#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 s SER 2 N 0.00 -0.12 -0.31 7.83 0.15 -1.26 -5.11 113.70 114.89 2kb3 s SER 2 Ca 0.00 -0.40 -0.29 0.00 0.70 0.00 0.00 55.95 55.96 2kb3 s SER 2 Cb 0.00 0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2kb3 s SER 2 CO 0.00 -0.80 1.36 -1.81 1.20 0.00 0.00 173.24 173.18 2kb3 s ASP 3 N -3.03 6.58 0.33 5.45 1.11 -1.26 -4.99 116.67 120.86 2kb3 s ASP 3 Ca 0.14 1.20 -0.12 0.00 0.18 0.00 0.00 52.55 53.95 2kb3 s ASP 3 Cb -0.00 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.37 2kb3 s ASP 3 CO 0.02 -1.16 0.71 0.54 1.18 0.00 0.00 175.17 176.46 2kb3 s ASN 4 N 3.15 6.65 0.37 0.27 2.20 -1.26 -5.08 114.94 121.23 2kb3 s ASN 4 Ca 0.59 1.14 0.08 0.00 -0.94 0.00 0.00 52.86 53.73 2kb3 s ASN 4 Cb -0.17 -2.32 -0.03 0.00 -2.00 0.00 0.00 41.25 36.73 2kb3 s ASN 4 CO 0.25 -0.25 0.28 0.54 -2.94 0.00 0.00 177.10 174.98 2kb3 s ASN 5 N -2.63 5.00 0.00 3.54 4.22 -1.26 -5.13 114.94 118.68 2kb3 s ASN 5 Ca 0.52 -0.69 0.00 0.00 -2.14 0.00 0.00 52.86 50.55 2kb3 s ASN 5 Cb -0.10 -0.74 0.00 0.00 1.28 0.00 0.00 41.25 41.68 2kb3 s ASN 5 CO 0.23 -0.46 0.00 0.61 -2.04 0.00 0.00 177.10 175.44 2kb3 n GLY 6 N -1.37 2.54 3.70 0.45 0.00 -1.26 -4.96 105.19 104.29 2kb3 n GLY 6 Ca -0.00 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2kb3 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 7 N 1.57 4.80 0.76 2.61 2.01 -1.26 -5.02 115.64 121.11 2kb3 s THR 7 Ca 0.00 2.03 -0.15 0.00 0.31 0.00 0.00 61.69 63.88 2kb3 s THR 7 Cb 0.00 -4.30 0.05 0.00 0.01 0.00 0.00 72.50 68.25 2kb3 s THR 7 CO 0.00 0.10 1.15 -0.81 -0.69 0.00 0.00 174.62 174.37 2kb3 n PRO 8 N 4.32 0.43 -2.57 4.92 -0.04 -1.26 -4.93 135.00 135.87 2kb3 n PRO 8 Ca 0.07 0.21 -0.43 0.00 -0.04 0.00 0.00 63.50 63.32 2kb3 n PRO 8 Cb 0.50 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.55 2kb3 n PRO 8 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2kb3 s GLU 9 N -3.77 4.21 0.36 0.54 0.41 -1.26 -4.89 118.70 114.30 2kb3 s GLU 9 Ca 0.75 1.42 -0.27 0.00 -0.41 0.00 0.00 54.97 56.46 2kb3 s GLU 9 Cb -0.32 -3.71 -0.12 0.00 -1.78 0.00 0.00 34.13 28.21 2kb3 s GLU 9 CO 0.49 -0.71 1.26 -2.30 -0.49 0.00 0.00 175.26 173.51 2kb3 n PRO 10 N 6.53 2.02 -3.28 0.39 -0.02 -1.26 -4.83 135.00 134.56 2kb3 n PRO 10 Ca 0.13 0.71 -0.24 0.00 -2.02 0.00 0.00 63.50 62.08 2kb3 n PRO 10 Cb 0.46 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 2kb3 n PRO 10 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2kb3 s GLN 11 N -1.92 3.39 -0.15 -0.52 -2.07 -1.26 -5.09 119.66 112.03 2kb3 s GLN 11 Ca 0.57 -0.37 0.02 0.00 -1.82 0.00 0.00 55.36 53.76 2kb3 s GLN 11 Cb -0.56 -2.64 0.01 0.00 -1.09 0.00 0.00 33.01 28.73 2kb3 s GLN 11 CO 0.61 0.05 -0.21 0.08 -1.32 0.00 0.00 175.29 174.50 2kb3 s VAL 12 N -2.38 1.98 -0.15 3.63 1.01 -1.26 -4.67 120.40 118.56 2kb3 s VAL 12 Ca 0.42 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 2kb3 s VAL 12 Cb -0.10 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.56 2kb3 s VAL 12 CO 0.37 0.53 0.41 -0.70 0.00 0.00 0.00 175.10 175.70 2kb3 s GLU 13 N 0.97 0.46 0.22 2.72 2.56 -1.26 -5.03 118.70 119.33 2kb3 s GLU 13 Ca -0.04 0.60 0.01 0.00 0.00 0.00 0.00 54.97 55.54 2kb3 s GLU 13 Cb -0.15 0.19 0.04 0.00 2.00 0.00 0.00 34.13 36.21 2kb3 s GLU 13 CO -0.05 -0.07 0.31 2.41 -0.56 0.00 0.00 175.26 177.30 2kb3 n THR 14 N 3.09 0.00 -4.02 -1.70 -1.04 -1.26 -4.53 114.28 104.81 2kb3 n THR 14 Ca -0.15 -0.56 -0.09 0.00 -2.04 0.00 0.00 64.05 61.21 2kb3 n THR 14 Cb 0.57 -1.09 -0.11 0.00 -1.82 0.00 0.00 70.33 67.88 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kb3 s SER 16 N -2.29 0.41 -0.33 8.00 0.15 -1.26 -4.98 113.70 113.40 2kb3 s SER 16 Ca 0.21 -0.64 -0.28 0.00 0.70 0.00 0.00 55.95 55.95 2kb3 s SER 16 Cb -0.01 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 2kb3 s SER 16 CO 0.14 -0.36 1.02 -0.69 1.20 0.00 0.00 173.24 174.55 2kb3 s VAL 17 N -2.07 4.54 -0.02 4.45 1.01 -1.26 -4.78 120.40 122.27 2kb3 s VAL 17 Ca -0.09 1.56 0.08 0.00 0.00 0.00 0.00 61.98 63.53 2kb3 s VAL 17 Cb -0.05 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2kb3 s VAL 17 CO -0.03 -0.49 -0.26 0.72 0.00 0.00 0.00 175.10 175.05 2kb3 s PHE 18 N 3.58 2.34 -0.58 5.22 -0.71 -1.04 -5.06 117.98 121.73 2kb3 s PHE 18 Ca 0.43 -0.45 -0.02 0.00 -1.04 0.00 0.00 56.93 55.85 2kb3 s PHE 18 Cb -0.12 -1.50 0.15 0.00 -1.21 0.00 0.00 43.02 40.33 2kb3 s PHE 18 CO 0.16 -0.04 0.38 1.03 -1.34 0.00 0.00 175.22 175.41 2kb3 s ARG 19 N -0.60 2.41 0.40 1.99 1.81 -1.26 -4.65 118.95 119.06 2kb3 s ARG 19 Ca 0.10 -2.41 -0.07 0.00 -1.72 0.00 0.00 55.73 51.63 2kb3 s ARG 19 Cb -0.10 -3.67 0.09 0.00 -0.45 0.00 0.00 34.95 30.82 2kb3 s ARG 19 CO -0.01 -1.15 0.51 0.00 -0.68 0.00 0.00 175.30 173.97 2kb3 n ALA 20 N 3.65 -0.74 0.45 2.13 0.00 -1.26 -4.89 120.51 119.85 2kb3 n ALA 20 Ca 0.06 -0.68 0.04 0.00 0.00 0.00 0.00 53.44 52.86 2kb3 n ALA 20 Cb 0.38 -0.04 0.21 0.00 0.00 0.00 0.00 19.45 20.01 2kb3 n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kb3 n ASP 21 N -3.41 0.00 0.24 0.00 5.75 -1.26 -2.92 116.55 114.95 2kb3 n ASP 21 Ca 0.06 -0.19 0.16 0.00 -0.01 0.00 0.00 54.79 54.82 2kb3 n ASP 21 Cb 0.23 -0.03 0.80 0.00 -1.03 0.00 0.00 41.12 41.09 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2kb3 h LEU 22 N 0.00 0.00 0.00 -2.12 8.10 -1.90 -2.45 115.31 116.94 2kb3 h LEU 22 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kb3 h LEU 22 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 2kb3 h LEU 22 CO 0.00 0.00 0.00 0.18 -4.11 0.00 0.00 178.44 174.51 2kb3 n LEU 23 N -2.69 0.00 0.08 0.17 4.77 -1.15 -1.85 117.00 116.33 2kb3 n LEU 23 Ca -0.01 0.45 0.05 0.00 -0.03 0.00 0.00 56.01 56.47 2kb3 n LEU 23 Cb 0.14 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2kb3 n LEU 23 CO 0.18 -0.29 -0.06 0.50 -1.33 0.00 0.00 177.39 176.40 2kb3 h LYS 24 N 0.00 0.00 -0.01 3.23 3.64 -1.75 -3.36 116.57 118.32 2kb3 h LYS 24 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kb3 h LYS 24 Cb 0.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2kb3 h LYS 24 CO 0.00 0.17 0.01 0.93 -2.27 0.00 0.00 179.45 178.29 2kb3 h GLU 25 N 0.00 0.00 -0.05 1.90 4.39 -1.58 -1.69 114.58 117.54 2kb3 h GLU 25 Ca -0.08 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 2kb3 h GLU 25 Cb 1.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 2kb3 h GLU 25 CO 0.03 0.00 -0.10 0.00 -1.16 0.00 0.00 179.01 177.78 2kb3 h MET 26 N 0.00 0.08 0.00 2.33 -0.00 -1.76 -0.62 114.93 114.95 2kb3 h MET 26 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 2kb3 h MET 26 Cb 0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 31.60 2kb3 h MET 26 CO -0.00 0.18 -0.50 1.05 -0.00 0.00 0.00 176.91 177.64 2kb3 h GLU 27 N 0.08 0.00 0.00 -0.10 4.11 -1.59 -0.64 114.58 116.44 2kb3 h GLU 27 Ca 0.02 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.32 2kb3 h GLU 27 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2kb3 h GLU 27 CO 0.01 0.50 -0.63 0.77 0.07 0.00 0.00 179.01 179.73 2kb3 h SER 28 N 0.00 0.00 1.25 3.06 0.02 -1.56 -3.16 113.55 113.16 2kb3 h SER 28 Ca -0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2kb3 h SER 28 Cb 1.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 2kb3 h SER 28 CO 0.07 0.62 -0.50 0.28 -1.14 0.00 0.00 176.83 176.15 2kb3 h SER 29 N 0.00 0.00 -3.13 3.07 0.02 -0.57 -3.40 113.55 109.55 2kb3 h SER 29 Ca -0.01 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.38 2kb3 h SER 29 Cb 1.48 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.97 2kb3 h SER 29 CO 0.08 0.50 1.10 -0.89 -1.14 0.00 0.00 176.83 176.48 2kb3 s THR 30 N -3.14 3.84 0.00 -2.27 2.01 -0.30 -1.09 115.64 114.70 2kb3 s THR 30 Ca 0.03 0.83 0.00 0.00 0.31 0.00 0.00 61.69 62.85 2kb3 s THR 30 Cb 0.09 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.38 2kb3 s THR 30 CO 0.73 -0.83 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 2kb3 n GLY 31 N 5.16 1.25 3.28 4.40 0.00 -1.26 -4.95 105.19 113.07 2kb3 n GLY 31 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 32 N -2.00 3.07 -0.26 2.61 2.01 -0.25 -5.09 115.64 115.74 2kb3 s THR 32 Ca 0.00 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 2kb3 s THR 32 Cb 0.00 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 70.17 2kb3 s THR 32 CO 0.00 0.46 -0.04 0.00 -0.69 0.00 0.00 174.62 174.35 2kb3 s ALA 33 N 1.25 2.75 0.42 7.40 0.00 -1.26 -4.97 121.76 127.34 2kb3 s ALA 33 Ca 0.03 -1.49 -0.26 0.00 0.00 0.00 0.00 51.96 50.24 2kb3 s ALA 33 Cb -0.14 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.12 2kb3 s ALA 33 CO -0.04 -0.87 1.36 -2.30 0.00 0.00 0.00 175.76 173.91 2kb3 n PRO 34 N 4.68 2.16 -3.55 0.00 -0.02 -1.26 -4.97 135.00 132.03 2kb3 n PRO 34 Ca -0.16 0.77 -0.37 0.00 -2.02 0.00 0.00 63.50 61.72 2kb3 n PRO 34 Cb 0.47 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 2kb3 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb3 s ALA 35 N -1.18 3.60 -0.41 3.55 0.00 -1.26 -5.01 121.76 121.05 2kb3 s ALA 35 Ca 0.60 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.88 2kb3 s ALA 35 Cb -0.49 -2.43 0.15 0.00 0.00 0.00 0.00 23.12 20.36 2kb3 s ALA 35 CO 0.59 -0.18 0.29 0.45 0.00 0.00 0.00 175.76 176.91 2kb3 s SER 36 N 0.94 2.44 -0.22 0.00 0.15 -1.26 -4.15 113.70 111.59 2kb3 s SER 36 Ca 0.13 -2.72 0.07 0.00 0.70 0.00 0.00 55.95 54.13 2kb3 s SER 36 Cb -0.14 -0.55 -0.18 0.00 -1.71 0.00 0.00 66.02 63.44 2kb3 s SER 36 CO 0.05 -0.23 -0.11 0.41 1.20 0.00 0.00 173.24 174.56 2kb3 n THR 37 N 3.34 1.34 -2.98 6.45 -1.04 -1.26 -4.67 114.28 115.46 2kb3 n THR 37 Ca 0.20 -0.62 -0.30 0.00 -2.04 0.00 0.00 64.05 61.29 2kb3 n THR 37 Cb 0.42 -1.04 -0.03 0.00 -1.82 0.00 0.00 70.33 67.85 