#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j22 s SER 14 N 0.00 2.82 -0.94 -1.43 0.15 0.32 -4.95 113.70 109.67 2j22 s SER 14 Ca 0.00 -0.64 -0.20 0.00 0.70 0.00 0.00 55.95 55.81 2j22 s SER 14 Cb 0.00 -0.20 0.10 0.00 -1.71 0.00 0.00 66.02 64.21 2j22 s SER 14 CO 0.00 0.15 1.22 0.21 1.20 0.00 0.00 173.24 176.02 2j22 s ASN 15 N -1.63 6.56 0.00 5.45 2.47 -1.26 -1.70 114.94 124.82 2j22 s ASN 15 Ca 0.09 -1.79 0.28 0.00 0.42 0.00 0.00 52.86 51.86 2j22 s ASN 15 Cb -0.10 -2.45 1.52 0.00 -1.45 0.00 0.00 41.25 38.77 2j22 s ASN 15 CO 0.04 -1.23 1.99 2.30 -3.72 0.00 0.00 177.10 176.48 2j22 n ILE 16 N 5.96 0.06 -0.16 -5.21 -5.35 0.28 -3.36 119.36 111.58 2j22 n ILE 16 Ca 0.25 0.02 0.07 0.00 -0.27 0.00 0.00 62.75 62.82 2j22 n ILE 16 Cb 0.50 -0.56 0.38 0.00 -1.74 0.00 0.00 39.64 38.21 2j22 n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j22 h ALA 17 N 3.50 1.76 -1.24 -1.28 0.00 -1.88 -3.42 119.26 116.71 2j22 h ALA 17 Ca 0.00 -0.02 -0.75 0.00 0.00 0.00 0.00 54.91 54.15 2j22 h ALA 17 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2j22 h ALA 17 CO 0.00 0.12 1.02 1.28 0.00 0.00 0.00 179.25 181.67 2j22 n LEU 18 N -4.48 2.04 0.00 0.00 4.77 -1.21 -1.00 117.00 117.12 2j22 n LEU 18 Ca 0.10 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 2j22 n LEU 18 Cb 0.25 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 2j22 n LEU 18 CO 0.34 -0.56 0.00 0.35 -1.33 0.00 0.00 177.39 176.19 2j22 n THR 19 N 5.21 0.00 -0.63 -5.08 -2.24 -0.93 -4.99 114.28 105.61 2j22 n THR 19 Ca 0.33 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.80 2j22 n THR 19 Cb 0.11 -0.64 0.19 0.00 -2.10 0.00 0.00 70.33 67.89 2j22 n THR 19 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2j22 n LYS 20 N -0.51 -1.13 -2.38 -0.78 4.76 -0.17 -4.91 118.16 113.04 2j22 n LYS 20 Ca 0.00 -0.28 -0.42 0.00 -2.87 0.00 0.00 58.31 54.74 2j22 n LYS 20 Cb 0.29 -2.18 -0.03 0.00 -1.84 0.00 0.00 35.03 31.28 2j22 n LYS 20 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2j22 s GLU 21 N -4.31 4.37 0.27 1.97 2.02 -1.24 -4.93 118.70 116.85 2j22 s GLU 21 Ca 0.65 1.79 0.11 0.00 0.02 0.00 0.00 54.97 57.54 2j22 s GLU 21 Cb -0.22 -3.45 -0.05 0.00 0.10 0.00 0.00 34.13 30.50 2j22 s GLU 21 CO 0.62 -0.39 -0.13 0.95 0.02 0.00 0.00 175.26 176.33 2j22 s THR 22 N 1.70 2.84 0.25 3.63 -4.23 -1.26 -1.25 115.64 117.32 2j22 s THR 22 Ca 0.59 -2.19 -0.15 0.00 -1.18 0.00 0.00 61.69 58.77 2j22 s THR 22 Cb -0.29 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2j22 s THR 22 CO 0.26 -0.36 0.53 0.00 -0.54 0.00 0.00 174.62 174.51 2j22 s ARG 23 N -3.49 1.59 0.25 3.99 1.70 -0.27 -4.85 118.95 117.87 2j22 s ARG 23 Ca 0.30 -1.18 -0.16 0.00 -0.47 0.00 0.00 55.73 54.22 2j22 s ARG 23 Cb -0.06 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2j22 s ARG 23 CO 0.16 -0.68 0.56 1.14 -1.08 0.00 0.00 175.30 175.40 2j22 s GLN 24 N -3.99 1.60 0.26 3.89 -2.07 -1.26 -0.42 119.66 117.67 2j22 s GLN 24 Ca 0.19 -1.13 -0.05 0.00 -1.82 0.00 0.00 55.36 52.56 2j22 s GLN 24 Cb -0.02 0.52 0.31 0.00 -1.09 0.00 0.00 33.01 32.73 2j22 s GLN 24 CO 0.08 -0.69 1.93 0.66 -1.32 0.00 0.00 175.29 175.95 2j22 h SER 25 N 2.17 1.11 -5.30 12.60 4.64 -1.72 -3.46 113.55 123.60 2j22 h SER 25 Ca -0.24 -0.02 0.12 0.00 -0.47 0.00 0.00 61.79 61.17 2j22 h SER 25 Cb 1.25 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 2j22 h SER 25 CO 0.32 0.79 0.49 -0.94 -0.87 0.00 0.00 176.83 176.62 2j22 s SER 26 N -6.10 -0.02 -0.02 4.97 1.04 -1.26 -5.01 113.70 107.30 2j22 s SER 26 Ca -0.13 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.56 2j22 s SER 26 Cb 0.18 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.90 2j22 s SER 26 CO 0.82 -1.16 -0.07 -0.89 0.98 0.00 0.00 173.24 172.91 2j22 s THR 27 N -2.34 0.64 0.06 2.02 2.01 -1.26 -4.12 115.64 112.65 2j22 s THR 27 Ca 0.19 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.95 2j22 s THR 27 Cb -0.03 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 2j22 s THR 27 CO 0.07 0.21 -0.12 -0.62 -0.69 0.00 0.00 174.62 173.46 2j22 s ASP 28 N 0.23 1.45 -1.20 3.53 2.15 0.14 -4.52 116.67 118.44 2j22 s ASP 28 Ca -0.03 -0.57 -0.03 0.00 0.43 0.00 0.00 52.55 52.35 2j22 s ASP 28 Cb -0.08 -0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.51 2j22 s ASP 28 CO 0.00 -0.09 0.44 -1.22 -0.17 0.00 0.00 175.17 174.14 2j22 n TYR 29 N 1.45 -1.46 -2.13 -5.34 4.01 -1.26 -0.87 117.16 111.54 2j22 n TYR 29 Ca -0.21 0.38 -0.15 0.00 -0.16 0.00 0.00 57.90 57.76 2j22 n TYR 29 Cb 0.54 -3.67 -0.02 0.00 -0.31 0.00 0.00 39.34 35.88 2j22 n TYR 29 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2j22 n ASN 30 N -1.48 -4.44 -3.63 7.72 3.02 -1.26 -4.87 115.26 110.32 2j22 n ASN 30 Ca -0.09 0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 2j22 n ASN 30 Cb 0.60 -3.83 -0.00 0.00 -0.61 0.00 