET 120 N -3.72 3.62 -0.03 9.60 -1.94 -0.33 -1.38 119.30 125.13 1kjp s MET 120 Ca 0.12 -0.06 0.01 0.00 -1.71 0.00 0.00 55.69 54.06 1kjp s MET 120 Cb -0.06 -2.94 0.01 0.00 2.01 0.00 0.00 34.83 33.85 1kjp s MET 120 CO 0.08 0.54 -0.05 0.08 -0.01 0.00 0.00 175.02 175.66 1kjp s VAL 121 N -1.52 0.48 -0.08 -6.03 1.01 0.71 -1.45 120.40 113.52 1kjp s VAL 121 Ca 0.36 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1kjp s VAL 121 Cb -0.13 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1kjp s VAL 121 CO 0.22 0.18 -0.14 -0.31 0.00 0.00 0.00 175.10 175.05 1kjp s TYR 122 N 0.53 1.67 0.71 5.22 2.02 -0.24 -1.02 117.35 126.24 1kjp s TYR 122 Ca -0.07 -0.66 -0.06 0.00 -0.37 0.00 0.00 57.07 55.92 1kjp s TYR 122 Cb -0.10 -1.21 0.08 0.00 -0.40 0.00 0.00 41.96 40.33 1kjp s TYR 122 CO -0.00 -0.33 1.00 0.20 -1.57 0.00 0.00 175.55 174.85 1kjp s GLY 123 N 0.72 1.72 0.00 0.71 0.00 -0.56 -2.41 107.32 107.51 1kjp s GLY 123 Ca -0.13 -1.11 0.24 0.00 0.00 0.00 0.00 44.72 43.72 1kjp s GLY 123 CO 0.03 -0.67 1.24 1.22 0.00 0.00 0.00 173.10 174.93 1kjp n ASP 124 N -2.90 0.93 -0.04 1.64 8.00 -1.21 -2.76 116.55 120.20 1kjp n ASP 124 Ca 0.09 -0.74 0.01 0.00 0.71 0.00 0.00 54.79 54.86 1kjp n ASP 124 Cb 0.60 0.49 -0.00 0.00 -0.02 0.00 0.00 41.12 42.19 1kjp n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kjp n GLY 125 N 1.46 -1.92 1.00 0.44 0.00 -0.06 -1.34 105.19 104.77 1kjp n GLY 125 Ca 0.07 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.71 1kjp n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kjp n ASP 126 N -2.47 3.02 0.00 1.61 5.68 -1.13 -4.00 116.55 119.26 1kjp n ASP 126 Ca -0.00 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 1kjp n ASP 126 Cb 0.02 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1kjp n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kjp n GLY 127 N 1.41 2.21 0.69 6.12 0.00 -0.10 -4.78 105.19 110.75 1kjp n GLY 127 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1kjp n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kjp n GLN 128 N -2.00 0.21 0.06 1.61 1.13 -1.26 -4.77 117.38 112.35 1kjp n GLN 128 Ca 0.00 0.09 -0.21 0.00 -1.94 0.00 0.00 57.00 54.93 1kjp n GLN 128 Cb 0.00 -0.85 -0.15 0.00 0.11 0.00 0.00 30.24 29.35 1kjp n GLN 128 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1kjp h THR 129 N -0.37 1.36 -3.98 5.09 2.02 -1.94 -3.36 112.91 111.73 1kjp h THR 129 Ca -0.13 -2.54 -0.14 0.00 0.77 0.00 0.00 66.41 64.37 1kjp h THR 129 Cb 0.79 3.07 -0.18 0.00 -1.74 0.00 0.00 68.15 70.09 1kjp h THR 129 CO -0.08 0.73 -0.63 -0.36 0.37 0.00 0.00 175.52 175.55 1kjp s PHE 130 N -2.47 0.31 0.48 3.16 0.08 -1.26 0.13 117.98 118.40 1kjp s PHE 130 Ca -0.14 -0.66 0.07 0.00 0.12 0.00 0.00 56.93 56.32 1kjp s PHE 130 Cb 0.02 -0.23 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 1kjp s PHE 130 CO 0.84 -0.30 0.39 0.96 -0.10 0.00 0.00 175.22 177.01 1kjp s ILE 131 N -2.48 2.17 -0.48 0.64 -4.36 -0.64 -0.92 121.20 115.13 1kjp s ILE 131 Ca -0.06 -1.43 -0.46 0.00 -0.26 0.00 0.00 60.65 58.45 1kjp s ILE 131 Cb -0.02 -2.60 -0.19 0.00 1.25 0.00 0.00 42.46 40.90 1kjp s ILE 131 CO -0.04 0.00 1.74 -2.65 0.24 0.00 0.00 174.94 174.23 1kjp n PRO 132 N -1.64 0.12 0.22 0.37 -0.02 -0.45 -4.41 135.00 129.19 1kjp n PRO 132 Ca 0.02 0.04 0.16 0.00 -2.02 0.00 0.00 63.50 61.70 1kjp n PRO 132 Cb 0.63 -1.57 0.82 0.00 -0.02 0.00 0.00 33.50 33.36 1kjp n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1kjp h LEU 133 N 6.22 0.00 0.00 2.45 4.07 -1.77 -1.72 115.31 124.56 1kjp h LEU 133 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1kjp h LEU 133 Cb 1.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1kjp h LEU 133 CO 1.00 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.82 1kjp n SER 134 N -3.91 0.00 0.00 -0.43 3.41 -1.26 -2.61 113.62 108.82 1kjp n SER 134 Ca 0.01 0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.86 1kjp n SER 134 Cb 0.26 -0.33 0.47 0.00 -0.26 0.00 0.00 64.21 64.35 1kjp n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kjp n GLY 135 N 0.14 -1.16 3.45 5.00 0.00 -0.65 -4.26 105.19 107.71 1kjp n GLY 135 Ca 0.07 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1kjp n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kjp s GLY 136 N -2.89 1.76 0.31 -0.02 0.00 -1.07 -4.83 107.32 100.58 1kjp s GLY 136 Ca 0.13 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1kjp s GLY 136 CO 0.37 0.51 1.81 1.19 0.00 0.00 0.00 173.10 176.98 1kjp h ILE 137 N 5.52 1.22 0.00 0.90 2.10 -1.89 -1.87 117.51 123.49 1kjp h ILE 137 Ca -0.38 -0.97 -0.06 0.00 1.08 0.00 0.00 64.86 64.53 1kjp h ILE 137 Cb 1.17 1.09 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 1kjp h ILE 137 CO 0.58 0.32 -0.27 -2.24 -1.08 0.00 0.00 178.15 175.46 1kjp h ASP 138 N 0.48 0.00 0.00 2.19 3.04 -1.94 -1.25 116.42 118.95 1kjp h ASP 138 Ca 0.09 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.88 1kjp h ASP 138 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.75 1kjp h ASP 138 CO 0.02 0.27 -0.00 0.58 -2.04 0.00 0.00 179.24 178.07 1kjp h VAL 139 N 0.00 1.43 -0.41 4.15 2.07 -1.68 -0.54 116.25 121.27 1kjp h VAL 139 Ca -0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1kjp h VAL 139 Cb 0.72 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1kjp h VAL 139 CO 0.04 0.33 0.28 0.58 0.02 0.00 0.00 177.57 178.81 1kjp h VAL 140 N -0.55 1.11 -0.20 2.57 2.07 -1.22 -1.21 116.25 118.81 1kjp h VAL 140 Ca -0.00 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1kjp h VAL 140 Cb 0.55 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1kjp h VAL 140 CO 0.00 0.10 -0.29 0.00 0.02 0.00 0.00 177.57 177.41 1kjp h ALA 141 N 1.15 1.14 -0.37 1.67 0.00 -1.27 -1.21 119.26 120.37 1kjp h ALA 141 Ca 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1kjp h ALA 141 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1kjp h ALA 141 CO -0.03 0.55 0.21 1.25 0.00 0.00 0.00 179.25 181.22 1kjp h HIS 142 N 0.35 0.50 -0.36 0.00 6.17 -0.59 -1.05 115.15 120.15 1kjp h HIS 142 Ca 0.05 -0.01 -0.09 0.00 0.71 0.00 0.00 60.37 61.03 1kjp h HIS 142 Cb 0.69 -0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.44 1kjp h HIS 142 CO 0.02 0.38 -0.12 0.93 0.71 0.00 0.00 177.93 179.85 1kjp h GLU 143 N 0.47 0.72 0.00 5.26 4.39 -0.86 -2.81 114.58 121.75 1kjp h GLU 143 Ca 0.13 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 1kjp h GLU 143 Cb 0.04 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1kjp h GLU 143 CO -0.02 0.89 -0.32 1.25 -1.16 0.00 0.00 179.01 179.65 1kjp h LEU 144 N 0.52 0.00 -1.20 1.33 5.85 -1.14 -2.05 115.31 118.62 1kjp h LEU 144 Ca 0.09 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1kjp h LEU 144 Cb 0.64 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1kjp h LEU 144 CO 0.04 0.32 -0.33 0.74 -0.34 0.00 0.00 178.44 178.87 1kjp h THR 145 N 0.00 0.91 -0.47 1.05 2.02 -0.99 -1.83 112.91 113.59 