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 38 N 2.17 5.55 0.09 3.41 0.00 -1.26 -4.73 105.19 110.42 2kb3 n GLY 38 Ca -0.38 -2.75 -0.06 0.00 0.00 0.00 0.00 46.02 42.84 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 n ALA 39 N 0.04 1.65 1.17 4.61 0.00 -1.26 -4.17 120.51 122.56 2kb3 n ALA 39 Ca 0.33 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 53.18 2kb3 n ALA 39 Cb 0.37 -0.86 0.27 0.00 0.00 0.00 0.00 19.45 19.23 2kb3 n ALA 39 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kb3 n GLU 40 N -2.97 0.88 0.06 0.00 0.28 -1.26 -4.45 120.64 113.18 2kb3 n GLU 40 Ca -0.15 -0.58 -0.21 0.00 -0.16 0.00 0.00 57.16 56.06 2kb3 n GLU 40 Cb 0.98 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 32.22 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2kb3 h ASN 41 N 1.43 0.52 -6.67 -1.84 4.21 -1.93 -3.48 115.58 107.82 2kb3 h ASN 41 Ca 0.00 -0.95 -0.49 0.00 1.21 0.00 0.00 56.30 56.08 2kb3 h ASN 41 Cb 0.57 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2kb3 h ASN 41 CO 0.00 1.45 -0.98 0.18 -1.29 0.00 0.00 177.43 176.79 2kb3 n LEU 42 N -4.06 -1.77 0.00 1.61 4.77 -1.26 -4.91 117.00 111.38 2kb3 n LEU 42 Ca -0.15 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2kb3 n LEU 42 Cb 0.87 -1.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 2kb3 n LEU 42 CO 0.50 0.44 0.48 -0.81 -1.33 0.00 0.00 177.39 176.67 2kb3 n PRO 43 N -3.54 0.00 -0.26 3.23 -0.04 -1.26 -2.80 135.00 130.33 2kb3 n PRO 43 Ca -0.21 0.69 0.11 0.00 -0.04 0.00 0.00 63.50 64.05 2kb3 n PRO 43 Cb 0.63 -1.47 0.27 0.00 -0.04 0.00 0.00 33.50 32.89 2kb3 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 n ALA 44 N -2.33 2.42 -1.18 0.55 0.00 -1.26 -4.89 120.51 113.82 2kb3 n ALA 44 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 53.44 52.36 2kb3 n ALA 44 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 2kb3 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 45 N 1.48 0.81 3.55 0.00 0.00 -1.12 -4.99 105.19 104.91 2kb3 n GLY 45 Ca 0.20 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 2kb3 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kb3 s SER 46 N -2.59 4.13 0.05 1.61 1.04 -1.26 -4.96 113.70 111.71 2kb3 s SER 46 Ca 0.00 -0.61 -0.06 0.00 0.48 0.00 0.00 55.95 55.76 2kb3 s SER 46 Cb 0.00 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.45 2kb3 s SER 46 CO 0.00 0.11 0.11 0.00 0.98 0.00 0.00 173.24 174.44 2kb3 s ALA 47 N -1.65 -0.05 0.10 5.32 0.00 -1.26 -1.51 121.76 122.70 2kb3 s ALA 47 Ca 0.24 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2kb3 s ALA 47 Cb -0.09 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2kb3 s ALA 47 CO 0.14 -0.36 -0.04 -0.48 0.00 0.00 0.00 175.76 175.01 2kb3 s LEU 48 N -2.34 2.43 -0.08 0.00 0.05 -0.04 -2.06 118.68 116.64 2kb3 s LEU 48 Ca -0.02 -1.03 0.04 0.00 0.05 0.00 0.00 54.13 53.17 2kb3 s LEU 48 Cb 0.01 0.01 -0.00 0.00 -2.05 0.00 0.00 46.19 44.16 2kb3 s LEU 48 CO -0.06 -0.52 -0.23 -1.48 -0.55 0.00 0.00 176.35 173.51 2kb3 s LEU 49 N -3.03 2.03 -0.13 1.48 2.34 -0.13 -1.17 118.68 120.06 2kb3 s LEU 49 Ca 0.13 -0.51 -0.01 0.00 0.06 0.00 0.00 54.13 53.80 2kb3 s LEU 49 Cb 0.06 -1.31 -0.02 0.00 -0.56 0.00 0.00 46.19 44.36 2kb3 s LEU 49 CO -0.05 0.17 -0.12 0.54 -1.06 0.00 0.00 176.35 175.83 2kb3 s VAL 50 N 0.21 3.14 -0.28 1.48 0.11 0.26 -0.62 120.40 124.69 2kb3 s VAL 50 Ca -0.13 -0.63 -0.29 0.00 -2.93 0.00 0.00 61.98 58.00 2kb3 s VAL 50 Cb -0.16 -2.32 0.01 0.00 -1.53 0.00 0.00 36.38 32.38 2kb3 s VAL 50 CO 0.07 0.52 1.05 -0.69 -3.33 0.00 0.00 175.10 172.72 2kb3 s VAL 51 N 0.36 4.59 -0.11 2.04 1.01 -0.34 -0.30 120.40 127.66 2kb3 s VAL 51 Ca -0.10 1.86 0.11 0.00 0.00 0.00 0.00 61.98 63.85 2kb3 s VAL 51 Cb -0.16 -4.36 -0.24 0.00 0.00 0.00 0.00 36.38 31.63 2kb3 s VAL 51 CO 0.05 -0.34 0.39 1.17 0.00 0.00 0.00 175.10 176.38 2kb3 n LYS 52 N 6.60 0.67 -3.93 2.72 3.00 0.44 0.13 118.16 127.80 2kb3 n LYS 52 Ca 0.12 0.19 -0.10 0.00 -0.00 0.00 0.00 58.31 58.52 2kb3 n LYS 52 Cb 0.47 -1.68 -0.11 0.00 0.00 0.00 0.00 35.03 33.70 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2kb3 s ARG 53 N -2.56 0.31 0.00 1.64 6.06 -0.19 -4.64 118.95 119.57 2kb3 s ARG 53 Ca -0.10 -0.43 0.00 0.00 -2.50 0.00 0.00 55.73 52.70 2kb3 s ARG 53 Cb 0.07 0.12 0.00 0.00 0.06 0.00 0.00 34.95 35.20 2kb3 s ARG 53 CO 0.80 -0.06 0.00 0.41 -2.50 0.00 0.00 175.30 173.96 2kb3 n GLY 54 N 1.84 0.96 0.27 8.12 0.00 -1.26 -2.77 105.19 112.34 2kb3 n GLY 54 Ca -0.21 -2.11 -0.08 0.00 0.00 0.00 0.00 46.02 43.61 2kb3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kb3 h PRO 55 N 7.32 0.84 -0.75 1.61 0.11 -2.00 -2.83 132.00 136.29 2kb3 h PRO 55 Ca 0.00 -0.33 -0.11 0.00 0.11 0.00 0.00 66.00 65.67 2kb3 h PRO 55 Cb 0.00 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.00 2kb3 h PRO 55 CO 0.00 0.96 0.14 0.27 -0.21 0.00 