0.00 39.78 35.94 2j22 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j22 n GLY 31 N -0.70 4.81 3.76 7.41 0.00 -0.05 -4.94 105.19 115.48 2j22 n GLY 31 Ca -0.17 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 2j22 n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j22 s PHE 32 N 0.47 2.60 0.43 1.61 0.08 -1.26 -1.43 117.98 120.49 2j22 s PHE 32 Ca 0.50 1.37 0.25 0.00 0.12 0.00 0.00 56.93 59.17 2j22 s PHE 32 Cb 0.15 -3.74 1.27 0.00 -0.57 0.00 0.00 43.02 40.13 2j22 s PHE 32 CO -0.05 -2.45 1.72 0.66 -0.10 0.00 0.00 175.22 175.00 2j22 h SER 33 N 2.24 0.32 0.60 1.36 4.64 -1.92 -1.64 113.55 119.15 2j22 h SER 33 Ca -0.50 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2j22 h SER 33 Cb 1.26 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2j22 h SER 33 CO 0.61 -0.02 0.00 -2.11 -0.87 0.00 0.00 176.83 174.44 2j22 n ARG 34 N -4.59 0.11 0.28 4.77 1.85 -1.26 -2.10 116.66 115.71 2j22 n ARG 34 Ca 0.30 0.12 0.17 0.00 -1.00 0.00 0.00 57.85 57.44 2j22 n ARG 34 Cb 1.13 -1.50 0.71 0.00 -1.05 0.00 0.00 32.46 31.75 2j22 n ARG 34 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2j22 h LEU 35 N 0.00 0.00 -0.27 2.89 3.38 -1.63 -0.15 115.31 119.54 2j22 h LEU 35 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2j22 h LEU 35 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2j22 h LEU 35 CO 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 178.44 178.56 2j22 n ALA 36 N -2.12 2.66 -2.00 1.53 0.00 -0.89 -3.82 120.51 115.87 2j22 n ALA 36 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 53.44 53.21 2j22 n ALA 36 Cb 0.30 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.40 2j22 n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2j22 n VAL 37 N -0.71 0.68 1.72 0.00 0.24 -0.09 -1.19 118.33 118.99 2j22 n VAL 37 Ca 0.21 -1.34 0.14 0.00 -2.04 0.00 0.00 64.34 61.31 2j22 n VAL 37 Cb 0.20 0.46 0.67 0.00 -1.47 0.00 0.00 33.84 33.70 2j22 n VAL 37 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2j22 n ASP 38 N -0.20 0.75 -0.11 -1.34 5.75 -1.08 -2.19 116.55 118.13 2j22 n ASP 38 Ca 0.08 -1.33 -0.01 0.00 -0.01 0.00 0.00 54.79 53.52 2j22 n ASP 38 Cb 0.87 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.94 2j22 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j22 n GLY 39 N 1.05 0.51 3.03 6.12 0.00 -1.26 -5.02 105.19 109.62 2j22 n GLY 39 Ca 0.20 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2j22 n GLY 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2j22 s ASN 40 N -2.58 3.54 0.00 1.61 3.84 -1.26 -4.99 114.94 115.09 2j22 s ASN 40 Ca 0.00 -0.94 0.23 0.00 0.21 0.00 0.00 52.86 52.36 2j22 s ASN 40 Cb 0.00 -1.33 0.96 0.00 -0.55 0.00 0.00 41.25 40.33 2j22 s ASN 40 CO 0.00 -0.13 1.67 0.29 -2.79 0.00 0.00 177.10 176.14 2j22 n LYS 41 N 4.63 1.53 -1.68 0.43 5.02 -1.26 -4.63 118.16 122.21 2j22 n LYS 41 Ca -0.16 -0.79 -0.45 0.00 -2.02 0.00 0.00 58.31 54.89 2j22 n LYS 41 Cb 0.46 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 2j22 n LYS 41 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2j22 n ASN 42 N -0.00 3.72 -1.02 4.39 2.85 -1.26 -4.80 115.26 119.14 2j22 n ASN 42 Ca 0.17 0.96 0.10 0.00 -0.11 0.00 0.00 54.58 55.70 2j22 n ASN 42 Cb 0.27 -1.45 0.26 0.00 1.24 0.00 0.00 39.78 40.10 2j22 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2j22 n GLY 43 N 4.34 1.53 3.64 8.20 0.00 -1.26 -4.55 105.19 117.09 2j22 n GLY 43 Ca 0.21 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2j22 n GLY 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j22 s ASP 44 N -1.14 6.81 0.38 1.61 2.15 -1.26 -0.85 116.67 124.38 2j22 s ASP 44 Ca 0.38 1.20 0.15 0.00 0.43 0.00 0.00 52.55 54.71 2j22 s ASP 44 Cb 0.20 -2.54 1.01 0.00 -0.30 0.00 0.00 42.92 41.29 2j22 s ASP 44 CO 0.27 -0.96 1.80 0.22 -0.17 0.00 0.00 175.17 176.33 2j22 h TYR 45 N 8.67 0.71 -0.00 -5.34 3.20 -1.97 -1.35 116.97 120.89 2j22 h TYR 45 Ca -0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2j22 h TYR 45 Cb 1.08 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.14 2j22 h TYR 45 CO 0.85 0.13 -0.02 0.41 -1.64 0.00 0.00 178.16 177.89 2j22 n GLY 46 N -1.46 -0.71 0.12 1.82 0.00 -1.26 -1.35 105.19 102.36 2j22 n GLY 46 Ca 0.23 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.11 2j22 n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2j22 n HIS 47 N -0.66 0.01 -2.43 1.61 8.25 -0.51 -4.94 115.22 116.55 2j22 n HIS 47 Ca 0.21 -0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.51 2j22 n HIS 47 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2j22 n HIS 47 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2j22 n HIS 48 N -0.68 -0.92 -1.60 4.41 -0.00 -0.46 -4.89 115.22 111.09 2j22 n HIS 48 Ca 0.22 0.10 0.06 0.00 -0.00 0.00 0.00 57.72 58.10 2j22 n HIS 48 Cb 0.17 -3.31 0.13 0.00 -0.00 0.00 0.00 29.99 26.98 2j22 n