1kjp h THR 145 Ca -0.00 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 1kjp h THR 145 Cb 0.61 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1kjp h THR 145 CO 0.04 0.32 0.16 0.45 0.37 0.00 0.00 175.52 176.86 1kjp h HIS 146 N 0.00 0.69 -0.44 3.16 3.86 -1.12 0.11 115.15 121.42 1kjp h HIS 146 Ca -0.00 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 1kjp h HIS 146 Cb 0.74 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1kjp h HIS 146 CO 0.00 0.56 -0.10 0.00 0.86 0.00 0.00 177.93 179.25 1kjp h ALA 147 N 1.50 0.61 -0.44 2.45 0.00 -1.35 -1.05 119.26 120.98 1kjp h ALA 147 Ca 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1kjp h ALA 147 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1kjp h ALA 147 CO -0.01 0.49 0.26 0.28 0.00 0.00 0.00 179.25 180.26 1kjp h VAL 148 N 0.68 1.15 -0.68 0.00 2.07 -0.97 -2.26 116.25 116.24 1kjp h VAL 148 Ca 0.11 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1kjp h VAL 148 Cb 0.63 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1kjp h VAL 148 CO 0.04 0.15 0.39 0.74 0.02 0.00 0.00 177.57 178.91 1kjp h THR 149 N 0.58 1.21 -0.37 2.57 2.02 -0.81 -2.06 112.91 116.05 1kjp h THR 149 Ca 0.16 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1kjp h THR 149 Cb 0.02 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1kjp h THR 149 CO -0.03 0.22 0.24 0.44 0.37 0.00 0.00 175.52 176.77 1kjp h ASP 150 N 0.93 0.41 0.39 4.18 3.32 -0.83 0.16 116.42 124.97 1kjp h ASP 150 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1kjp h ASP 150 Cb 0.01 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1kjp h ASP 150 CO -0.04 0.29 -0.31 -1.22 -1.72 0.00 0.00 179.24 176.24 1kjp n TYR 151 N -4.48 0.00 0.00 4.55 4.02 -0.88 -4.31 117.16 116.05 1kjp n TYR 151 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1kjp n TYR 151 Cb 0.07 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 1kjp n TYR 151 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1kjp n THR 152 N -1.05 0.00 -0.19 -0.72 -2.24 -0.79 -4.91 114.28 104.38 1kjp n THR 152 Ca 0.10 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.90 1kjp n THR 152 Cb 0.33 -0.01 0.29 0.00 -2.10 0.00 0.00 70.33 68.84 1kjp n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kjp h ALA 153 N 0.48 1.55 -1.64 6.98 0.00 -1.54 -3.47 119.26 121.63 1kjp h ALA 153 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 1kjp h ALA 153 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1kjp h ALA 153 CO 0.00 0.40 -0.29 0.41 0.00 0.00 0.00 179.25 179.77 1kjp n GLY 154 N -1.43 -0.10 3.70 0.00 0.00 0.48 -2.10 105.19 105.74 1kjp n GLY 154 Ca 0.08 -0.41 -0.55 0.00 0.00 0.00 0.00 46.02 45.15 1kjp n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kjp n LEU 155 N -1.65 2.71 -4.75 0.99 4.77 -1.26 -4.30 117.00 113.52 1kjp n LEU 155 Ca -0.13 1.04 -0.41 0.00 -0.03 0.00 0.00 56.01 56.48 1kjp n LEU 155 Cb 0.60 -1.21 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 1kjp n LEU 155 CO 0.16 -0.31 1.19 -0.63 -1.33 0.00 0.00 177.39 176.46 1kjp s ILE 156 N 3.73 2.24 -1.60 -0.08 1.01 -0.34 -4.83 121.20 121.34 1kjp s ILE 156 Ca 0.97 0.21 -0.10 0.00 0.00 0.00 0.00 60.65 61.73 1kjp s ILE 156 Cb -0.96 -3.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.31 1kjp s ILE 156 CO 0.62 0.04 2.87 0.00 0.00 0.00 0.00 174.94 178.46 1kjp n TYR 157 N 1.97 2.53 -3.57 3.97 9.36 -1.26 -1.69 117.16 128.48 1kjp n TYR 157 Ca 0.07 -3.07 -0.17 0.00 3.32 0.00 0.00 57.90 58.05 1kjp n TYR 157 Cb 0.38 -2.47 -0.07 0.00 -0.63 0.00 0.00 39.34 36.56 1kjp n TYR 157 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1kjp s GLN 158 N 2.08 0.96 2.44 2.98 0.74 -1.26 -4.82 119.66 122.78 1kjp s GLN 158 Ca 0.67 0.33 0.00 0.00 0.05 0.00 0.00 55.36 56.41 1kjp s GLN 158 Cb 0.18 0.45 0.00 0.00 1.10 0.00 0.00 33.01 34.74 1kjp s GLN 158 CO -0.06 -0.27 0.00 0.09 -0.55 0.00 0.00 175.29 174.50 1kjp n ASN 159 N 1.29 0.00 -0.19 6.67 3.02 -0.25 -1.28 115.26 124.51 1kjp n ASN 159 Ca -0.18 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.34 1kjp n ASN 159 Cb 0.57 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.92 1kjp n ASN 159 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1kjp h GLU 160 N 0.00 0.95 -0.69 3.52 5.08 -1.91 -1.40 114.58 120.14 1kjp h GLU 160 Ca 0.00 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1kjp h GLU 160 Cb 0.00 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1kjp h GLU 160 CO 0.00 0.77 0.27 0.77 -1.00 0.00 0.00 179.01 179.82 1kjp h SER 161 N 0.94 0.94 0.08 1.42 0.02 -1.57 -1.62 113.55 113.75 1kjp h SER 161 Ca 0.22 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1kjp h SER 161 Cb 0.16 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1kjp h SER 161 CO -0.02 0.84 -0.47 1.23 -1.14 0.00 0.00 176.83 177.26 1kjp h GLY 162 N 1.07 0.50 1.48 -3.77 0.00 -0.27 -1.40 103.07 100.68 1kjp h GLY 162 Ca 0.23 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1kjp h GLY 162 CO -0.02 0.48 -0.25 0.00 0.00 0.00 0.00 176.54 176.75 1kjp h ALA 163 N 1.12 0.99 -0.40 3.60 0.00 -0.82 -0.99 119.26 122.77 1kjp h ALA 163 Ca 0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1kjp h ALA 163 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1kjp h ALA 163 CO 0.08 0.59 -0.11 0.82 0.00 0.00 0.00 179.25 180.64 1kjp h ILE 164 N 0.53 1.28 -0.34 0.00 2.04 -1.08 -0.33 117.51 119.60 1kjp h ILE 164 Ca 0.07 -1.21 0.06 0.00 1.00 0.00 0.00 64.86 64.79 1kjp h ILE 164 Cb 0.71 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1kjp h ILE 164 CO 0.05 0.41 -0.01 -1.13 0.00 0.00 0.00 178.15 177.47 1kjp h ASN 165 N 0.60 -0.16 -0.25 1.72 -0.73 -0.90 0.48 115.58 116.34 1kjp h ASN 165 Ca 0.10 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.34 1kjp h ASN 165 Cb 0.64 0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 1kjp h ASN 165 CO 0.04 -0.04 0.12 -0.33 -0.37 0.00 0.00 177.43 176.85 1kjp h GLU 166 N 0.08 0.36 -0.89 6.67 4.39 -0.99 -2.63 114.58 121.58 1kjp h GLU 166 Ca 0.16 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.82 1kjp h GLU 166 Cb 0.23 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1kjp h GLU 166 CO -0.29 0.36 0.59 0.00 -1.16 0.00 0.00 179.01 178.51 1kjp h ALA 167 N 0.98 1.13 -0.85 3.43 0.00 -0.56 -1.16 119.26 122.24 1kjp h ALA 167 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1kjp h ALA 167 Cb 0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1kjp h ALA 167 CO -0.01 0.52 0.55 0.82 0.00 0.00 0.00 179.25 181.13 1kjp h ILE 168 N 1.20 1.14 -0.31 0.00 1.08 -0.74 0.27 117.51 120.15 1kjp h ILE 168 Ca 0.33 -0.36 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 1kjp h ILE 168 Cb -0.13 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.59 1kjp h ILE 168 CO -0.08 0.19 -0.22 0.28 -0.69 0.00 0.00 178.15 177.63 1kjp h SER 169 N 1.06 0.59 -0.21 1.72 0.02 -1.00 -1.42 113.55 114.31 1kjp h SER 169 Ca 0.34 -0.20 -0.19 0.00 -0.84 0.00 0.00 61.79 60.90 1kjp h SER 169 Cb 0.00 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.39 1kjp h SER 169 CO -0.11 0.81 -0.63 0.44 -1.14 0.00 0.00 176.83 176.19 1kjp h ASP 170 N 0.52 0.91 0.46 3.07 3.32 -0.42 -0.74 116.42 123.54 1kjp h ASP 170 Ca 0.08 -0.59 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 1kjp h ASP 170 Cb 0.67 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1kjp h ASP 170 CO 0.05 1.34 -0.22 0.40 -1.72 0.00 0.00 179.24 179.09 1kjp h ILE 171 N 0.53 0.55 0.00 0.35 2.04 -0.34 -1.15 117.51 119.48 1kjp h ILE 171 Ca -0.02 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1kjp h ILE 171 Cb 1.25 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1kjp h ILE 171 CO 0.13 0.02 -0.28 -0.26 0.00 0.00 0.00 178.15 177.77 1kjp h PHE 172 N -0.68 0.00 -0.65 1.37 0.04 -1.35 -0.70 116.94 114.98 1kjp h PHE 172 Ca -0.06 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 1kjp h PHE 172 Cb 0.51 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 1kjp h PHE 172 CO -0.03 0.28 0.18 0.78 -0.60 0.00 0.00 178.31 178.92 1kjp h GLY 173 N 2.08 1.09 1.14 -1.45 0.00 -0.92 -0.90 103.07 104.13 1kjp h GLY 173 Ca -0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 47.33 46.49 1kjp h GLY 173 CO 0.04 0.62 -0.48 -0.84 0.00 0.00 0.00 176.54 175.88 1kjp h THR 174 N 0.94 1.27 -0.16 4.70 2.02 -0.80 -2.25 112.91 118.63 1kjp h THR 174 Ca 0.21 -1.65 -0.06 0.00 0.77 0.00 0.00 66.41 65.67 1kjp h THR 174 Cb 0.32 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1kjp h THR 174 CO -0.00 0.55 -0.19 -0.07 0.37 0.00 0.00 175.52 176.18 1kjp h LEU 175 N 0.72 0.26 -0.54 2.58 3.38 -0.90 -1.36 115.31 119.45 1kjp h LEU 175 Ca 0.04 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1kjp h LEU 175 Cb 1.08 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1kjp h LEU 175 CO 0.11 0.47 -0.60 0.58 0.09 0.00 0.00 178.44 179.09 1kjp h VAL 176 N 0.25 1.35 -0.73 1.22 2.07 -1.07 -0.51 116.25 118.84 1kjp h VAL 176 Ca 0.05 -1.91 -0.05 0.00 0.82 0.00 0.00 66.70 65.61 1kjp h VAL 176 Cb 0.48 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1kjp h VAL 176 CO 0.03 0.58 0.27 -0.08 0.02 0.00 0.00 177.57 178.39 1kjp h GLU 177 N 0.32 1.10 -0.26 1.57 4.81 -0.74 -0.96 114.58 120.42 1kjp h GLU 177 Ca -0.00 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 58.86 1kjp h GLU 177 Cb 1.13 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1kjp h GLU 177 CO 0.10 0.91 -0.50 0.74 -0.73 0.00 0.00 179.01 179.53 1kjp h PHE 178 N 1.07 0.89 -0.64 0.92 0.04 -1.08 -1.99 116.94 116.14 1kjp h PHE 178 Ca 0.24 -0.30 0.04 0.00 2.80 0.00 0.00 57.97 60.75 1kjp h PHE 178 Cb 0.24 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 1kjp h PHE 178 CO 0.02 1.07 0.39 -0.92 -0.60 0.00 0.00 178.31 178.27 1kjp h TYR 179 N 0.56 0.72 0.00 -0.55 3.20 -0.51 -1.15 116.97 119.23 1kjp h TYR 179 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1kjp h TYR 179 Cb 1.07 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1kjp h TYR 179 CO 0.06 0.40 0.00 0.00 -1.64 0.00 0.00 178.16 176.97 1kjp n ALA 180 N -2.31 2.25 -3.84 1.82 0.00 -0.42 -4.92 120.51 113.09 1kjp n ALA 180 Ca 0.07 -0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1kjp n ALA 180 Cb 0.10 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.14 1kjp n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1kjp n ASN 181 N -1.80 -4.79 -4.34 0.00 2.85 -0.44 -4.92 115.26 101.81 1kjp n ASN 181 Ca 0.06 -0.74 -0.46 0.00 -0.11 0.00 0.00 54.58 53.33 1kjp n ASN 181 Cb 0.36 -4.12 -0.02 0.00 1.24 0.00 0.00 39.78 37.24 1kjp n ASN 181 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1kjp s LYS 182 N -6.51 3.75 -1.18 1.20 2.20 -1.14 -4.67 119.74 113.39 1kjp s LYS 182 Ca 0.59 -2.59 -0.33 0.00 -0.36 0.00 0.00 55.97 53.28 1kjp s LYS 182 Cb -0.29 -4.50 0.05 0.00 -1.51 0.00 0.00 37.83 31.58 1kjp s LYS 182 CO 0.81 -1.32 0.63 0.09 -0.36 0.00 0.00 175.35 175.20 1kjp n ASN 183 N 3.89 -3.74 -4.76 1.43 3.02 -1.26 -4.82 115.26 109.01 1kjp n ASN 183 Ca 0.17 -1.26 -0.38 0.00 -0.03 0.00 0.00 54.58 53.08 1kjp n ASN 183 Cb 0.45 -1.52 0.01 0.00 -0.61 0.00 0.00 39.78 38.12 1kjp n ASN 183 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1kjp s PRO 184 N -7.42 3.49 0.39 3.52 0.04 -1.26 -5.04 135.00 128.73 1kjp s PRO 184 Ca 0.46 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 63.32 1kjp s PRO 184 Cb -0.26 -2.33 0.06 0.00 0.04 0.00 0.00 34.50 32.00 1kjp s PRO 184 CO 0.94 -0.83 0.78 0.16 0.04 0.00 0.00 177.00 178.09 1kjp s ASP 185 N -1.20 0.10 -0.34 6.66 1.47 -1.26 -5.04 116.67 117.05 1kjp s ASP 185 Ca 0.67 -1.23 0.08 0.00 1.18 0.00 0.00 52.55 53.25 1kjp s ASP 185 Cb -0.33 0.86 0.60 0.00 -0.34 0.00 0.00 42.92 43.70 1kjp s ASP 185 CO 0.40 -1.71 1.67 0.79 0.68 0.00 0.00 175.17 177.00 1kjp n TRP 186 N -0.54 1.96 -4.11 2.11 7.02 -1.26 -4.94 117.44 117.69 1kjp n TRP 186 Ca -0.08 -1.58 -0.24 0.00 -1.02 0.00 0.00 57.50 54.57 1kjp n TRP 186 Cb 0.60 -0.67 -0.05 0.00 -2.42 0.00 0.00 31.31 28.77 1kjp n TRP 186 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1kjp s GLU 187 N -3.20 2.88 -0.19 -0.99 0.41 -1.26 -0.76 118.70 115.59 1kjp s GLU 187 Ca 0.50 -0.97 -0.01 0.00 -0.41 0.00 0.00 54.97 54.08 1kjp s GLU 187 Cb 0.43 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1kjp s GLU 187 CO 0.06 0.44 -0.13 0.42 -0.49 0.00 0.00 175.26 175.57 1kjp s ILE 188 N -1.93 2.74 -0.03 -1.63 -1.09 0.14 -4.70 121.20 114.70 1kjp s ILE 188 Ca 0.32 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 1kjp s ILE 188 Cb -0.09 -2.19 0.00 0.00 -1.58 0.00 0.00 42.46 38.60 1kjp s ILE 188 CO 0.24 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 175.05 1kjp n GLY 189 N 4.50 0.47 0.34 6.18 0.00 -1.26 -1.66 105.19 113.76 1kjp n GLY 189 Ca -0.19 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 45.81 1kjp n GLY 189 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1kjp h GLU 190 N 0.75 0.03 0.00 1.61 9.09 -1.84 -1.92 114.58 122.31 1kjp h GLU 190 Ca -0.01 -0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 1kjp h GLU 190 Cb 0.09 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.18 1kjp h GLU 190 CO 0.01 0.02 -0.12 -0.44 0.05 0.00 0.00 179.01 178.53 1kjp h ASP 191 N 0.03 0.00 0.00 3.06 3.32 -1.92 -3.31 116.42 117.60 1kjp h ASP 191 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1kjp h ASP 191 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1kjp h ASP 191 CO -0.01 0.12 0.00 1.33 -1.72 0.00 0.00 179.24 178.96 1kjp n VAL 192 N -3.21 0.00 -3.36 -1.35 0.24 -0.94 -4.89 118.33 104.82 1kjp n VAL 192 Ca 0.01 -0.47 -0.38 0.00 -2.04 0.00 0.00 64.34 61.46 1kjp n VAL 192 Cb 0.43 1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 1kjp n VAL 192 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1kjp s TYR 193 N -0.02 3.66 -0.38 6.34 5.04 -0.77 -1.63 117.35 129.60 1kjp s TYR 193 Ca 