0.00 178.00 179.16 2kb3 n ASN 56 N -4.12 4.53 -4.77 -2.05 6.94 -1.26 -4.97 115.26 109.57 2kb3 n ASN 56 Ca 0.00 -2.90 -0.38 0.00 -0.02 0.00 0.00 54.58 51.28 2kb3 n ASN 56 Cb 0.43 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 37.15 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 s ALA 57 N -2.50 3.15 0.00 -2.53 0.00 -1.07 -3.19 121.76 115.62 2kb3 s ALA 57 Ca 0.45 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2kb3 s ALA 57 Cb 0.35 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2kb3 s ALA 57 CO 0.12 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2kb3 n GLY 58 N 0.63 2.97 3.80 0.00 0.00 0.12 -4.96 105.19 107.75 2kb3 n GLY 58 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2kb3 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 s ALA 59 N -2.68 3.47 -0.03 4.61 0.00 -1.19 -4.86 121.76 121.07 2kb3 s ALA 59 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.23 2kb3 s ALA 59 Cb 0.00 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 2kb3 s ALA 59 CO 0.00 0.33 -0.25 -0.98 0.00 0.00 0.00 175.76 174.86 2kb3 s ARG 60 N -1.49 2.24 -0.06 0.00 1.04 -1.26 -1.20 118.95 118.22 2kb3 s ARG 60 Ca 0.37 -0.92 0.05 0.00 -1.04 0.00 0.00 55.73 54.20 2kb3 s ARG 60 Cb -0.20 -2.08 -0.01 0.00 -2.04 0.00 0.00 34.95 30.62 2kb3 s ARG 60 CO 0.22 0.51 -0.22 -0.06 -0.04 0.00 0.00 175.30 175.72 2kb3 s PHE 61 N -0.49 2.23 0.02 5.89 0.08 0.20 -4.96 117.98 120.95 2kb3 s PHE 61 Ca 0.06 -0.72 -0.07 0.00 0.12 0.00 0.00 56.93 56.32 2kb3 s PHE 61 Cb -0.11 -1.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.81 2kb3 s PHE 61 CO 0.00 -0.25 0.29 -0.48 -0.10 0.00 0.00 175.22 174.69 2kb3 s LEU 62 N 0.03 4.37 -0.34 -0.37 2.34 -1.26 -0.96 118.68 122.49 2kb3 s LEU 62 Ca -0.07 0.61 -0.10 0.00 0.06 0.00 0.00 54.13 54.62 2kb3 s LEU 62 Cb -0.14 -2.72 0.01 0.00 -0.56 0.00 0.00 46.19 42.78 2kb3 s LEU 62 CO 0.04 0.24 0.17 -0.76 -1.06 0.00 0.00 176.35 174.99 2kb3 s LEU 63 N -1.76 4.35 0.00 1.48 1.43 -0.87 -4.89 118.68 118.42 2kb3 s LEU 63 Ca 0.28 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2kb3 s LEU 63 Cb -0.13 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2kb3 s LEU 63 CO 0.16 -0.27 0.20 -0.90 0.23 0.00 0.00 176.35 175.77 2kb3 n ASP 64 N 4.98 0.40 -4.67 2.29 5.75 -1.26 -4.51 116.55 119.52 2kb3 n ASP 64 Ca -0.13 -0.78 -0.33 0.00 -0.01 0.00 0.00 54.79 53.54 2kb3 n ASP 64 Cb 0.48 0.18 -0.09 0.00 -1.03 0.00 0.00 41.12 40.65 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb3 s GLN 65 N -0.18 2.83 0.60 0.11 0.00 -1.26 -5.00 119.66 116.76 2kb3 s GLN 65 Ca 0.00 -0.56 0.29 0.00 -0.00 0.00 0.00 55.36 55.09 2kb3 s GLN 65 Cb 0.00 -2.69 1.51 0.00 0.00 0.00 0.00 33.01 31.83 2kb3 s GLN 65 CO 0.00 0.65 1.92 -1.00 0.00 0.00 0.00 175.29 176.86 2kb3 h PRO 66 N 4.62 0.00 -3.13 9.60 0.13 -1.94 -3.39 132.00 137.89 2kb3 h PRO 66 Ca -0.49 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 2kb3 h PRO 66 Cb 1.18 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 2kb3 h PRO 66 CO 0.56 0.00 -0.64 0.99 -0.23 0.00 0.00 178.00 178.69 2kb3 s THR 67 N -4.56 -0.21 -0.12 1.56 2.01 -1.26 -0.77 115.64 112.28 2kb3 s THR 67 Ca -0.04 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.31 2kb3 s THR 67 Cb 0.15 -0.28 -0.00 0.00 0.01 0.00 0.00 72.50 72.38 2kb3 s THR 67 CO 0.52 0.14 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.49 2kb3 s THR 68 N 2.07 2.40 -0.15 -0.82 2.01 0.54 -4.59 115.64 117.10 2kb3 s THR 68 Ca 0.01 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 2kb3 s THR 68 Cb -0.12 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 2kb3 s THR 68 CO -0.06 0.55 0.12 -0.89 -0.69 0.00 0.00 174.62 173.65 2kb3 s THR 69 N 0.42 5.31 -0.06 -0.82 2.01 -1.26 -0.03 115.64 121.21 2kb3 s THR 69 Ca -0.15 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.05 2kb3 s THR 69 Cb -0.17 -3.35 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 2kb3 s THR 69 CO 0.07 0.54 -0.23 0.00 -0.69 0.00 0.00 174.62 174.31 2kb3 s ALA 70 N -0.42 2.24 0.00 7.40 0.00 0.73 -0.86 121.76 130.85 2kb3 s ALA 70 Ca 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2kb3 s ALA 70 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2kb3 s ALA 70 CO 0.01 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2kb3 n GLY 71 N 2.92 -0.93 3.87 0.00 0.00 -1.15 -0.16 105.19 109.74 2kb3 n GLY 71 Ca -0.17 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 2kb3 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb3 s ARG 72 N -0.13 3.79 0.03 1.61 3.52 -0.33 -1.23 118.95 126.22 2kb3 s ARG 72 Ca 0.00 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 2kb3 s ARG 72 Cb 0.00 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.66 2kb3 s ARG 72 CO 0.00 0.37 0.00 0.72 -0.81 0.00 0.00 175.30 175.58 2kb3 n HIS 73 N 0.06 -0.19 1.04 5.12 8.25 -1.23 -4.48 115.22 123.78 2kb3 n HIS 73 Ca -0.01 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2kb3 n HIS 73 Cb 0.52 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2kb3 n HIS 73 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kb3 n PRO 74 N -2.18 0.61 0.00 -0.41 -0.02 -1.26 -2.81 135.00 128.93 2kb3 n PRO 74 Ca -0.00 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 2kb3 n PRO 74 Cb 0.03 -1.10 0.62 0.00 -0.02 0.00 0.00 33.50 33.04 2kb3 n PRO 74 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kb3 n GLU 75 N -0.29 0.55 -4.43 -0.52 -0.58 -1.26 -4.71 120.64 109.40 2kb3 n GLU 75 Ca 0.00 -0.16 -0.30 0.00 -0.42 0.00 0.00 57.16 56.29 2kb3 n GLU 75 Cb 0.05 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.30 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kb3 s SER 76 N -2.55 3.66 0.19 1.62 0.01 -1.12 -4.25 113.70 111.26 2kb3 s SER 76 Ca 0.27 -0.59 -0.11 0.00 1.31 0.00 0.00 55.95 56.82 2kb3 s SER 76 Cb 0.20 -0.45 0.18 0.00 0.21 0.00 0.00 66.02 66.16 2kb3 s SER 76 CO 0.49 0.20 1.80 0.44 0.41 0.00 0.00 173.24 176.57 2kb3 h ASP 77 N 3.99 0.47 -3.61 2.44 5.19 -1.28 -3.38 116.42 120.24 2kb3 h ASP 77 Ca -0.50 0.03 -0.62 0.00 -0.62 0.00 0.00 57.03 55.32 2kb3 h ASP 77 Cb 1.16 -0.07 -0.15 0.00 0.18 0.00 0.00 39.33 40.46 2kb3 h ASP 77 CO 0.44 0.32 -0.51 -0.63 -3.12 0.00 0.00 179.24 175.74 2kb3 s ILE 78 N -6.12 5.33 -0.18 0.35 -1.09 -0.39 -5.00 121.20 114.10 2kb3 s ILE 78 Ca -0.13 0.17 -0.21 0.00 -2.23 0.00 0.00 60.65 58.25 2kb3 s ILE 78 Cb 0.15 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 2kb3 s ILE 78 CO 0.75 0.34 0.64 0.12 -1.23 0.00 0.00 174.94 175.55 2kb3 s PHE 79 N 1.13 3.40 0.00 3.97 5.36 -1.26 -2.91 117.98 127.67 2kb3 s PHE 79 Ca 0.07 0.97 0.06 0.00 -0.96 0.00 0.00 56.93 57.07 2kb3 s PHE 79 Cb -0.14 -2.80 -0.02 0.00 -0.34 0.00 0.00 43.02 39.73 2kb3 s PHE 79 CO 0.05 -0.14 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.98 2kb3 s LEU 80 N 1.76 2.07 -0.27 6.12 1.02 -0.36 -4.96 118.68 124.05 2kb3 s LEU 80 Ca 0.30 -0.37 -0.07 0.00 0.02 0.00 0.00 54.13 54.01 2kb3 s LEU 80 Cb -0.16 -0.90 -0.01 0.00 0.02 0.00 0.00 46.19 45.14 2kb3 s LEU 80 CO 0.11 0.19 0.07 -0.62 0.02 0.00 0.00 176.35 176.13 2kb3 s ASP 81 N -0.61 5.11 0.47 2.29 2.15 -1.26 -3.47 116.67 121.35 2kb3 s ASP 81 Ca 0.07 -0.46 0.08 0.00 0.43 0.00 0.00 52.55 52.66 2kb3 s ASP 81 Cb -0.07 -1.90 0.01 0.00 -0.30 0.00 0.00 42.92 40.66 2kb3 s ASP 81 CO -0.00 -0.11 0.48 -0.62 -0.17 0.00 0.00 175.17 174.74 2kb3 s ASP 82 N 1.56 5.05 0.23 -0.34 -1.08 -1.26 -4.65 116.67 116.17 2kb3 s ASP 82 Ca 0.05 -0.83 0.16 0.00 -0.52 0.00 0.00 52.55 51.41 2kb3 s ASP 82 Cb -0.16 -0.23 0.02 0.00 -1.46 0.00 0.00 42.92 41.09 2kb3 s ASP 82 CO 0.03 -0.88 1.28 0.58 0.52 0.00 0.00 175.17 176.70 2kb3 h VAL 83 N 0.78 0.71 -4.10 1.11 2.07 -1.98 -3.46 116.25 111.38 2kb3 h VAL 83 Ca -0.38 -2.08 -0.24 0.00 0.82 0.00 0.00 66.70 64.82 2kb3 h VAL 83 Cb 1.28 2.28 -0.05 0.00 -1.52 0.00 0.00 31.29 33.28 2kb3 h VAL 83 CO 0.53 0.41 -0.18 0.41 0.02 0.00 0.00 177.57 178.75 2kb3 n THR 84 N -3.11 0.00 -3.41 2.57 -1.04 -1.26 -5.09 114.28 102.94 2kb3 n THR 84 Ca -0.01 -0.92 -0.44 0.00 -2.04 0.00 0.00 64.05 60.64 2kb3 n THR 84 Cb 0.75 0.25 -0.06 0.00 -1.82 0.00 0.00 70.33 69.44 2kb3 n THR 84 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2kb3 s VAL 85 N -1.88 4.84 -0.53 12.58 1.01 -1.26 -5.00 120.40 130.16 2kb3 s VAL 85 Ca 0.03 -1.66 -0.26 0.00 0.00 0.00 0.00 61.98 60.09 2kb3 s VAL 85 Cb 0.00 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2kb3 s VAL 85 CO 0.02 -0.84 1.02 -0.94 0.00 0.00 0.00 175.10 174.36 2kb3 s SER 86 N 3.17 6.44 0.38 3.32 1.04 -1.26 -4.79 113.70 121.99 2kb3 s SER 86 Ca 0.05 -0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.53 2kb3 s SER 86 Cb -0.28 -2.48 0.75 0.00 0.10 0.00 0.00 66.02 64.11 2kb3 s SER 86 CO 0.01 -1.24 1.90 0.08 0.98 0.00 0.00 173.24 174.97 2kb3 h ARG 87 N 9.30 0.27 -1.11 4.02 -0.00 -1.86 -0.86 114.38 124.15 2kb3 h ARG 87 Ca -0.25 -0.06 0.16 0.00 -0.00 0.00 0.00 59.98 59.83 2kb3 h ARG 87 Cb 1.07 -0.04 -0.24 0.00 -0.00 0.00 0.00 29.97 30.77 2kb3 h ARG 87 CO 1.10 0.41 0.18 0.50 -0.00 0.00 0.00 179.97 182.16 2kb3 s ARG 88 N -4.73 0.32 -0.26 0.08 3.52 -1.26 -4.17 118.95 112.45 2kb3 s ARG 88 Ca -0.06 0.81 -0.15 0.00 -0.13 0.00 0.00 55.73 56.20 2kb3 s ARG 88 Cb 0.15 0.49 -0.11 0.00 -1.56 0.00 0.00 34.95 33.92 2kb3 s ARG 88 CO 0.74 -0.11 -0.34 1.58 -0.81 0.00 0.00 175.30 176.36 2kb3 n HIS 89 N 5.03 0.04 -3.95 5.12 -0.00 0.77 -4.21 115.22 118.02 2kb3 n HIS 89 Ca -0.09 0.02 -0.09 0.00 -0.00 0.00 0.00 57.72 57.56 2kb3 n HIS 89 Cb 0.52 -0.90 -0.09 0.00 -0.00 0.00 0.00 29.99 29.52 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb3 s ALA 90 N -2.59 0.04 -0.06 1.57 0.00 -0.93 0.14 121.76 119.93 2kb3 s ALA 90 Ca -0.36 