HIS 48 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2j22 n SER 49 N -1.07 1.60 -4.14 0.41 2.88 -1.26 -5.00 113.62 107.05 2j22 n SER 49 Ca -0.16 -3.10 -0.28 0.00 -1.33 0.00 0.00 58.87 54.00 2j22 n SER 49 Cb 0.63 -0.42 -0.17 0.00 -0.75 0.00 0.00 64.21 63.50 2j22 n SER 49 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2j22 s VAL 50 N -2.22 1.62 0.90 2.46 1.01 -1.26 -4.48 120.40 118.43 2j22 s VAL 50 Ca 0.30 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2j22 s VAL 50 Cb 0.29 -1.42 0.13 0.00 0.00 0.00 0.00 36.38 35.38 2j22 s VAL 50 CO -0.04 0.46 1.10 0.42 0.00 0.00 0.00 175.10 177.04 2j22 s THR 51 N 0.40 2.56 -0.30 3.92 -4.23 -0.46 -4.54 115.64 112.98 2j22 s THR 51 Ca -0.15 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 60.47 2j22 s THR 51 Cb -0.16 -2.74 0.16 0.00 1.34 0.00 0.00 72.50 71.10 2j22 s THR 51 CO 0.06 -0.24 0.69 -2.28 -0.54 0.00 0.00 174.62 172.31 2j22 s HIS 52 N -3.01 -1.33 0.59 3.99 2.46 -0.51 -3.68 115.29 113.80 2j22 s HIS 52 Ca 0.63 1.85 -0.04 0.00 0.47 0.00 0.00 55.06 57.97 2j22 s HIS 52 Cb -0.17 0.63 0.02 0.00 -0.13 0.00 0.00 32.58 32.93 2j22 s HIS 52 CO 0.56 -0.69 0.88 0.95 -2.47 0.00 0.00 174.74 173.97 2j22 s THR 53 N 2.84 3.27 0.96 0.89 -4.23 -0.60 -0.69 115.64 118.08 2j22 s THR 53 Ca 0.06 -0.21 -0.16 0.00 -1.18 0.00 0.00 61.69 60.20 2j22 s THR 53 Cb -0.12 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.66 2j22 s THR 53 CO -0.19 -0.29 0.68 0.29 -0.54 0.00 0.00 174.62 174.57 2j22 n LYS 54 N -2.56 -3.36 -2.30 3.99 5.02 -1.26 -4.33 118.16 113.36 2j22 n LYS 54 Ca 0.05 -1.11 -0.43 0.00 -2.02 0.00 0.00 58.31 54.80 2j22 n LYS 54 Cb 0.58 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2j22 n LYS 54 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2j22 n GLU 55 N -4.31 3.32 -2.47 1.97 1.02 -1.26 -4.21 120.64 114.69 2j22 n GLU 55 Ca 0.10 -3.30 -0.24 0.00 -0.02 0.00 0.00 57.16 53.71 2j22 n GLU 55 Cb 0.42 -3.11 0.08 0.00 -0.02 0.00 0.00 31.44 28.81 2j22 n GLU 55 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2j22 s ASP 56 N 2.21 4.69 -0.50 1.62 1.01 -1.26 -4.42 116.67 120.02 2j22 s ASP 56 Ca 0.44 -0.02 0.06 0.00 0.71 0.00 0.00 52.55 53.74 2j22 s ASP 56 Cb 0.08 -0.57 0.22 0.00 1.01 0.00 0.00 42.92 43.67 2j22 s ASP 56 CO -0.01 -1.62 0.54 -1.20 0.21 0.00 0.00 175.17 173.09 2j22 n SER 57 N -2.75 1.37 -4.94 0.27 7.64 -1.26 -0.80 113.62 113.15 2j22 n SER 57 Ca 0.11 -2.90 -0.24 0.00 1.01 0.00 0.00 58.87 56.86 2j22 n SER 57 Cb 0.60 -0.65 0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2j22 n SER 57 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2j22 s PRO 58 N -1.31 2.92 0.23 1.43 0.04 -1.26 -5.01 135.00 132.04 2j22 s PRO 58 Ca 0.35 -0.36 -0.30 0.00 0.04 0.00 0.00 61.00 60.73 2j22 s PRO 58 Cb 0.11 -2.44 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 2j22 s PRO 58 CO -0.11 -0.50 1.12 -1.12 0.04 0.00 0.00 177.00 176.43 2j22 s SER 59 N -4.28 7.23 0.20 6.66 0.01 -1.18 -4.94 113.70 117.40 2j22 s SER 59 Ca 0.52 2.21 -0.12 0.00 1.31 0.00 0.00 55.95 59.86 2j22 s SER 59 Cb -0.10 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2j22 s SER 59 CO 0.41 -0.21 0.41 -1.66 0.41 0.00 0.00 173.24 172.59 2j22 s TRP 60 N -0.66 0.24 -0.02 2.43 1.48 -1.26 -1.38 118.94 119.78 2j22 s TRP 60 Ca 0.48 -0.60 -0.06 0.00 -1.06 0.00 0.00 56.10 54.86 2j22 s TRP 60 Cb -0.31 0.14 0.00 0.00 -1.16 0.00 0.00 33.47 32.14 2j22 s TRP 60 CO 0.38 -0.85 0.13 -0.46 -4.06 0.00 0.00 176.95 172.09 2j22 s TRP 61 N -3.96 -0.01 0.01 1.66 -0.00 -0.18 -1.82 118.94 114.64 2j22 s TRP 61 Ca 0.16 0.02 -0.03 0.00 -0.00 0.00 0.00 56.10 56.25 2j22 s TRP 61 Cb 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 33.47 33.45 2j22 s TRP 61 CO 0.02 -0.20 0.04 -2.00 -0.00 0.00 0.00 176.95 174.80 2j22 s GLU 62 N -0.87 0.33 -0.05 5.86 2.12 0.44 -0.17 118.70 126.37 2j22 s GLU 62 Ca -0.10 -0.44 0.03 0.00 0.36 0.00 0.00 54.97 54.83 2j22 s GLU 62 Cb -0.05 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.47 2j22 s GLU 62 CO 0.01 -0.07 -0.14 -1.50 -0.54 0.00 0.00 175.26 173.02 2j22 s ILE 63 N -1.21 1.22 -0.33 -3.70 2.07 0.46 -1.11 121.20 118.58 2j22 s ILE 63 Ca -0.13 -0.58 -0.09 0.00 -1.41 0.00 0.00 60.65 58.44 2j22 s ILE 63 Cb -0.08 -1.07 0.01 0.00 0.13 0.00 0.00 42.46 41.46 2j22 s ILE 63 CO 0.00 0.36 0.15 -0.62 -1.91 0.00 0.00 174.94 172.93 2j22 s ASP 64 N 0.26 5.52 0.00 4.50 -1.08 -0.38 -1.42 116.67 124.07 2j22 s ASP 64 Ca -0.07 -0.80 0.25 0.00 -0.52 0.00 0.00 52.55 51.41 2j22 s ASP 64 Cb -0.12 -1.97 1.36 0.00 -1.46 0.00 0.00 42.92 40.73 2j22 s ASP 64 CO 0.02 -0.28 1.86 0.18 0.52 0.00 0.00 175.17 177.48 2j22 n LEU 65 N 4.95 0.00 0.00 -1.34 4.77 0.15 -3.62 117.00 121.91 2j22 n LEU 65 Ca -0.13 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2j22 n LEU 65 Cb 0.47 