0.00 1.03 -0.30 0.00 -2.44 0.00 0.00 57.07 55.36 1kjp s TYR 193 Cb 0.00 -2.45 0.04 0.00 0.35 0.00 0.00 41.96 39.90 1kjp s TYR 193 CO 0.00 0.43 0.53 0.25 -1.34 0.00 0.00 175.55 175.42 1kjp n THR 194 N 2.57 -3.03 0.29 4.34 -2.24 0.12 -4.81 114.28 111.52 1kjp n THR 194 Ca -0.10 0.05 0.18 0.00 -2.27 0.00 0.00 64.05 61.91 1kjp n THR 194 Cb 0.52 -2.76 0.99 0.00 -2.10 0.00 0.00 70.33 66.97 1kjp n THR 194 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1kjp h PRO 195 N 1.55 0.00 -0.02 -0.78 0.13 -1.82 -0.75 132.00 130.30 1kjp h PRO 195 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1kjp h PRO 195 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1kjp h PRO 195 CO 0.19 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.37 1kjp n GLY 196 N -1.26 -0.27 2.86 1.56 0.00 -1.26 -4.75 105.19 102.07 1kjp n GLY 196 Ca -0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1kjp n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kjp s ILE 197 N -1.98 0.72 0.17 -0.61 1.01 -0.29 -5.14 121.20 115.08 1kjp s ILE 197 Ca 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 1kjp s ILE 197 Cb 0.21 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 1kjp s ILE 197 CO 0.34 0.31 0.37 -0.94 0.00 0.00 0.00 174.94 175.01 1kjp s SER 198 N 1.68 6.41 0.00 3.58 1.04 -1.26 -4.43 113.70 120.72 1kjp s SER 198 Ca 0.02 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1kjp s SER 198 Cb -0.13 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1kjp s SER 198 CO -0.06 0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1kjp n GLY 199 N -0.38 0.92 3.92 7.32 0.00 -1.26 -5.04 105.19 110.67 1kjp n GLY 199 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1kjp n GLY 199 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1kjp s ASP 200 N -3.01 4.67 0.33 1.61 -4.77 -1.26 -5.15 116.67 109.08 1kjp s ASP 200 Ca 0.00 -1.22 -0.18 0.00 -3.30 0.00 0.00 52.55 47.84 1kjp s ASP 200 Cb 0.00 0.45 0.05 0.00 -1.09 0.00 0.00 42.92 42.32 1kjp s ASP 200 CO 0.00 -1.15 0.79 -0.94 0.70 0.00 0.00 175.17 174.57 1kjp s SER 201 N -4.33 -0.09 -0.01 2.11 1.04 -1.26 -4.56 113.70 106.60 1kjp s SER 201 Ca 0.36 -0.90 -0.19 0.00 0.48 0.00 0.00 55.95 55.70 1kjp s SER 201 Cb -0.03 0.77 -0.32 0.00 0.10 0.00 0.00 66.02 66.54 1kjp s SER 201 CO 0.23 -1.49 0.97 0.25 0.98 0.00 0.00 173.24 174.17 1kjp h LEU 202 N 2.00 0.65 -8.10 2.42 5.85 -1.59 -3.47 115.31 113.07 1kjp h LEU 202 Ca -0.27 -0.91 -0.13 0.00 0.84 0.00 0.00 57.88 57.41 1kjp h LEU 202 Cb 1.25 -0.21 -0.16 0.00 0.37 0.00 0.00 40.66 41.90 1kjp h LEU 202 CO 0.34 1.52 -0.64 -0.13 -0.34 0.00 0.00 178.44 179.19 1kjp s ARG 203 N -2.61 0.57 -0.07 1.25 0.52 -1.19 -4.97 118.95 112.45 1kjp s ARG 203 Ca -0.12 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.11 1kjp s ARG 203 Cb 0.03 0.20 0.01 0.00 0.52 0.00 0.00 34.95 35.71 1kjp s ARG 203 CO 0.88 -0.12 -0.14 0.45 0.02 0.00 0.00 175.30 176.40 1kjp s SER 204 N -2.51 1.91 -0.01 0.23 0.15 -1.26 -0.68 113.70 111.52 1kjp s SER 204 Ca 0.01 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.39 1kjp s SER 204 Cb 0.03 -0.85 -0.24 0.00 -1.71 0.00 0.00 66.02 63.25 1kjp s SER 204 CO -0.07 0.06 0.77 0.24 1.20 0.00 0.00 173.24 175.43 1kjp h MET 205 N 6.87 0.09 -0.11 5.44 0.00 -1.29 -2.67 114.93 123.26 1kjp h MET 205 Ca -0.30 -0.16 -0.15 0.00 0.00 0.00 0.00 59.70 59.10 1kjp h MET 205 Cb 1.19 0.06 -0.01 0.00 0.00 0.00 0.00 31.60 32.84 1kjp h MET 205 CO 0.47 0.81 -0.57 0.66 0.00 0.00 0.00 176.91 178.29 1kjp h SER 206 N 0.02 0.39 -1.54 1.22 4.64 -1.88 -3.32 113.55 113.09 1kjp h SER 206 Ca -0.25 -0.21 -0.35 0.00 -0.47 0.00 0.00 61.79 60.50 1kjp h SER 206 Cb 1.98 -0.11 -0.26 0.00 -0.31 0.00 0.00 62.40 63.69 1kjp h SER 206 CO 0.11 0.88 -0.72 -0.67 -0.87 0.00 0.00 176.83 175.55 1kjp n ASP 207 N -3.92 -2.04 -0.26 4.97 2.03 -1.26 -5.01 116.55 111.07 1kjp n ASP 207 Ca -0.03 -2.71 0.17 0.00 0.52 0.00 0.00 54.79 52.75 1kjp n ASP 207 Cb 0.60 0.70 0.47 0.00 -0.72 0.00 0.00 41.12 42.17 1kjp n ASP 207 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1kjp h PRO 208 N 5.14 0.47 0.00 -0.67 0.11 -1.68 -1.35 132.00 134.02 1kjp h PRO 208 Ca 0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1kjp h PRO 208 Cb 1.01 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1kjp h PRO 208 CO 0.20 0.31 -0.01 0.00 -0.21 0.00 0.00 178.00 178.30 1kjp h ALA 209 N 1.61 1.06 -0.59 -0.75 0.00 -1.76 -2.20 119.26 116.64 1kjp h ALA 209 Ca 0.48 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.50 1kjp h ALA 209 Cb 1.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1kjp h ALA 209 CO -0.21 0.01 0.40 -0.22 0.00 0.00 0.00 179.25 179.23 1kjp h LYS 210 N 0.00 0.27 -0.22 0.00 3.64 -1.53 -0.87 116.57 117.86 1kjp h LYS 210 Ca -0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1kjp h LYS 210 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1kjp h LYS 210 CO 0.00 0.18 -0.01 0.66 -2.27 0.00 0.00 179.45 178.02 1kjp n TYR 211 N -4.45 0.79 -0.70 1.91 4.01 -0.88 -4.96 117.16 112.88 1kjp n TYR 211 Ca 0.10 -0.96 0.00 0.00 -0.16 0.00 0.00 57.90 56.88 1kjp n TYR 211 Cb 0.46 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1kjp n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kjp n GLY 212 N -0.72 0.77 3.85 2.72 0.00 -0.33 -5.06 105.19 106.42 1kjp n GLY 212 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1kjp n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kjp s ASP 213 N -2.62 6.80 0.40 1.61 1.01 -0.91 -4.92 116.67 118.04 1kjp s ASP 213 Ca 0.00 1.17 -0.26 0.00 0.71 0.00 0.00 52.55 54.17 1kjp s ASP 213 Cb 0.00 -2.33 -0.09 0.00 1.01 0.00 0.00 42.92 41.51 1kjp s ASP 213 CO 0.00 -0.06 1.32 -2.16 0.21 0.00 0.00 175.17 174.48 1kjp s PRO 214 N -2.54 3.99 -0.09 8.23 0.04 -1.26 -2.31 135.00 141.07 1kjp s PRO 214 Ca 0.47 2.20 0.13 0.00 0.04 0.00 0.00 61.00 63.84 1kjp s PRO 214 Cb -0.13 -2.79 0.21 0.00 0.04 0.00 0.00 34.50 31.83 1kjp s PRO 214 CO 0.19 -0.49 1.09 -0.40 0.04 0.00 0.00 177.00 177.44 1kjp n ASP 215 N 0.19 1.98 -3.62 6.66 5.75 -1.26 -2.64 116.55 123.60 1kjp n ASP 215 Ca 0.03 -2.75 -0.15 0.00 -0.01 0.00 0.00 54.79 51.92 1kjp n ASP 215 Cb 0.43 -0.33 -0.07 0.00 -1.03 0.00 0.00 41.12 40.12 1kjp n ASP 215 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1kjp s HIS 216 N -2.20 -0.68 0.53 2.11 5.04 -1.26 -4.71 115.29 114.12 1kjp s HIS 216 Ca 0.23 1.54 0.22 0.00 -1.54 0.00 0.00 55.06 55.51 1kjp s HIS 216 Cb 0.20 0.28 1.36 0.00 0.04 0.00 0.00 32.58 34.46 1kjp s HIS 216 CO 0.02 -0.42 2.05 -0.92 -2.34 0.00 0.00 174.74 173.13 1kjp h TYR 217 N 4.50 0.00 0.00 3.88 3.20 -0.53 -0.68 116.97 127.33 1kjp h TYR 217 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1kjp h TYR 217 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1kjp h TYR 217 CO 0.40 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.58 1kjp h SER 218 N 0.00 0.00 -0.49 -2.11 4.64 -1.88 -2.53 113.55 