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2kb3 s ALA 90 Cb 0.12 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.58 2kb3 s ALA 90 CO 0.48 -0.39 -0.16 -1.83 0.00 0.00 0.00 175.76 173.86 2kb3 s GLU 91 N -3.35 1.96 -0.32 0.00 -1.05 0.61 -0.19 118.70 116.36 2kb3 s GLU 91 Ca 0.01 -0.57 -0.09 0.00 -0.15 0.00 0.00 54.97 54.17 2kb3 s GLU 91 Cb 0.03 -1.61 0.01 0.00 -0.44 0.00 0.00 34.13 32.12 2kb3 s GLU 91 CO -0.08 0.14 0.15 -0.06 0.95 0.00 0.00 175.26 176.35 2kb3 s PHE 92 N 0.37 3.19 -0.15 4.83 0.40 0.96 -0.32 117.98 127.26 2kb3 s PHE 92 Ca -0.11 -0.82 -0.06 0.00 -0.60 0.00 0.00 56.93 55.34 2kb3 s PHE 92 Cb -0.15 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 2kb3 s PHE 92 CO 0.04 -0.55 0.05 1.03 0.70 0.00 0.00 175.22 176.50 2kb3 s ARG 93 N 1.56 3.68 -0.34 0.44 0.52 0.67 -0.34 118.95 125.15 2kb3 s ARG 93 Ca 0.03 -0.34 -0.10 0.00 -0.52 0.00 0.00 55.73 54.80 2kb3 s ARG 93 Cb -0.18 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.19 2kb3 s ARG 93 CO 0.05 0.44 0.17 0.42 0.02 0.00 0.00 175.30 176.40 2kb3 s ILE 94 N -0.10 4.60 -0.10 1.52 1.01 0.05 -0.68 121.20 127.50 2kb3 s ILE 94 Ca 0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 2kb3 s ILE 94 Cb -0.12 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 38.95 2kb3 s ILE 94 CO 0.01 -0.05 -0.01 0.21 0.00 0.00 0.00 174.94 175.11 2kb3 s ASN 95 N 1.59 1.87 -1.47 3.58 2.47 0.74 -4.72 114.94 119.00 2kb3 s ASN 95 Ca 0.04 -0.22 -0.11 0.00 0.42 0.00 0.00 52.86 52.99 2kb3 s ASN 95 Cb -0.18 -0.52 0.06 0.00 -1.45 0.00 0.00 41.25 39.16 2kb3 s ASN 95 CO 0.06 -0.20 0.82 -0.62 -3.72 0.00 0.00 177.10 173.45 2kb3 n GLU 96 N 5.10 -5.15 -0.22 0.43 -0.58 -1.26 -0.87 120.64 118.10 2kb3 n GLU 96 Ca -0.08 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 2kb3 n GLU 96 Cb 0.50 -5.51 0.00 0.00 -0.57 0.00 0.00 31.44 25.85 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kb3 n GLY 97 N -1.57 1.72 3.85 0.62 0.00 -1.26 -5.02 105.19 103.52 2kb3 n GLY 97 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2kb3 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb3 s GLU 98 N -0.30 3.16 -0.23 1.61 2.02 -0.05 -4.97 118.70 119.94 2kb3 s GLU 98 Ca 0.00 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 2kb3 s GLU 98 Cb 0.00 -2.89 0.02 0.00 0.10 0.00 0.00 34.13 31.37 2kb3 s GLU 98 CO 0.00 0.59 -0.09 -0.06 0.02 0.00 0.00 175.26 175.72 2kb3 s PHE 99 N -1.44 2.99 -0.16 1.61 0.40 -1.26 -0.19 117.98 119.93 2kb3 s PHE 99 Ca 0.32 -1.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.12 2kb3 s PHE 99 Cb -0.13 -2.03 -0.02 0.00 0.51 0.00 0.00 43.02 41.36 2kb3 s PHE 99 CO 0.25 -0.72 -0.08 -1.83 0.70 0.00 0.00 175.22 173.53 2kb3 s GLU 100 N 1.33 3.47 -0.22 0.44 -1.05 0.14 -1.92 118.70 120.89 2kb3 s GLU 100 Ca 0.02 -0.62 -0.07 0.00 -0.15 0.00 0.00 54.97 54.15 2kb3 s GLU 100 Cb -0.16 -2.82 -0.03 0.00 -0.44 0.00 0.00 34.13 30.69 2kb3 s GLU 100 CO -0.06 0.11 0.06 0.08 0.95 0.00 0.00 175.26 176.40 2kb3 s VAL 101 N 0.65 4.45 -0.18 1.83 1.01 0.75 -0.24 120.40 128.68 2kb3 s VAL 101 Ca -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2kb3 s VAL 101 Cb -0.15 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 2kb3 s VAL 101 CO 0.02 0.39 -0.12 -0.69 0.00 0.00 0.00 175.10 174.71 2kb3 s VAL 102 N 1.08 2.88 -0.06 2.92 1.01 0.57 -0.86 120.40 127.94 2kb3 s VAL 102 Ca 0.04 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 2kb3 s VAL 102 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2kb3 s VAL 102 CO 0.03 0.49 0.63 -0.62 0.00 0.00 0.00 175.10 175.63 2kb3 s ASP 103 N 1.09 6.94 -0.02 3.32 2.15 0.20 -0.29 116.67 130.07 2kb3 s ASP 103 Ca 0.00 1.12 0.03 0.00 0.43 0.00 0.00 52.55 54.13 2kb3 s ASP 103 Cb -0.14 -2.38 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 2kb3 s ASP 103 CO -0.03 -0.03 0.85 1.33 -0.17 0.00 0.00 175.17 177.12 2kb3 n VAL 104 N 3.46 0.66 -1.61 1.11 0.24 0.12 -4.73 118.33 117.58 2kb3 n VAL 104 Ca -0.04 -0.72 -0.15 0.00 -2.04 0.00 0.00 64.34 61.40 2kb3 n VAL 104 Cb 0.51 0.56 0.13 0.00 -1.47 0.00 0.00 33.84 33.57 2kb3 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb3 n GLY 105 N -0.40 5.51 0.06 7.63 0.00 0.05 -4.69 105.19 113.34 2kb3 n GLY 105 Ca 0.02 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.26 2kb3 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb3 n SER 106 N -0.97 0.21 0.20 1.61 7.64 -1.26 -0.81 113.62 120.23 2kb3 n SER 106 Ca 0.41 0.59 0.06 0.00 1.01 0.00 0.00 58.87 60.94 2kb3 n SER 106 Cb 0.95 -0.62 0.38 0.00 -1.01 0.00 0.00 64.21 63.92 2kb3 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb3 h LEU 107 N 0.00 0.00 0.00 -3.43 -0.00 -1.93 -2.39 115.31 107.56 2kb3 h LEU 107 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kb3 h LEU 107 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2kb3 h LEU 107 CO 