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2j22 n LEU 65 CO 0.34 -0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.37 2j22 n ALA 66 N -1.19 0.00 -3.25 -1.18 0.00 -1.26 -4.87 120.51 108.76 2j22 n ALA 66 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2j22 n ALA 66 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 2j22 n ALA 66 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2j22 s GLN 67 N 0.00 1.47 0.27 0.00 -2.07 -1.26 -5.14 119.66 112.92 2j22 s GLN 67 Ca 0.00 -1.07 -0.30 0.00 -1.82 0.00 0.00 55.36 52.17 2j22 s GLN 67 Cb 0.00 0.49 -0.12 0.00 -1.09 0.00 0.00 33.01 32.29 2j22 s GLN 67 CO 0.00 -0.62 1.52 2.41 -1.32 0.00 0.00 175.29 177.29 2j22 n THR 68 N -0.35 1.01 -4.13 3.63 -1.04 -1.26 -4.62 114.28 107.51 2j22 n THR 68 Ca -0.06 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.05 61.56 2j22 n THR 68 Cb 0.62 -1.78 -0.11 0.00 -1.82 0.00 0.00 70.33 67.24 2j22 n THR 68 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2j22 s GLU 69 N -0.49 0.73 -0.42 -2.82 0.41 0.07 -4.93 118.70 111.26 2j22 s GLU 69 Ca 0.65 -0.98 -0.28 0.00 -0.41 0.00 0.00 54.97 53.95 2j22 s GLU 69 Cb -0.55 -0.49 0.02 0.00 -1.78 0.00 0.00 34.13 31.33 2j22 s GLU 69 CO 0.49 0.09 1.04 -1.21 -0.49 0.00 0.00 175.26 175.18 2j22 s GLU 70 N -2.20 3.79 -0.22 1.61 2.02 -1.26 -1.47 118.70 120.96 2j22 s GLU 70 Ca -0.01 0.61 -0.14 0.00 0.02 0.00 0.00 54.97 55.45 2j22 s GLU 70 Cb -0.06 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 2j22 s GLU 70 CO 0.00 -1.16 0.32 -0.51 0.02 0.00 0.00 175.26 173.93 2j22 s LEU 71 N 3.95 4.13 -0.24 1.80 1.43 0.97 -4.46 118.68 126.26 2j22 s LEU 71 Ca 0.43 0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.79 2j22 s LEU 71 Cb -0.10 -2.37 -0.17 0.00 0.03 0.00 0.00 46.19 43.59 2j22 s LEU 71 CO 0.25 -0.04 -0.10 -0.62 0.23 0.00 0.00 176.35 176.06 2j22 n GLU 72 N 4.52 0.63 -3.79 1.70 -0.58 0.44 0.15 120.64 123.71 2j22 n GLU 72 Ca -0.11 0.29 -0.13 0.00 -0.42 0.00 0.00 57.16 56.80 2j22 n GLU 72 Cb 0.51 -1.58 -0.10 0.00 -0.57 0.00 0.00 31.44 29.70 2j22 n GLU 72 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2j22 s LYS 73 N -2.49 0.48 -0.12 3.49 2.20 -1.15 0.07 119.74 122.23 2j22 s LYS 73 Ca -0.33 0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.35 2j22 s LYS 73 Cb 0.10 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2j22 s LYS 73 CO 0.58 -0.10 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.07 2j22 s LEU 74 N -0.65 2.13 -0.13 5.43 2.96 0.61 -1.28 118.68 127.75 2j22 s LEU 74 Ca -0.07 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2j22 s LEU 74 Cb -0.04 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.22 2j22 s LEU 74 CO 0.02 0.13 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.33 2j22 s ILE 75 N 0.53 2.03 -0.18 6.68 1.01 0.13 0.01 121.20 131.42 2j22 s ILE 75 Ca -0.14 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 2j22 s ILE 75 Cb -0.17 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2j22 s ILE 75 CO 0.05 0.55 -0.05 -0.63 0.00 0.00 0.00 174.94 174.85 2j22 s ILE 76 N 0.73 3.51 -0.22 2.92 1.01 -0.62 0.68 121.20 129.22 2j22 s ILE 76 Ca -0.09 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 2j22 s ILE 76 Cb -0.16 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 2j22 s ILE 76 CO 0.00 0.46 0.02 -0.31 0.00 0.00 0.00 174.94 175.12 2j22 s TYR 77 N 0.88 3.06 0.60 3.97 2.02 0.16 -1.38 117.35 126.65 2j22 s TYR 77 Ca -0.01 -0.47 -0.10 0.00 -0.37 0.00 0.00 57.07 56.13 2j22 s TYR 77 Cb -0.15 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 2j22 s TYR 77 CO 0.01 -0.29 0.98 1.21 -1.57 0.00 0.00 175.55 175.89 2j22 s ASN 78 N 1.23 6.11 0.59 2.29 2.47 0.19 -1.55 114.94 126.27 2j22 s ASN 78 Ca 0.04 1.25 -0.19 0.00 0.42 0.00 0.00 52.86 54.38 2j22 s ASN 78 Cb -0.15 -2.32 -0.06 0.00 -1.45 0.00 0.00 41.25 37.28 2j22 s ASN 78 CO 0.02 -0.88 0.87 -1.14 -3.72 0.00 0.00 177.10 172.25 2j22 n ARG 79 N -2.68 0.83 0.00 0.43 0.63 -1.26 -4.33 116.66 110.29 2j22 n ARG 79 Ca 0.05 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 2j22 n ARG 79 Cb 0.55 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.40 2j22 n ARG 79 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2j22 n THR 80 N -1.67 0.00 0.08 5.15 -2.24 -0.03 -4.73 114.28 110.85 2j22 n THR 80 Ca 0.13 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 2j22 n THR 80 Cb 0.47 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 2j22 n THR 80 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2j22 h ASP 81 N 0.00 0.40 -5.09 3.42 2.03 -1.93 -3.48 116.42 111.77 2j22 h ASP 81 Ca 0.00 -0.34 0.10 0.00 -0.73 0.00 0.00 57.03 56.06 2j22 h ASP 81 Cb 0.02 -0.12 -0.08 0.00 -0.83 0.00 0.00 39.33 38.32 2j22 h ASP 81 CO 0.00 1.17 0.35 0.00 -1.03 0.00 0.00 179.24 179.73 2j22 s ALA 82 N -3.11 -1.49 -1.26 4.15 0.00 -1.26 -4.99 121.76 113.80 2j22 s ALA 82 Ca -0.04 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 2j22 s ALA 82 Cb 0.09 0.73 0.08 0.00 0.00 0.00 0.00 23.12 24.02 2j22 s ALA 82 CO 0.85 -0.97 0.46 0.39 0.00 0.00 0.00 175.76 176.50 2j22 n GLU 83 N -0.43 -3.18 0.28 0.00 -0.58 -1.26 -4.81 120.64 110.66 2j22 n GLU 83 Ca -0.07 0.43 0.17 0.00 -0.42 0.00 0.00 57.16 57.27 2j22 n GLU 83 Cb 0.61 -5.12 0.76 0.00 -0.57 0.00 0.00 31.44 27.12 2j22 n GLU 83 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2j22 h ILE 84 N -0.90 0.14 0.00 -3.67 3.07 -1.92 -2.32 117.51 111.91 2j22 h ILE 84 Ca -0.42 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.49 2j22 h ILE 84 Cb 1.28 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.27 2j22 h ILE 84 CO 0.53 0.04 0.00 0.06 -1.05 0.00 0.00 178.15 177.73 2j22 h GLN 85 N 0.00 0.00 0.00 0.16 -0.00 -1.94 -3.00 115.11 110.33 2j22 h GLN 85 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 2j22 h GLN 85 Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.91 2j22 h GLN 85 CO 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 178.83 178.69 2j22 h ARG 86 N 0.00 0.00 -4.96 0.06 3.08 -1.77 -3.31 114.38 107.49 2j22 h ARG 86 Ca 0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.32 2j22 h ARG 86 Cb 0.31 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.20 2j22 h ARG 86 CO 0.00 0.15 1.52 -1.17 -1.07 0.00 0.00 179.97 179.39 2j22 s LEU 87 N -7.77 4.82 0.16 3.04 2.96 -1.13 -4.88 118.68 115.87 2j22 s LEU 87 Ca -0.03 -2.90 -0.19 0.00 -0.22 0.00 0.00 54.13 50.78 2j22 s LEU 87 Cb 0.14 -2.43 0.05 0.00 0.50 0.00 0.00 46.19 44.44 2j22 s LEU 87 CO 0.63 -0.82 0.51 -0.94 -1.32 0.00 0.00 176.35 174.40 2j22 s SER 88 N 3.08 -0.37 -1.10 3.68 1.04 -1.25 -4.16 113.70 114.63 2j22 s SER 88 Ca 0.45 -0.24 -0.20 0.00 0.48 0.00 0.00 55.95 56.44 2j22 s SER 88 Cb -0.02 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 2j22 s SER 88 CO 0.02 -0.96 0.77 -3.20 0.98 0.00 0.00 173.24 170.85 2j22 n ASN 89 N -0.32 -5.34 -4.27 7.02 5.15 0.22 -4.67 115.26 113.05 2j22 n ASN 89 Ca -0.15 -0.99 -0.15 0.00 -0.60 0.00 0.00 54.58 52.70 2j22 n ASN 89 Cb 0.64 -3.19 -0.10 0.00 -0.53 0.00 0.00 39.78 36.60 2j22 n ASN 89 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2j22 s PHE 90 N -3.40 1.33 -0.00 1.20 -0.12 0.77 -1.17 117.98 116.58 2j22 s PHE 90 Ca 0.42 -0.90 0.05 0.00 -0.05 0.00 0.00 56.93 56.45 2j22 s PHE 90 Cb -0.16 -0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 41.46 2j22 s PHE 90 CO 0.87 -0.06 -0.14 -0.51 -0.05 0.00 0.00 175.22 175.33 2j22 s ASP 91 N -3.21 4.05 -0.21 1.98 1.01 -0.11 0.39 116.67 120.57 2j22 s ASP 91 Ca 0.23 -0.28 -0.07 0.00 0.71 0.00 0.00 52.55 53.14 2j22 s ASP 91 Cb 0.05 -0.79 -0.03 0.00 1.01 0.00 0.00 42.92 43.15 2j22 s ASP 91 CO 0.04 0.29 0.05 -0.63 0.21 0.00 0.00 175.17 175.14 2j22 s ILE 92 N -0.87 4.40 -0.09 0.77 1.01 0.11 -0.99 121.20 125.54 2j22 s ILE 92 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.66 2j22 s ILE 92 Cb -0.11 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.36 2j22 s ILE 92 CO 0.04 0.40 -0.15 -0.63 0.00 0.00 0.00 174.94 174.60 2j22 s ILE 93 N 1.03 1.39 -0.10 2.92 1.01 -0.28 -0.43 121.20 126.74 2j22 s ILE 93 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2j22 s ILE 93 Cb -0.14 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 2j22 s ILE 93 CO 0.03 0.42 -0.11 -0.63 0.00 0.00 0.00 174.94 174.65 2j22 s ILE 94 N 0.81 3.33 0.21 2.92 1.01 -0.08 -1.16 121.20 128.24 2j22 s ILE 94 Ca -0.11 -0.59 0.11 0.00 0.00 0.00 0.00 60.65 60.06 2j22 s ILE 94 Cb -0.16 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 2j22 s ILE 94 CO 0.02 0.55 -0.21 -0.31 0.00 0.00 0.00 174.94 174.99 2j22 s TYR 95 N -0.17 2.34 0.67 3.97 2.02 -0.34 0.33 117.35 126.16 2j22 s TYR 95 Ca 0.01 -0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.28 2j22 s TYR 95 Cb -0.13 -1.13 0.15 0.00 -0.40 0.00 0.00 41.96 40.45 2j22 s TYR 95 CO 0.03 0.55 0.91 -0.40 -1.57 0.00 0.00 175.55 175.07 2j22 n ASP 96 N 0.05 0.26 0.05 2.29 5.68 0.28 -1.04 116.55 124.12 2j22 n ASP 96 Ca -0.11 -1.45 0.06 0.00 -0.50 0.00 0.00 54.79 52.80 2j22 n ASP 96 Cb 0.57 -0.68 0.29 0.00 -1.14 0.00 0.00 41.12 40.15 2j22 n ASP 96 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2j22 n SER 97 N -3.48 0.21 -1.44 -1.12 3.41 -1.26 -1.49 113.62 108.45 2j22 n SER 97 Ca 0.12 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.40 2j22 n SER 97 Cb 0.42 -0.61 0.33 0.00 -0.26 0.00 0.00 64.21 64.09 2j22 n SER 97 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2j22 n ASN 98 N -1.75 4.46 -1.04 4.04 4.13 -1.26 -4.97 115.26 118.86 2j22 n ASN 98 Ca 0.01 -2.38 -0.13 0.00 1.68 0.00 0.00 54.58 53.77 2j22 n ASN 98 Cb 0.11 -0.54 -0.05 0.00 -1.54 0.00 0.00 39.78 37.76 2j22 n ASN 98 