111.17 1kjp h SER 218 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1kjp h SER 218 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1kjp h SER 218 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1kjp n LYS 219 N -2.70 3.36 -1.88 4.77 5.02 -0.26 -5.02 118.16 121.45 1kjp n LYS 219 Ca 0.01 -2.68 -0.38 0.00 -2.02 0.00 0.00 58.31 53.23 1kjp n LYS 219 Cb 0.22 -1.73 0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1kjp n LYS 219 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1kjp s ARG 220 N -1.85 3.28 0.02 1.97 1.70 -0.96 -4.68 118.95 118.43 1kjp s ARG 220 Ca 0.43 2.15 -0.29 0.00 -0.47 0.00 0.00 55.73 57.55 1kjp s ARG 220 Cb 0.28 -2.30 -0.04 0.00 -0.57 0.00 0.00 34.95 32.32 1kjp s ARG 220 CO 0.19 -1.05 0.92 -0.47 -1.08 0.00 0.00 175.30 173.81 1kjp s TYR 221 N -1.35 3.69 -0.60 5.89 5.04 -1.26 -4.95 117.35 123.81 1kjp s TYR 221 Ca 0.70 1.64 0.07 0.00 -2.44 0.00 0.00 57.07 57.03 1kjp s TYR 221 Cb -0.38 -3.03 0.18 0.00 0.35 0.00 0.00 41.96 39.08 1kjp s TYR 221 CO 0.45 0.08 1.12 0.25 -1.34 0.00 0.00 175.55 176.12 1kjp n THR 222 N 3.52 0.92 -0.99 4.34 -2.24 -1.26 -4.84 114.28 113.74 1kjp n THR 222 Ca 0.03 -0.96 -0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1kjp n THR 222 Cb 0.51 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1kjp n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kjp n GLY 223 N 0.15 -1.18 0.00 3.38 0.00 -1.26 -5.03 105.19 101.26 1kjp n GLY 223 Ca 0.07 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.51 1kjp n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kjp n THR 224 N -2.03 0.00 -1.69 2.61 -2.24 -1.26 -4.26 114.28 105.42 1kjp n THR 224 Ca 0.00 -0.11 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 1kjp n THR 224 Cb 0.00 0.94 0.06 0.00 -2.10 0.00 0.00 70.33 69.23 1kjp n THR 224 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1kjp s GLN 225 N -2.67 2.62 -1.41 -0.78 -0.21 -1.26 -3.10 119.66 112.84 1kjp s GLN 225 Ca 0.06 1.54 -0.07 0.00 0.02 0.00 0.00 55.36 56.90 1kjp s GLN 225 Cb 0.13 -1.91 0.04 0.00 1.00 0.00 0.00 33.01 32.27 1kjp s GLN 225 CO 0.71 -1.42 0.90 -3.47 -2.12 0.00 0.00 175.29 169.89 1kjp n ASP 226 N -2.43 -3.47 -3.45 5.90 2.03 -1.26 -0.53 116.55 113.34 1kjp n ASP 226 Ca 0.11 -0.76 -0.25 0.00 0.52 0.00 0.00 54.79 54.41 1kjp n ASP 226 Cb 0.51 -4.14 0.02 0.00 -0.72 0.00 0.00 41.12 36.79 1kjp n ASP 226 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kjp n ASN 227 N -2.95 -4.75 0.00 1.67 3.02 -1.23 -1.25 115.26 109.76 1kjp n ASN 227 Ca -0.11 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1kjp n ASN 227 Cb 0.59 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1kjp n ASN 227 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kjp n GLY 228 N -1.44 0.85 2.11 7.41 0.00 -0.48 -1.09 105.19 112.54 1kjp n GLY 228 Ca -0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 1kjp n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kjp n GLY 229 N -1.92 0.50 0.26 -0.02 0.00 0.31 -4.41 105.19 99.91 1kjp n GLY 229 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.65 1kjp n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1kjp h VAL 230 N -0.75 1.11 -0.01 1.61 -1.51 -1.45 0.15 116.25 115.39 1kjp h VAL 230 Ca -0.16 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1kjp h VAL 230 Cb 1.11 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1kjp h VAL 230 CO 0.16 0.14 -0.16 1.41 -1.23 0.00 0.00 177.57 177.89 1kjp n HIS 231 N -4.39 0.00 -0.10 5.19 8.25 -1.26 -3.63 115.22 119.28 1kjp n HIS 231 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.30 1kjp n HIS 231 Cb 0.17 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.19 1kjp n HIS 231 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1kjp n ILE 232 N -0.02 1.46 0.53 1.59 5.41 -0.59 -4.52 119.36 123.22 1kjp n ILE 232 Ca 0.14 -0.02 0.07 0.00 1.00 0.00 0.00 62.75 63.95 1kjp n ILE 232 Cb 0.40 -2.15 0.32 0.00 -0.71 0.00 0.00 39.64 37.50 1kjp n ILE 232 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1kjp n ASN 233 N -4.32 0.00 0.29 4.38 3.02 0.41 -2.02 115.26 117.02 1kjp n ASN 233 Ca -0.26 0.44 0.16 0.00 -0.03 0.00 0.00 54.58 54.90 1kjp n ASN 233 Cb 0.61 -0.47 0.87 0.00 -0.61 0.00 0.00 39.78 40.18 1kjp n ASN 233 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1kjp h SER 234 N 0.00 0.00 -0.19 6.41 4.64 -1.75 -2.25 113.55 120.41 1kjp h SER 234 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kjp h SER 234 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1kjp h SER 234 CO 0.00 0.06 0.13 1.23 -0.87 0.00 0.00 176.83 177.37 1kjp h GLY 235 N 0.79 0.26 1.03 -0.77 0.00 -1.60 0.76 103.07 103.55 1kjp h GLY 235 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1kjp h GLY 235 CO 0.01 0.09 0.04 -2.22 0.00 0.00 0.00 176.54 174.46 1kjp h ILE 236 N 0.25 1.26 0.09 2.60 2.04 -1.16 -1.14 117.51 121.45 1kjp h ILE 236 Ca 0.07 -1.05 -0.28 0.00 1.00 0.00 0.00 64.86 64.60 1kjp h ILE 236 Cb -0.01 0.85 0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1kjp h ILE 236 CO -0.02 0.38 -1.17 0.40 0.00 0.00 0.00 178.15 177.74 1kjp h ILE 237 N 0.84 1.33 -0.87 -0.67 1.08 -1.53 -2.86 117.51 114.84 1kjp h ILE 237 Ca 0.16 -2.51 0.01 0.00 -0.39 0.00 0.00 64.86 62.13 1kjp h ILE 237 Cb 0.48 2.64 -0.04 0.00 -3.07 0.00 0.00 36.82 36.83 1kjp h ILE 237 CO 0.02 0.76 0.57 0.78 -0.69 0.00 0.00 178.15 179.59 1kjp h ASN 238 N 0.26 0.99 -0.59 1.72 2.35 -0.78 0.01 115.58 119.54 1kjp h ASN 238 Ca -0.16 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1kjp h ASN 238 Cb 1.84 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.94 1kjp h ASN 238 CO 0.22 0.72 0.19 0.50 -1.65 0.00 0.00 177.43 177.41 1kjp h LYS 239 N 1.17 0.91 -0.69 0.81 1.63 -1.24 -0.47 116.57 118.68 1kjp h LYS 239 Ca 0.32 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1kjp h LYS 239 Cb -0.13 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.33 1kjp h LYS 239 CO -0.07 0.81 0.40 0.00 -3.45 0.00 0.00 179.45 177.14 1kjp h ALA 240 N 1.06 0.88 -0.57 5.00 0.00 -1.14 -0.52 119.26 123.97 1kjp h ALA 240 Ca 0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1kjp h ALA 240 Cb 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1kjp h ALA 240 CO -0.01 0.37 0.22 0.00 0.00 0.00 0.00 179.25 179.83 1kjp h ALA 241 N 1.21 0.74 -0.65 0.00 0.00 -0.69 -0.98 119.26 118.88 1kjp h ALA 241 Ca 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1kjp h ALA 241 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1kjp h ALA 241 CO -0.04 0.35 0.38 -0.92 0.00 0.00 0.00 179.25 179.02 1kjp h TYR 242 N 0.78 0.86 -0.58 0.00 3.20 -0.66 -2.28 116.97 118.29 1kjp h TYR 242 Ca 0.19 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1kjp h TYR 242 Cb 0.21 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1kjp h TYR 242 CO 0.01 0.60 0.09 -0.07 -1.64 0.00 0.00 178.16 177.15 1kjp h LEU 243 N 0.88 0.91 -0.72 2.82 3.38 -0.79 0.14 115.31 121.93 1kjp h LEU 243 Ca 0.23 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1kjp h LEU 243 Cb -0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1kjp h LEU 243 CO -0.04 0.94 0.45 0.40 0.09 0.00 0.00 178.44 180.28 1kjp h ILE 244 N 0.85 1.09 0.05 1.22 2.04 -0.93 0.41 117.51 122.24 1kjp h ILE 244 Ca 0.17 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1kjp h ILE 244 Cb 0.42 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1kjp h ILE 244 CO 0.01 0.16 -0.03 -1.28 0.00 0.00 0.00 178.15 177.02 1kjp h SER 245 N 0.88 -0.06 0.59 1.72 0.87 -1.19 0.31 113.55 116.67 1kjp h SER 245 Ca 0.29 -0.55 -0.06 0.00 -1.23 0.00 0.00 61.79 60.24 1kjp h SER 245 Cb 0.03 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1kjp h SER 245 CO -0.11 0.65 -1.46 0.00 -0.53 0.00 0.00 176.83 175.38 1kjp n GLN 246 N -4.77 0.63 -0.05 2.24 1.13 0.45 -1.14 117.38 115.88 1kjp n GLN 246 Ca -0.07 0.04 0.01 0.00 -1.94 0.00 0.00 57.00 55.04 1kjp n GLN 246 Cb 0.30 -1.72 -0.00 0.00 0.11 0.00 0.00 30.24 28.93 1kjp n GLN 246 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kjp n GLY 247 N 1.29 -1.58 0.00 1.08 0.00 0.14 -4.34 105.19 101.77 1kjp n GLY 247 Ca -0.05 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1kjp n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kjp n GLY 248 N -1.75 2.03 3.25 -0.02 0.00 -0.27 -4.76 105.19 103.68 1kjp n GLY 248 Ca -0.00 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1kjp n GLY 248 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kjp s THR 249 N -1.51 2.86 -0.11 2.61 2.01 -1.26 -0.20 115.64 120.05 1kjp s THR 249 Ca 0.00 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1kjp s THR 249 Cb 0.00 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.27 1kjp s THR 249 CO 0.00 0.48 -0.12 -2.28 -0.69 0.00 0.00 174.62 172.01 1kjp s HIS 250 N 1.29 1.75 -1.55 4.92 5.04 -0.28 -4.74 115.29 121.72 1kjp s HIS 250 Ca 0.03 -0.86 -0.14 0.00 -1.54 0.00 0.00 55.06 52.55 1kjp s HIS 250 Cb -0.14 -1.34 0.09 0.00 0.04 0.00 0.00 32.58 31.24 1kjp s HIS 250 CO -0.06 -0.51 0.96 0.66 -2.34 0.00 0.00 174.74 173.46 1kjp n TYR 251 N 4.56 -2.25 -0.51 3.88 4.01 -1.26 -1.44 117.16 124.15 1kjp n TYR 251 Ca -0.17 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.46 1kjp n TYR 251 Cb 0.51 -3.87 0.00 0.00 -0.31 0.00 0.00 39.34 35.67 1kjp n TYR 251 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kjp n GLY 252 N -1.66 1.60 3.56 2.72 0.00 -1.26 -5.02 105.19 105.13 1kjp n GLY 252 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1kjp n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kjp s VAL 253 N -3.37 4.74 -0.09 1.61 1.01 -0.52 -5.08 120.40 118.69 1kjp s VAL 253 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1kjp s VAL 253 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1kjp s VAL 253 CO 0.00 0.37 0.43 -0.44 0.00 0.00 0.00 175.10 175.46 1kjp s SER 254 N 1.09 6.69 -0.08 3.32 0.01 -1.26 -1.13 113.70 122.34 1kjp s SER 254 Ca 0.05 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.16 1kjp s SER 254 Cb -0.14 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1kjp s SER 254 CO 0.04 0.12 -0.21 -0.69 0.41 0.00 0.00 173.24 172.90 1kjp s VAL 255 N 0.08 1.78 -0.29 3.43 1.01 0.73 -4.91 120.40 122.24 1kjp s VAL 255 Ca 0.24 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 1kjp s VAL 255 Cb -0.15 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1kjp s VAL 255 CO 0.10 0.50 0.59 -0.69 0.00 0.00 0.00 175.10 175.60 1kjp s VAL 256 N 0.28 4.99 0.39 2.92 1.01 -1.26 -1.12 120.40 127.60 1kjp s VAL 256 Ca -0.13 0.88 -0.26 0.00 0.00 0.00 0.00 61.98 62.46 1kjp s VAL 256 Cb -0.16 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 1kjp s VAL 256 CO 0.06 -0.05 1.26 -0.83 0.00 0.00 0.00 175.10 175.54 1kjp s GLY 257 N 1.59 2.93 0.00 4.51 0.00 -1.26 -4.75 107.32 110.34 1kjp s GLY 257 Ca 0.24 1.16 0.07 0.00 0.00 0.00 0.00 44.72 46.18 1kjp s GLY 257 CO 0.10 1.74 0.75 0.29 0.00 0.00 0.00 173.10 175.98 1kjp n ILE 258 N 0.28 0.06 0.00 0.90 -5.35 0.10 -4.86 119.36 110.49 1kjp n ILE 258 Ca 0.03 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1kjp n ILE 258 Cb 0.44 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 1kjp n ILE 258 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kjp n GLY 259 N 0.38 1.45 0.29 3.28 0.00 -0.29 -4.54 105.19 105.76 1kjp n GLY 259 Ca 0.04 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 1kjp n GLY 259 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kjp h ARG 260 N 0.00 0.94 -0.33 1.61 3.08 -1.93 -2.41 114.38 115.33 1kjp h ARG 260 Ca 0.00 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 1kjp h ARG 260 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1kjp h ARG 260 CO 0.00 0.99 0.18 -0.44 -1.07 0.00 0.00 179.97 179.63 1kjp h ASP 261 N 0.85 0.42 -0.14 7.04 3.32 -1.99 -0.82 116.42 125.10 1kjp h ASP 261 Ca 0.14 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1kjp h ASP 261 Cb 0.62 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1kjp h ASP 261 CO 0.04 0.39 -0.29 0.11 -1.72 0.00 0.00 179.24 177.77 1kjp h LYS 262 N 0.41 0.61 -0.31 3.56 1.57 -1.79 -1.46 116.57 119.16 1kjp h LYS 262 Ca 0.12 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1kjp h LYS 262 Cb 0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1kjp h LYS 262 CO -0.02 0.83 0.15 1.25 -0.57 0.00 0.00 179.45 181.09 1kjp h LEU 263 N 0.53 0.22 -0.64 2.94 5.85 -1.13 -0.36 115.31 122.72 1kjp h LEU 263 Ca 0.07 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1kjp h LEU 263 Cb 0.76 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1kjp h LEU 263 CO 0.06 0.17 0.36 1.23 -0.34 0.00 0.00 178.44 179.92 1kjp h GLY 264 N 0.32 0.95 0.99 3.75 0.00 -0.84 -1.26 103.07 106.98 1kjp h GLY 264 Ca 0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1kjp h GLY 264 CO -0.09 0.41 0.18 0.50 0.00 0.00 0.00 176.54 177.54 1kjp h LYS 265 N 0.88 0.84 -0.14 4.80 1.57 -0.90 -0.29 116.57 123.33 1kjp h LYS 265 Ca 0.23 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1kjp h LYS 265 Cb 0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1kjp h LYS 265 CO -0.04 0.76 0.02 0.82 -0.57 0.00 0.00 179.45 180.45 1kjp h ILE 266 N 0.76 1.22 -0.04 1.86 2.04 -0.86 -2.37 117.51 120.11 1kjp h ILE 266 Ca 0.18 -0.68 -0.13 0.00 1.00 0.00 0.00 64.86 65.22 1kjp h ILE 266 Cb 0.27 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1kjp h ILE 266 CO -0.01 0.20 -0.59 -0.26 0.00 0.00 0.00 178.15 177.49 1kjp h PHE 267 N 0.01 0.16 -0.49 1.37 -1.00 -1.18 -1.86 116.94 113.95 1kjp h PHE 267 Ca 0.04 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.65 1kjp h PHE 267 Cb 0.29 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1kjp h PHE 267 CO 0.02 0.69 -0.13 -0.92 -1.61 0.00 0.00 178.31 176.35 1kjp h TYR 268 N 0.09 1.07 -0.52 -0.55 3.20 -1.04 -0.52 116.97 118.70 1kjp h TYR 268 Ca -0.01 -0.23 -0.09 0.00 3.14 0.00 0.00 58.73 61.54 1kjp h TYR 268 Cb 1.07 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1kjp h TYR 268 CO 0.01 1.03 -0.02 -0.09 -1.64 0.00 0.00 178.16 177.45 1kjp h ARG 269 N 0.80 0.93 -0.47 1.82 2.43 -1.33 -1.12 114.38 117.45 1kjp h ARG 269 Ca 0.12 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1kjp h ARG 269 Cb 0.69 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1kjp h ARG 269 CO 0.05 0.96 0.24 0.00 -1.51 0.00 0.00 179.97 179.72 1kjp h ALA 270 N 0.94 0.60 -0.53 2.80 0.00 -1.17 0.18 119.26 122.08 1kjp h ALA 270 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1kjp h ALA 270 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1kjp h ALA 270 CO 0.03 0.13 0.27 1.25 0.00 0.00 0.00 179.25 180.93 1kjp h LEU 271 N 0.61 0.69 0.00 0.00 5.85 -0.88 -0.87 115.31 120.70 1kjp h LEU 271 Ca 0.16 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1kjp h LEU 271 Cb 0.08 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1kjp h LEU 271 CO -0.02 0.61 -0.73 0.35 -0.34 0.00 0.00 178.44 178.31 1kjp n THR 272 N -4.59 0.29 -0.00 1.05 -2.24 -0.44 -3.42 114.28 104.92 1kjp n THR 272 Ca 0.03 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1kjp n THR 272 Cb 0.11 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.31 1kjp n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kjp n GLN 273 N -2.05 3.63 -0.02 -0.78 1.13 0.04 -4.93 117.38 114.42 1kjp n GLN 273 Ca 0.03 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.08 1kjp n GLN 273 Cb 0.43 -1.02 -0.03 0.00 0.11 0.00 0.00 30.24 29.74 1kjp n GLN 273 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1kjp n TYR 274 N -2.06 0.00 -2.50 1.08 4.01 -0.75 -5.05 117.16 111.90 1kjp n TYR 274 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.39 1kjp n TYR 274 Cb 0.52 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 1kjp n TYR 274 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1kjp s LEU 275 N -4.18 3.82 0.37 7.72 1.43 -0.41 -5.01 118.68 122.43 1kjp s LEU 275 Ca -0.02 1.94 0.04 0.00 -1.03 0.00 0.00 54.13 55.06 1kjp s LEU 275 Cb 0.01 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.62 1kjp s LEU 275 CO 0.14 -0.83 0.07 0.42 0.23 0.00 0.00 176.35 176.38 1kjp s THR 276 N -1.99 1.07 0.51 5.49 -4.23 -1.26 -4.58 115.64 110.66 1kjp s THR 276 Ca 0.67 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.40 1kjp s THR 276 Cb -0.17 -2.63 0.36 0.00 1.34 0.00 0.00 72.50 71.40 1kjp s THR 276 CO 0.21 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.67 1kjp h PRO 277 N 1.94 0.06 -0.41 3.99 0.11 -1.61 -2.78 132.00 133.30 1kjp h PRO 277 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1kjp h PRO 277 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1kjp h PRO 277 CO 0.67 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 1kjp n THR 278 N -4.43 1.73 -1.72 -1.15 -2.24 -1.26 -1.20 114.28 104.02 1kjp n THR 278 Ca 0.07 -1.37 -0.43 0.00 -2.27 0.00 0.00 64.05 60.05 1kjp n THR 278 Cb 0.46 0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1kjp n THR 278 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kjp n SER 279 N 0.34 3.23 -4.46 3.42 7.64 -1.05 -4.83 113.62 117.90 1kjp n SER 279 Ca 0.20 1.18 -0.21 0.00 1.01 0.00 0.00 58.87 61.05 1kjp n SER 279 Cb 0.74 -1.52 0.02 0.00 -1.01 0.00 0.00 64.21 62.43 1kjp n SER 279 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1kjp n ASN 280 N 1.39 2.34 -0.22 6.43 0.23 -1.26 -3.51 115.26 120.65 1kjp n ASN 280 Ca 0.07 -2.55 -0.01 0.00 -0.53 0.00 0.00 54.58 51.55 1kjp n ASN 280 Cb 0.36 -0.12 0.10 0.00 -2.08 0.00 0.00 39.78 38.03 1kjp n ASN 280 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 1kjp h PHE 281 N 0.50 0.62 -0.73 -2.53 -1.00 -1.95 -0.70 116.94 111.14 1kjp h PHE 281 Ca -0.28 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.51 1kjp h PHE 281 Cb 1.09 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 40.43 1kjp h PHE 281 CO 0.00 0.28 0.40 1.03 -1.61 0.00 0.00 178.31 178.41 1kjp h SER 282 N 0.62 0.90 0.70 2.17 0.87 -1.94 -1.18 113.55 115.68 1kjp h SER 282 Ca 0.30 -0.07 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 1kjp h SER 282 Cb 0.22 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1kjp h SER 282 CO -0.20 0.72 -0.64 1.56 -0.53 0.00 0.00 176.83 177.74 1kjp h GLN 283 N 1.02 0.00 -0.54 2.24 4.20 -1.77 -2.37 115.11 117.89 1kjp h GLN 283 Ca 0.26 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 1kjp h GLN 283 Cb 0.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1kjp h GLN 283 CO -0.04 0.64 0.00 1.25 -0.67 0.00 0.00 178.83 180.00 1kjp h LEU 284 N 0.00 0.93 -0.29 1.46 5.85 -0.33 0.37 115.31 123.30 1kjp h LEU 284 Ca -0.01 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1kjp h LEU 284 Cb 1.16 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1kjp h LEU 284 CO 0.08 1.01 0.16 -0.09 -0.34 0.00 0.00 178.44 179.27 1kjp h ARG 285 N 0.83 0.33 -0.77 1.25 2.43 -1.02 0.11 114.38 117.53 1kjp h ARG 285 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1kjp h ARG 285 Cb 0.53 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1kjp h ARG 285 CO 0.03 0.22 0.49 0.00 -1.51 0.00 0.00 179.97 179.19 1kjp h ALA 286 N 1.14 0.98 -0.69 2.80 0.00 -1.16 -0.50 119.26 121.83 1kjp h ALA 286 Ca 0.12 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1kjp h ALA 286 Cb 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1kjp h ALA 286 CO -0.06 0.42 0.13 0.00 0.00 0.00 0.00 179.25 179.74 1kjp h ALA 287 N 1.27 0.91 -0.41 0.00 0.00 -0.42 -1.01 119.26 119.61 1kjp h ALA 287 Ca 0.28 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1kjp h ALA 287 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1kjp h ALA 287 CO -0.06 0.67 -0.24 0.00 0.00 0.00 0.00 179.25 179.63 1kjp h ALA 288 N 1.06 0.58 -0.53 0.00 0.00 -0.38 -0.91 119.26 119.09 1kjp h ALA 288 Ca 0.21 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1kjp h ALA 288 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1kjp h ALA 288 CO 0.01 0.57 0.11 0.28 0.00 0.00 0.00 179.25 180.22 1kjp h VAL 289 N 0.70 1.25 -0.54 0.00 2.07 -0.96 -1.05 116.25 117.71 1kjp h VAL 289 Ca 0.09 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 1kjp h VAL 289 Cb 0.81 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1kjp h VAL 289 CO 0.07 0.33 -0.04 -0.61 0.02 0.00 0.00 177.57 177.33 1kjp h GLN 290 N 0.75 0.95 -0.40 1.57 5.75 -1.11 -0.79 115.11 121.83 1kjp h GLN 290 Ca 0.16 -0.31 -0.04 0.00 -0.15 0.00 0.00 58.65 58.32 1kjp h GLN 290 Cb 0.37 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1kjp h GLN 290 CO 0.01 0.97 0.09 0.77 -2.65 0.00 0.00 178.83 178.01 1kjp h SER 291 N 0.87 0.62 -0.06 -0.69 0.02 -0.94 -0.25 113.55 113.12 1kjp h SER 291 Ca 0.15 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1kjp h SER 291 Cb 0.57 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1kjp h