0.00 0.34 -0.99 0.59 -0.00 0.00 0.00 178.44 178.38 2kb3 n ASN 108 N -3.58 0.77 -1.13 -0.43 4.13 0.01 -2.49 115.26 112.55 2kb3 n ASN 108 Ca -0.00 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.49 2kb3 n ASN 108 Cb 0.47 0.50 0.00 0.00 -1.54 0.00 0.00 39.78 39.22 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kb3 n GLY 109 N 1.23 0.66 3.75 7.41 0.00 -0.90 -4.59 105.19 112.75 2kb3 n GLY 109 Ca 0.01 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N -2.75 2.55 -0.10 2.61 2.01 -1.26 -4.55 115.64 114.15 2kb3 s THR 110 Ca 0.00 0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.49 2kb3 s THR 110 Cb 0.00 -3.30 0.01 0.00 0.01 0.00 0.00 72.50 69.23 2kb3 s THR 110 CO 0.00 0.08 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.55 2kb3 s TYR 111 N -0.11 1.84 -0.27 4.92 2.02 -0.87 -4.05 117.35 120.83 2kb3 s TYR 111 Ca 0.59 -0.81 -0.07 0.00 -0.37 0.00 0.00 57.07 56.41 2kb3 s TYR 111 Cb -0.43 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 2kb3 s TYR 111 CO 0.45 -0.42 0.06 0.08 -1.57 0.00 0.00 175.55 174.16 2kb3 s VAL 112 N 0.89 4.04 -1.35 0.71 1.01 0.12 -0.12 120.40 125.69 2kb3 s VAL 112 Ca -0.09 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2kb3 s VAL 112 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2kb3 s VAL 112 CO 0.00 0.21 0.57 -3.20 0.00 0.00 0.00 175.10 172.68 2kb3 n ASN 113 N 4.88 -0.75 0.00 3.32 2.85 0.12 -1.42 115.26 124.26 2kb3 n ASN 113 Ca -0.16 -0.91 0.00 0.00 -0.11 0.00 0.00 54.58 53.41 2kb3 n ASN 113 Cb 0.50 -3.59 0.00 0.00 1.24 0.00 0.00 39.78 37.92 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb3 n ARG 114 N -4.33 -0.73 -4.67 1.20 1.74 -1.26 -4.99 116.66 103.62 2kb3 n ARG 114 Ca -0.31 0.18 -0.23 0.00 -0.77 0.00 0.00 57.85 56.72 2kb3 n ARG 114 Cb 0.68 -3.82 -0.15 0.00 -1.02 0.00 0.00 32.46 28.15 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb3 s GLU 115 N -0.83 1.32 0.11 5.56 2.02 -0.51 -5.03 118.70 121.34 2kb3 s GLU 115 Ca 0.00 -0.51 -0.31 0.00 0.02 0.00 0.00 54.97 54.17 2kb3 s GLU 115 Cb 0.00 -1.23 -0.10 0.00 0.10 0.00 0.00 34.13 32.90 2kb3 s GLU 115 CO 0.00 0.26 1.88 -2.14 0.02 0.00 0.00 175.26 175.27 2kb3 s PRO 116 N -0.13 4.13 -0.16 0.39 0.02 -1.26 0.14 135.00 138.14 2kb3 s PRO 116 Ca 0.01 2.62 -0.14 0.00 0.02 0.00 0.00 61.00 63.52 2kb3 s PRO 116 Cb -0.08 -3.74 0.04 0.00 0.02 0.00 0.00 34.50 30.75 2kb3 s PRO 116 CO 0.00 -0.88 0.41 0.50 -0.33 0.00 0.00 177.00 176.71 2kb3 s ARG 117 N 3.18 0.47 -0.22 5.54 6.06 -1.26 -4.88 118.95 127.84 2kb3 s ARG 117 Ca 0.83 0.60 -0.16 0.00 -2.50 0.00 0.00 55.73 54.50 2kb3 s ARG 117 Cb -0.46 0.20 -0.12 0.00 0.06 0.00 0.00 34.95 34.63 2kb3 s ARG 117 CO 0.38 -0.07 -0.14 0.09 -2.50 0.00 0.00 175.30 173.06 2kb3 n ASN 118 N 3.07 1.90 -4.26 -2.12 4.13 -1.26 -4.74 115.26 111.98 2kb3 n ASN 118 Ca -0.15 0.41 -0.30 0.00 1.68 0.00 0.00 54.58 56.22 2kb3 n ASN 118 Cb 0.57 -0.86 -0.16 0.00 -1.54 0.00 0.00 39.78 37.78 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 119 N -2.56 2.06 -0.15 5.41 0.00 -1.26 0.63 121.76 125.88 2kb3 s ALA 119 Ca -0.30 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.50 2kb3 s ALA 119 Cb 0.08 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.63 2kb3 s ALA 119 CO 0.47 0.42 0.43 -1.14 0.00 0.00 0.00 175.76 175.94 2kb3 s GLN 120 N -0.25 0.51 -0.35 0.00 -0.44 -0.04 -5.00 119.66 114.09 2kb3 s GLN 120 Ca -0.00 0.57 -0.16 0.00 -2.50 0.00 0.00 55.36 53.26 2kb3 s GLN 120 Cb -0.12 0.25 -0.01 0.00 -1.64 0.00 0.00 33.01 31.49 2kb3 s GLN 120 CO 0.02 -0.07 0.40 0.08 0.50 0.00 0.00 175.29 176.23 2kb3 s VAL 121 N 0.16 5.13 0.15 1.34 1.01 -1.26 -0.18 120.40 126.76 2kb3 s VAL 121 Ca -0.01 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 2kb3 s VAL 121 Cb -0.03 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2kb3 s VAL 121 CO 0.01 -0.16 0.55 -0.04 0.00 0.00 0.00 175.10 175.46 2kb3 s MET 122 N 2.11 3.97 0.23 2.72 1.00 -0.81 -5.00 119.30 123.53 2kb3 s MET 122 Ca 0.13 0.48 0.09 0.00 0.00 0.00 0.00 55.69 56.39 2kb3 s MET 122 Cb -0.16 -2.91 -0.04 0.00 0.00 0.00 0.00 34.83 31.72 2kb3 s MET 122 CO 0.12 0.46 0.02 -0.65 0.00 0.00 0.00 175.02 174.97 2kb3 s GLN 123 N -2.03 2.39 0.01 2.03 -0.21 -1.26 -4.73 119.66 115.87 2kb3 s GLN 123 Ca 0.39 -1.28 -0.32 0.00 0.02 0.00 0.00 55.36 54.17 2kb3 s GLN 123 Cb -0.15 -2.27 -0.10 0.00 1.00 0.00 0.00 33.01 31.49 2kb3 s GLN 123 CO 0.19 0.40 1.92 2.41 -2.12 0.00 0.00 175.29 178.09 2kb3 n THR 124 N -0.66 0.64 -0.01 -0.19 -1.04 -1.26 -1.54 114.28 110.22 2kb3 n THR 124 Ca -0.08 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2kb3 n THR 124 Cb 0.58 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 2kb3 n THR 124 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 125 N 4.44 0.58 3.81 3.41 0.00 -0.06 -4.35 105.19 113.02 2kb3 n GLY 125 