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2j22 n ASP 99 N 1.06 -4.51 -4.88 6.41 8.00 -0.56 -5.01 116.55 117.07 2j22 n ASP 99 Ca 0.24 0.29 -0.36 0.00 0.71 0.00 0.00 54.79 55.67 2j22 n ASP 99 Cb 0.82 -3.20 -0.06 0.00 -0.02 0.00 0.00 41.12 38.66 2j22 n ASP 99 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2j22 s TYR 100 N -2.50 3.61 0.20 1.24 2.02 -1.26 -4.85 117.35 115.81 2j22 s TYR 100 Ca 0.00 0.62 -0.32 0.00 -0.37 0.00 0.00 57.07 57.00 2j22 s TYR 100 Cb 0.00 -2.02 -0.12 0.00 -0.40 0.00 0.00 41.96 39.43 2j22 s TYR 100 CO 0.00 0.65 1.72 -2.00 -1.57 0.00 0.00 175.55 174.35 2j22 s GLU 101 N -1.46 4.13 0.00 -0.62 2.12 -1.26 -0.56 118.70 121.06 2j22 s GLU 101 Ca 0.23 2.59 0.06 0.00 0.36 0.00 0.00 54.97 58.22 2j22 s GLU 101 Cb -0.13 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 2j22 s GLU 101 CO 0.12 -0.75 0.40 1.33 -0.54 0.00 0.00 175.26 175.82 2j22 n VAL 102 N 4.04 0.00 -3.64 3.70 0.24 0.15 -4.83 118.33 117.99 2j22 n VAL 102 Ca 0.16 -0.39 -0.04 0.00 -2.04 0.00 0.00 64.34 62.02 2j22 n VAL 102 Cb 0.36 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 2j22 n VAL 102 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2j22 s PHE 103 N -1.31 -0.46 -0.01 6.34 5.36 -1.10 -4.99 117.98 121.82 2j22 s PHE 103 Ca 0.04 0.98 0.02 0.00 -0.96 0.00 0.00 56.93 57.01 2j22 s PHE 103 Cb 0.05 0.34 -0.00 0.00 -0.34 0.00 0.00 43.02 43.07 2j22 s PHE 103 CO 0.21 -0.22 -0.07 0.99 -1.46 0.00 0.00 175.22 174.66 2j22 s THR 104 N 0.84 0.61 -0.03 0.12 2.01 -1.26 -0.91 115.64 117.03 2j22 s THR 104 Ca -0.04 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.68 2j22 s THR 104 Cb -0.04 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.95 2j22 s THR 104 CO -0.12 0.19 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.38 2j22 s GLN 105 N 0.03 0.58 -0.10 4.92 2.00 0.43 -4.99 119.66 122.53 2j22 s GLN 105 Ca -0.00 -0.09 -0.13 0.00 -2.00 0.00 0.00 55.36 53.14 2j22 s GLN 105 Cb -0.05 -0.62 -0.05 0.00 0.80 0.00 0.00 33.01 33.09 2j22 s GLN 105 CO -0.00 -0.03 0.30 -1.58 -0.50 0.00 0.00 175.29 173.48 2j22 s HIS 106 N 0.59 3.58 -0.14 1.67 5.65 -1.26 -0.72 115.29 124.66 2j22 s HIS 106 Ca -0.07 0.72 0.01 0.00 0.25 0.00 0.00 55.06 55.96 2j22 s HIS 106 Cb -0.10 -2.24 -0.00 0.00 -1.18 0.00 0.00 32.58 29.06 2j22 s HIS 106 CO -0.00 0.48 -0.17 0.42 -0.65 0.00 0.00 174.74 174.82 2j22 s ILE 107 N -0.37 2.55 -0.11 0.89 -1.09 0.16 -4.97 121.20 118.26 2j22 s ILE 107 Ca 0.19 -0.82 -0.16 0.00 -2.23 0.00 0.00 60.65 57.63 2j22 s ILE 107 Cb -0.14 -2.06 -0.14 0.00 -1.58 0.00 0.00 42.46 38.54 2j22 s ILE 107 CO 0.07 0.53 0.47 0.44 -1.23 0.00 0.00 174.94 175.22 2j22 h ASP 108 N 7.18 -0.03 -4.96 3.58 3.32 -1.94 0.25 116.42 123.83 2j22 h ASP 108 Ca -0.30 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.28 2j22 h ASP 108 Cb 1.20 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 2j22 h ASP 108 CO 0.55 0.71 0.30 -0.94 -1.72 0.00 0.00 179.24 178.14 2j22 s SER 109 N -5.84 -0.43 -0.11 6.45 1.04 -1.26 0.69 113.70 114.23 2j22 s SER 109 Ca -0.10 -0.16 -0.08 0.00 0.48 0.00 0.00 55.95 56.08 2j22 s SER 109 Cb -0.01 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2j22 s SER 109 CO 0.38 -0.97 0.17 -0.76 0.98 0.00 0.00 173.24 173.05 2j22 s LEU 110 N -2.75 4.39 -0.11 2.42 1.02 -1.26 -5.01 118.68 117.38 2j22 s LEU 110 Ca 0.05 0.52 0.10 0.00 0.02 0.00 0.00 54.13 54.82 2j22 s LEU 110 Cb -0.02 -2.14 -0.24 0.00 0.02 0.00 0.00 46.19 43.82 2j22 s LEU 110 CO -0.07 0.39 0.39 -0.62 0.02 0.00 0.00 176.35 176.46 2j22 n GLU 111 N 2.05 0.67 -2.10 1.70 1.02 -1.26 -4.99 120.64 117.73 2j22 n GLU 111 Ca -0.19 0.20 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 2j22 n GLU 111 Cb 0.55 -1.69 -0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2j22 n GLU 111 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2j22 n SER 112 N -3.04 1.52 0.00 1.62 3.41 -1.26 -4.99 113.62 110.88 2j22 n SER 112 Ca -0.26 -1.43 0.02 0.00 -0.26 0.00 0.00 58.87 56.95 2j22 n SER 112 Cb 1.08 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 65.17 2j22 n SER 112 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2j22 n ASN 113 N -1.83 0.00 -3.60 4.04 0.23 -1.26 -4.85 115.26 107.99 2j22 n ASN 113 Ca -0.01 -1.29 -0.11 0.00 -0.53 0.00 0.00 54.58 52.64 2j22 n ASN 113 Cb 0.14 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 2j22 n ASN 113 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2j22 s ASN 114 N -1.43 -0.36 -0.01 0.53 4.22 -1.26 -0.64 114.94 115.99 2j22 s ASN 114 Ca 0.07 -0.26 0.00 0.00 -2.14 0.00 0.00 52.86 50.53 2j22 s ASN 114 Cb 0.03 0.56 0.02 0.00 1.28 0.00 0.00 41.25 43.14 2j22 s ASN 114 CO 0.05 -0.97 0.02 -0.22 -2.04 0.00 0.00 177.10 173.94 2j22 s LEU 115 N -2.81 1.39 -0.10 3.54 2.96 -0.48 -4.77 118.68 118.41 2j22 s LEU 115 Ca 0.04 0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.97 