SER 291 CO 0.03 0.70 -0.13 0.00 -1.14 0.00 0.00 176.83 176.30 1kjp h ALA 292 N 0.94 1.35 -0.31 3.77 0.00 -1.05 -2.11 119.26 121.86 1kjp h ALA 292 Ca 0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1kjp h ALA 292 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1kjp h ALA 292 CO 0.00 0.44 -0.04 1.15 0.00 0.00 0.00 179.25 180.80 1kjp h THR 293 N 0.36 1.27 -0.64 0.00 2.02 -0.65 0.70 112.91 115.97 1kjp h THR 293 Ca 0.07 -1.04 0.02 0.00 0.77 0.00 0.00 66.41 66.23 1kjp h THR 293 Cb 0.45 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 1kjp h THR 293 CO 0.03 0.34 0.41 0.44 0.37 0.00 0.00 175.52 177.10 1kjp h ASP 294 N 0.35 0.69 0.63 4.18 3.32 -0.71 -0.58 116.42 124.30 1kjp h ASP 294 Ca 0.08 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 56.85 1kjp h ASP 294 Cb 0.51 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1kjp h ASP 294 CO 0.02 0.49 -1.29 -0.07 -1.72 0.00 0.00 179.24 176.68 1kjp h LEU 295 N 0.83 0.37 -0.28 1.55 3.38 -1.31 -3.41 115.31 116.43 1kjp h LEU 295 Ca 0.25 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1kjp h LEU 295 Cb -0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1kjp h LEU 295 CO -0.08 1.33 0.00 -1.22 0.09 0.00 0.00 178.44 178.56 1kjp n TYR 296 N -3.49 0.00 0.00 1.13 4.01 0.23 -5.10 117.16 113.94 1kjp n TYR 296 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1kjp n TYR 296 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 1kjp n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kjp n GLY 297 N 0.44 2.28 0.27 2.72 0.00 -0.23 -4.46 105.19 106.22 1kjp n GLY 297 Ca 0.00 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.48 1kjp n GLY 297 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kjp h SER 298 N 0.00 0.00 -0.45 1.61 4.64 -1.89 -2.57 113.55 114.89 1kjp h SER 298 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1kjp h SER 298 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1kjp h SER 298 CO 0.00 0.08 0.03 0.35 -0.87 0.00 0.00 176.83 176.43 1kjp n THR 299 N -3.65 2.58 -2.09 2.95 -2.24 -1.26 -4.87 114.28 105.71 1kjp n THR 299 Ca -0.02 -1.70 -0.29 0.00 -2.27 0.00 0.00 64.05 59.76 1kjp n THR 299 Cb 0.19 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.16 1kjp n THR 299 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1kjp s SER 300 N -1.39 5.90 0.28 3.42 1.04 -0.97 -4.97 113.70 117.01 1kjp s SER 300 Ca 0.49 1.14 0.04 0.00 0.48 0.00 0.00 55.95 58.10 1kjp s SER 300 Cb 0.39 -2.15 0.41 0.00 0.10 0.00 0.00 66.02 64.77 1kjp s SER 300 CO 0.12 -0.99 1.69 -0.61 0.98 0.00 0.00 173.24 174.43 1kjp h GLN 301 N -0.30 0.37 -0.31 4.02 5.75 -1.91 -2.64 115.11 120.08 1kjp h GLN 301 Ca -0.45 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 57.91 1kjp h GLN 301 Cb 1.22 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.73 1kjp h GLN 301 CO 0.62 0.68 0.13 0.93 -2.65 0.00 0.00 178.83 178.54 1kjp h GLU 302 N 0.32 0.28 -0.60 1.69 3.07 -1.93 1.00 114.58 118.40 1kjp h GLU 302 Ca 0.04 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 1kjp h GLU 302 Cb 0.78 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 1kjp h GLU 302 CO 0.06 0.18 0.11 0.28 -1.40 0.00 0.00 179.01 178.24 1kjp h VAL 303 N 0.28 1.26 -0.66 3.13 2.07 -1.80 -2.12 116.25 118.41 1kjp h VAL 303 Ca 0.14 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1kjp h VAL 303 Cb 0.08 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1kjp h VAL 303 CO -0.12 0.36 0.44 0.00 0.02 0.00 0.00 177.57 178.27 1kjp h ALA 304 N 1.02 0.84 -0.37 1.67 0.00 -1.05 -2.08 119.26 119.29 1kjp h ALA 304 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1kjp h ALA 304 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1kjp h ALA 304 CO 0.01 0.26 -0.12 0.77 0.00 0.00 0.00 179.25 180.17 1kjp h SER 305 N 0.89 0.63 -0.38 0.00 0.02 -0.62 -1.04 113.55 113.05 1kjp h SER 305 Ca 0.24 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1kjp h SER 305 Cb -0.09 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1kjp h SER 305 CO -0.06 0.78 0.04 0.58 -1.14 0.00 0.00 176.83 177.03 1kjp h VAL 306 N 0.59 1.25 -0.51 2.27 2.07 -1.04 -1.06 116.25 119.80 1kjp h VAL 306 Ca 0.10 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1kjp h VAL 306 Cb 0.55 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1kjp h VAL 306 CO 0.03 0.31 0.22 0.11 0.02 0.00 0.00 177.57 178.26 1kjp h LYS 307 N 0.48 0.76 -0.74 1.57 1.57 -1.17 -2.41 116.57 116.63 1kjp h LYS 307 Ca 0.11 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1kjp h LYS 307 Cb 0.41 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1kjp h LYS 307 CO 0.01 0.66 0.36 1.96 -0.57 0.00 0.00 179.45 181.87 1kjp h GLN 308 N 0.69 1.07 -0.37 3.15 1.08 -1.06 -1.09 115.11 118.58 1kjp h GLN 308 Ca 0.17 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1kjp h GLN 308 Cb 0.17 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1kjp h GLN 308 CO -0.02 0.84 0.17 0.00 -0.95 0.00 0.00 178.83 178.87 1kjp h ALA 309 N 1.18 0.48 -0.05 3.87 0.00 -1.01 -0.03 119.26 123.70 1kjp h ALA 309 Ca 0.26 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1kjp h ALA 309 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1kjp h ALA 309 CO -0.03 0.05 -0.47 0.74 0.00 0.00 0.00 179.25 179.54 1kjp h PHE 310 N 0.45 0.15 -0.64 0.00 0.04 -1.30 -2.60 116.94 113.05 1kjp h PHE 310 Ca 0.13 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 1kjp h PHE 310 Cb 0.14 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1kjp h PHE 310 CO -0.01 0.58 0.04 -0.44 -0.60 0.00 0.00 178.31 177.87 1kjp h ASP 311 N 0.10 1.07 -0.73 2.17 3.32 -0.80 -0.22 116.42 121.32 1kjp h ASP 311 Ca 0.00 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 56.78 1kjp h ASP 311 Cb 0.87 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 1kjp h ASP 311 CO 0.07 1.09 0.49 0.00 -1.72 0.00 0.00 179.24 179.17 1kjp h ALA 312 N 1.02 1.52 -0.57 3.45 0.00 -0.63 -1.84 119.26 122.20 1kjp h ALA 312 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1kjp h ALA 312 Cb 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1kjp h ALA 312 CO 0.03 0.43 0.00 1.33 0.00 0.00 0.00 179.25 181.03 1kjp n VAL 313 N -4.44 0.82 -1.41 0.00 0.24 -1.07 -4.72 118.33 107.76 1kjp n VAL 313 Ca 0.09 -0.78 -0.06 0.00 -2.04 0.00 0.00 64.34 61.54 1kjp n VAL 313 Cb 0.07 0.36 -0.02 0.00 -1.47 0.00 0.00 33.84 32.78 1kjp n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kjp n GLY 314 N 1.37 0.69 3.47 7.63 0.00 -0.69 0.18 105.19 117.84 1kjp n GLY 314 Ca 0.19 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1kjp n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kjp s VAL 315 N -2.26 5.05 -2.44 1.61 1.01 -0.13 -4.65 120.40 118.58 1kjp s VAL 315 Ca 0.00 -0.46 0.20 0.00 0.00 0.00 0.00 61.98 61.71 1kjp s VAL 315 Cb 0.00 -3.68 0.15 0.00 0.00 0.00 0.00 36.38 32.86 1kjp s VAL 315 CO 0.00 -0.11 1.12 1.17 0.00 0.00 0.00 175.10 177.28