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2kb3 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb3 s ASP 126 N -2.85 7.08 0.05 1.61 2.15 -0.59 -4.26 116.67 119.87 2kb3 s ASP 126 Ca 0.00 1.32 0.08 0.00 0.43 0.00 0.00 52.55 54.38 2kb3 s ASP 126 Cb 0.00 -2.38 -0.03 0.00 -0.30 0.00 0.00 42.92 40.21 2kb3 s ASP 126 CO 0.00 0.20 -0.21 -1.61 -0.17 0.00 0.00 175.17 173.37 2kb3 s GLU 127 N -1.40 1.38 -0.10 4.34 2.02 -1.26 -1.46 118.70 122.22 2kb3 s GLU 127 Ca 0.34 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.36 2kb3 s GLU 127 Cb -0.19 -1.53 -0.01 0.00 0.10 0.00 0.00 34.13 32.50 2kb3 s GLU 127 CO 0.21 0.39 -0.17 0.42 0.02 0.00 0.00 175.26 176.12 2kb3 s ILE 128 N -0.86 2.72 -0.38 -1.63 1.01 0.22 0.12 121.20 122.41 2kb3 s ILE 128 Ca 0.08 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 2kb3 s ILE 128 Cb -0.09 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.31 2kb3 s ILE 128 CO 0.02 0.55 0.22 -1.58 0.00 0.00 0.00 174.94 174.15 2kb3 s GLN 129 N 0.05 2.88 -0.39 2.79 2.00 0.83 -0.58 119.66 127.24 2kb3 s GLN 129 Ca -0.07 -1.05 -0.06 0.00 -2.00 0.00 0.00 55.36 52.18 2kb3 s GLN 129 Cb -0.15 -3.77 0.07 0.00 0.80 0.00 0.00 33.01 29.97 2kb3 s GLN 129 CO 0.05 -0.69 0.18 0.42 -0.50 0.00 0.00 175.29 174.75 2kb3 s ILE 130 N 1.58 3.78 0.00 -2.34 1.01 0.11 -2.04 121.20 123.30 2kb3 s ILE 130 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.19 2kb3 s ILE 130 Cb -0.19 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 38.96 2kb3 s ILE 130 CO 0.07 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.19 2kb3 n GLY 131 N 4.79 1.41 0.00 6.18 0.00 -1.26 -1.01 105.19 115.30 2kb3 n GLY 131 Ca -0.09 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kb3 n LYS 132 N 0.00 2.62 -4.72 1.61 2.85 -1.26 -4.78 118.16 114.47 2kb3 n LYS 132 Ca 0.00 -1.41 -0.29 0.00 -1.05 0.00 0.00 58.31 55.56 2kb3 n LYS 132 Cb 0.00 -1.00 -0.14 0.00 -0.65 0.00 0.00 35.03 33.24 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2kb3 s PHE 133 N -0.90 2.29 -0.12 5.58 -0.71 -0.18 -4.85 117.98 119.09 2kb3 s PHE 133 Ca 0.00 -0.40 -0.00 0.00 -1.04 0.00 0.00 56.93 55.49 2kb3 s PHE 133 Cb 0.00 -1.33 -0.02 0.00 -1.21 0.00 0.00 43.02 40.46 2kb3 s PHE 133 CO 0.00 0.19 -0.10 0.50 -1.34 0.00 0.00 175.22 174.47 2kb3 s ARG 134 N -1.51 3.27 -0.02 1.99 3.52 -1.12 0.08 118.95 125.17 2kb3 s ARG 134 Ca 0.12 -0.63 0.07 0.00 -0.13 0.00 0.00 55.73 55.16 2kb3 s ARG 134 Cb -0.10 -2.66 -0.02 0.00 -1.56 0.00 0.00 34.95 30.61 2kb3 s ARG 134 CO 0.03 0.32 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.09 2kb3 s LEU 135 N 0.09 2.05 -0.14 -0.88 1.02 0.26 -0.42 118.68 120.66 2kb3 s LEU 135 Ca -0.04 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 53.66 2kb3 s LEU 135 Cb -0.14 -1.25 -0.02 0.00 0.02 0.00 0.00 46.19 44.80 2kb3 s LEU 135 CO 0.04 0.30 -0.09 -0.69 0.02 0.00 0.00 176.35 175.92 2kb3 s VAL 136 N -0.56 3.40 -0.19 -1.59 1.01 0.59 -0.61 120.40 122.44 2kb3 s VAL 136 Ca 0.09 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 2kb3 s VAL 136 Cb -0.09 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2kb3 s VAL 136 CO -0.01 0.51 0.06 0.12 0.00 0.00 0.00 175.10 175.78 2kb3 s PHE 137 N 0.32 3.21 -0.01 5.22 5.36 -0.54 -0.57 117.98 130.98 2kb3 s PHE 137 Ca -0.08 -0.01 -0.00 0.00 -0.96 0.00 0.00 56.93 55.88 2kb3 s PHE 137 Cb -0.15 -2.10 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 2kb3 s PHE 137 CO 0.05 0.07 0.02 -0.48 -1.46 0.00 0.00 175.22 173.41 2kb3 s LEU 138 N 0.55 1.58 -0.24 6.12 -0.00 -0.32 -0.88 118.68 125.50 2kb3 s LEU 138 Ca 0.03 0.02 -0.11 0.00 -0.00 0.00 0.00 54.13 54.07 2kb3 s LEU 138 Cb -0.13 -0.02 -0.05 0.00 -0.00 0.00 0.00 46.19 45.99 2kb3 s LEU 138 CO 0.01 -0.06 0.19 0.00 -0.00 0.00 0.00 176.35 176.50 2kb3 s ALA 139 N 0.47 3.60 0.00 1.48 0.00 -1.26 -0.86 121.76 125.19 2kb3 s ALA 139 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2kb3 s ALA 139 Cb -0.06 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2kb3 s ALA 139 CO -0.01 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2kb3 n GLY 140 N 4.25 0.79 3.65 0.00 0.00 -0.57 -4.74 105.19 108.56 2kb3 n GLY 140 Ca -0.14 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2kb3 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kb3 n PRO 141 N 0.00 1.64 -3.24 1.61 -0.04 -1.26 -4.69 135.00 129.02 2kb3 n PRO 141 Ca 0.00 0.58 -0.08 0.00 -0.04 0.00 0.00 63.50 63.97 2kb3 n PRO 141 Cb 0.00 -2.15 -0.04 0.00 -0.04 0.00 0.00 33.50 31.27 2kb3 n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 s ALA 142 N -1.19 -1.44 0.00 0.55 0.00 -1.26 -4.50 121.76 113.92 2kb3 s ALA 142 Ca 0.60 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2kb3 s ALA 142 Cb -0.57 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2kb3 s ALA 142 CO 0.59 -2.19 0.15 -1.91 0.00 0.00 0.00 175.76 172.39