2j22 s LEU 115 Cb -0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 46.19 46.60 2j22 s LEU 115 CO -0.09 -0.08 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.23 2j22 s SER 116 N 0.71 4.57 -0.09 3.68 0.15 -1.26 -1.59 113.70 119.86 2j22 s SER 116 Ca -0.06 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.51 2j22 s SER 116 Cb -0.09 -1.35 0.02 0.00 -1.71 0.00 0.00 66.02 62.89 2j22 s SER 116 CO -0.02 0.29 -0.11 -0.63 1.20 0.00 0.00 173.24 173.97 2j22 s ILE 117 N -0.38 1.18 0.15 6.45 -1.09 0.10 -4.99 121.20 122.62 2j22 s ILE 117 Ca 0.05 -0.44 -0.22 0.00 -2.23 0.00 0.00 60.65 57.81 2j22 s ILE 117 Cb -0.12 -1.12 -0.08 0.00 -1.58 0.00 0.00 42.46 39.56 2j22 s ILE 117 CO 0.02 0.38 0.70 -1.81 -1.23 0.00 0.00 174.94 173.00 2j22 s ASP 118 N 1.14 7.19 0.00 3.58 1.01 -1.26 -0.28 116.67 128.05 2j22 s ASP 118 Ca -0.05 1.46 0.03 0.00 0.71 0.00 0.00 52.55 54.70 2j22 s ASP 118 Cb -0.14 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.37 2j22 s ASP 118 CO -0.02 0.18 0.51 0.18 0.21 0.00 0.00 175.17 176.22 2j22 n LEU 119 N 1.36 1.05 -4.21 1.23 4.77 0.11 -4.91 117.00 116.41 2j22 n LEU 119 Ca -0.06 -0.90 -0.31 0.00 -0.03 0.00 0.00 56.01 54.71 2j22 n LEU 119 Cb 0.50 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 2j22 n LEU 119 CO 0.44 0.23 -0.42 0.29 -1.33 0.00 0.00 177.39 176.60 2j22 n LYS 120 N -0.07 -0.85 -0.98 3.23 5.02 -1.20 -1.73 118.16 121.58 2j22 n LYS 120 Ca 0.02 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2j22 n LYS 120 Cb 0.08 -3.25 0.00 0.00 -0.02 0.00 0.00 35.03 31.83 2j22 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j22 n GLY 121 N -2.45 0.43 3.43 0.72 0.00 0.12 -4.97 105.19 102.47 2j22 n GLY 121 Ca -0.29 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.12 2j22 n GLY 121 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2j22 n LEU 122 N 0.00 0.75 -4.67 0.99 7.94 -0.70 -4.00 117.00 117.31 2j22 n LEU 122 Ca 0.00 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.59 2j22 n LEU 122 Cb 0.11 -0.84 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 2j22 n LEU 122 CO 0.00 -1.12 0.69 -0.54 -1.11 0.00 0.00 177.39 175.31 2j22 s LYS 123 N 1.87 4.32 0.14 1.96 1.02 -1.26 -0.02 119.74 127.77 2j22 s LYS 123 Ca 0.94 1.14 -0.14 0.00 0.02 0.00 0.00 55.97 57.93 2j22 s LYS 123 Cb -1.33 -3.57 0.02 0.00 -0.52 0.00 0.00 37.83 32.42 2j22 s LYS 123 CO 0.69 -0.36 0.37 0.20 -0.92 0.00 0.00 175.35 175.33 2j22 s GLY 124 N 1.15 -0.06 -0.00 -3.33 0.00 -0.54 -4.80 107.32 99.73 2j22 s GLY 124 Ca 0.41 -0.31 0.04 0.00 0.00 0.00 0.00 44.72 44.86 2j22 s GLY 124 CO 0.13 -0.47 0.09 1.17 0.00 0.00 0.00 173.10 174.02 2j22 n LYS 125 N -0.22 0.57 -3.87 2.90 4.81 -0.21 -0.75 118.16 121.40 2j22 n LYS 125 Ca -0.13 -0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.16 2j22 n LYS 125 Cb 0.63 -1.05 -0.11 0.00 0.02 0.00 0.00 35.03 34.52 2j22 n LYS 125 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2j22 s LYS 126 N -2.18 0.35 -0.04 1.64 1.02 -1.16 0.32 119.74 119.68 2j22 s LYS 126 Ca -0.01 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 55.76 2j22 s LYS 126 Cb 0.02 0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.50 2j22 s LYS 126 CO 0.15 -0.07 -0.04 0.08 -0.92 0.00 0.00 175.35 174.55 2j22 s VAL 127 N -0.89 0.52 -0.07 3.17 1.01 -0.50 -1.20 120.40 122.44 2j22 s VAL 127 Ca -0.10 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.83 2j22 s VAL 127 Cb -0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 2j22 s VAL 127 CO 0.01 0.22 -0.23 -0.60 0.00 0.00 0.00 175.10 174.50 2j22 s ARG 128 N 0.96 2.66 -0.15 2.72 3.52 -0.31 -0.40 118.95 127.95 2j22 s ARG 128 Ca -0.10 -0.87 -0.00 0.00 -0.13 0.00 0.00 55.73 54.63 2j22 s ARG 128 Cb -0.14 -2.23 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 2j22 s ARG 128 CO -0.00 0.37 -0.14 0.42 -0.81 0.00 0.00 175.30 175.15 2j22 s ILE 129 N -0.13 2.87 -0.04 4.11 1.01 0.76 -1.13 121.20 128.65 2j22 s ILE 129 Ca -0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 2j22 s ILE 129 Cb -0.14 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.14 2j22 s ILE 129 CO 0.04 0.51 0.02 -0.55 0.00 0.00 0.00 174.94 174.96 2j22 s SER 130 N 0.67 0.79 0.31 3.58 0.15 -0.16 -1.01 113.70 118.02 2j22 s SER 130 Ca -0.07 -0.01 -0.28 0.00 0.70 0.00 0.00 55.95 56.29 2j22 s SER 130 Cb -0.16 -0.23 -0.09 0.00 -1.71 0.00 0.00 66.02 63.83 2j22 s SER 130 CO 0.02 -0.16 1.08 -0.76 1.20 0.00 0.00 173.24 174.63 2j22 s LEU 131 N 1.48 4.44 0.10 3.45 1.43 -0.48 -0.93 118.68 128.16 2j22 s LEU 131 Ca -0.03 2.19 0.23 0.00 -1.03 0.00 0.00 54.13 55.49 2j22 s LEU 131 Cb -0.13 -3.78 0.15 0.00 0.03 0.00 0.00 46.19 42.46 2j22 s LEU 131 CO -0.03 -0.23 1.13 0.54 0.23 0.00 0.00 176.35 177.99 2j22 n ARG 132 N 0.84 0.34 -3.01 1.70 5.12 -0.32 -4.64 116.66 116.70 2j22 n ARG 132 Ca 0.01 0.04 -0.43 0.00 -1.93 0.00 0.00 57.85 55.54 2j22 n ARG 132 Cb 0.46 -1.66 -0.06 0.00 -1.16 0.00 0.00 32.46 30.05 2j22 n ARG 132 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2j22 s SER 133 N -4.25 6.42 0.51 0.55 0.01 -1.26 -5.06 113.70 110.62 2j22 s SER 133 Ca 0.04 -0.06 -0.23 0.00 1.31 0.00 0.00 55.95 57.01 2j22 s SER 133 Cb 0.13 -2.37 -0.06 0.00 0.21 0.00 0.00 66.02 63.94 2j22 s SER 133 CO 0.77 -0.83 1.36 0.00 0.41 0.00 0.00 173.24 174.95 2j22 s ALA 134 N 3.11 2.94 0.00 1.44 0.00 -1.26 -3.56 121.76 124.43 2j22 s ALA 134 Ca 0.28 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2j22 s ALA 134 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2j22 s ALA 134 CO 0.20 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 175.10 2j22 n GLY 135 N 0.67 0.50 3.65 0.00 0.00 0.02 -5.01 105.19 105.02 2j22 n GLY 135 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2j22 n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j22 s ILE 136 N -2.20 4.60 0.33 -0.61 -1.09 -1.23 -4.58 121.20 116.41 2j22 s ILE 136 Ca 0.00 -0.12 -0.28 0.00 -2.23 0.00 0.00 60.65 58.03 2j22 s ILE 136 Cb 0.00 -3.02 -0.09 0.00 -1.58 0.00 0.00 42.46 37.77 2j22 s ILE 136 CO 0.00 0.52 1.11 -2.84 -1.23 0.00 0.00 174.94 172.50 2j22 s PRO 137 N -0.09 4.42 -0.21 2.79 0.02 -1.26 -4.18 135.00 136.49 2j22 s PRO 137 Ca 0.06 1.78 -0.13 0.00 0.02 0.00 0.00 61.00 62.72 2j22 s PRO 137 Cb -0.12 -2.96 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 2j22 s PRO 137 CO 0.01 0.02 0.28 -1.17 -0.33 0.00 0.00 177.00 175.82 2j22 s LEU 138 N -1.90 4.15 -0.07 -5.54 2.96 -1.26 -4.84 118.68 112.18 2j22 s LEU 138 Ca 0.50 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 2j22 s LEU 138 Cb -0.30 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.09 2j22 s LEU 138 CO 0.39 0.01 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.91 2j22 s SER 139 N 0.97 1.53 -0.10 3.68 0.01 -1.26 -1.55 113.70 116.97 2j22 s SER 139 Ca 0.14 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.21 2j22 s SER 139 Cb -0.14 -0.65 0.01 0.00 0.21 0.00 0.00 66.02 65.45 2j22 s SER 139 CO 0.06 -0.05 -0.17 -0.76 0.41 0.00 0.00 173.24 172.73 2j22 s LEU 140 N 1.09 1.80 0.10 2.44 1.43 -1.24 -4.14 118.68 120.16 2j22 s LEU 140 Ca -0.07 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 2j22 s LEU 140 Cb -0.14 -1.11 -0.15 0.00 0.03 0.00 0.00 46.19 44.82 2j22 s LEU 140 CO -0.01 0.05 1.31 0.00 0.23 0.00 0.00 176.35 177.94 2j22 h ALA 141 N 7.15 0.32 -1.79 4.21 0.00 -1.47 -1.23 119.26 126.45 2j22 h ALA 141 Ca -0.29 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.07 2j22 h ALA 141 Cb 1.19 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.72 2j22 h ALA 141 CO 0.49 0.63 0.31 -2.00 0.00 0.00 0.00 179.25 178.68 2j22 s GLU 142 N -3.81 0.69 -0.19 0.00 2.56 -1.16 -4.43 118.70 112.35 2j22 s GLU 142 Ca -0.11 0.71 0.01 0.00 0.00 0.00 0.00 54.97 55.58 2j22 s GLU 142 Cb 0.08 0.33 0.04 0.00 2.00 0.00 0.00 34.13 36.59 2j22 s GLU 142 CO 0.89 -0.10 -0.11 0.08 -0.56 0.00 0.00 175.26 175.46 2j22 s VAL 143 N 0.10 1.62 -0.11 3.70 1.01 -0.34 0.39 120.40 126.77 2j22 s VAL 143 Ca 0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2j22 s VAL 143 Cb -0.04 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2j22 s VAL 143 CO -0.02 0.22 -0.04 -1.61 0.00 0.00 0.00 175.10 173.66 2j22 s GLU 144 N 1.42 3.23 -0.24 2.72 2.02 0.21 -4.72 118.70 123.35 2j22 s GLU 144 Ca -0.00 -0.51 0.01 0.00 0.02 0.00 0.00 54.97 54.49 2j22 s GLU 144 Cb -0.16 -2.78 0.06 0.00 0.10 0.00 0.00 34.13 31.35 2j22 s GLU 144 CO -0.09 0.47 -0.06 0.08 0.02 0.00 0.00 175.26 175.69 2j22 s VAL 145 N -0.27 1.63 -0.18 2.63 1.01 -1.26 -0.69 120.40 123.27 2j22 s VAL 145 Ca 0.05 -1.30 -0.12 0.00 0.00 0.00 0.00 61.98 60.61 2j22 s VAL 145 Cb -0.13 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2j22 s VAL 145 CO 0.02 -0.10 0.24 -0.31 0.00 0.00 0.00 175.10 174.95 2j22 s TYR 146 N 1.35 3.43 0.37 5.22 2.02 -0.41 -0.56 117.35 128.77 2j22 s TYR 146 Ca -0.06 0.49 0.05 0.00 -0.37 0.00 0.00 57.07 57.18 2j22 s TYR 146 Cb -0.19 -2.28 -0.07 0.00 -0.40 0.00 0.00 41.96 39.02 2j22 s TYR 146 CO -0.06 0.24 0.04 0.95 -1.57 0.00 0.00 175.55 175.14 2j22 s THR 147 N 0.49 1.55 0.00 -0.71 -4.23 -0.69 -0.42 115.64 111.64 2j22 s THR 147 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2j22 s THR 147 Cb -0.12 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2j22 s THR 147 CO 0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 2j22 n TYR 148 N -0.82 0.00 0.00 3.99 4.19 -1.26 -0.52 117.16 122.73 2j22 n TYR 148 Ca -0.04 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.17 2j22 n TYR 148 Cb 0.67 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.50 2j22 n TYR 148 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40