#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 6.56 0.77 3.17 0.01 -1.26 -5.00 113.70 117.94 2kb3 s SER 2 Ca 0.00 2.61 -0.04 0.00 1.31 0.00 0.00 55.95 59.82 2kb3 s SER 2 Cb 0.00 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.77 2kb3 s SER 2 CO 0.00 -0.88 0.81 -0.90 0.41 0.00 0.00 173.24 172.68 2kb3 n ASP 3 N 4.72 0.66 -4.55 2.44 5.68 -1.26 -4.97 116.55 119.27 2kb3 n ASP 3 Ca 0.15 -1.65 -0.39 0.00 -0.50 0.00 0.00 54.79 52.40 2kb3 n ASP 3 Cb 0.39 -0.56 -0.03 0.00 -1.14 0.00 0.00 41.12 39.78 2kb3 n ASP 3 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2kb3 s ASN 4 N -4.14 5.52 -0.69 -1.12 -0.87 -1.26 -4.92 114.94 107.46 2kb3 s ASN 4 Ca 0.50 0.10 -0.21 0.00 -1.57 0.00 0.00 52.86 51.68 2kb3 s ASN 4 Cb -0.02 -2.54 0.09 0.00 -0.02 0.00 0.00 41.25 38.76 2kb3 s ASN 4 CO 0.34 -2.23 0.93 0.21 -2.57 0.00 0.00 177.10 173.77 2kb3 s ASN 5 N 6.89 6.25 0.06 -1.22 2.47 -1.26 -5.00 114.94 123.13 2kb3 s ASN 5 Ca 0.58 -1.27 0.00 0.00 0.42 0.00 0.00 52.86 52.59 2kb3 s ASN 5 Cb -0.11 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 2kb3 s ASN 5 CO 0.19 -1.30 0.00 0.61 -3.72 0.00 0.00 177.10 172.88 2kb3 n GLY 6 N 5.33 1.69 3.04 1.21 0.00 -1.26 -5.11 105.19 110.10 2kb3 n GLY 6 Ca -0.01 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 1.09 1.52 0.62 2.61 2.01 -1.26 -5.12 115.64 117.11 2kb3 s THR 7 Ca 0.00 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 2kb3 s THR 7 Cb 0.00 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2kb3 s THR 7 CO 0.00 0.45 1.04 -2.65 -0.69 0.00 0.00 174.62 172.76 2kb3 n PRO 8 N 4.38 0.91 -2.54 4.92 -0.02 -1.26 -4.91 135.00 136.47 2kb3 n PRO 8 Ca -0.18 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.23 2kb3 n PRO 8 Cb 0.51 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2kb3 n PRO 8 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kb3 s GLU 9 N -2.94 4.26 -0.57 -0.52 8.01 -1.26 -4.90 118.70 120.79 2kb3 s GLU 9 Ca 0.78 1.51 -0.29 0.00 0.01 0.00 0.00 54.97 56.99 2kb3 s GLU 9 Cb -0.40 -3.69 -0.11 0.00 -4.31 0.00 0.00 34.13 25.62 2kb3 s GLU 9 CO 0.45 -0.64 2.44 -2.30 0.01 0.00 0.00 175.26 175.21 2kb3 n PRO 10 N 6.34 0.88 -3.42 0.39 -0.02 -1.26 -4.94 135.00 132.96 2kb3 n PRO 10 Ca 0.13 0.08 -0.19 0.00 -2.02 0.00 0.00 63.50 61.49 2kb3 n PRO 10 Cb 0.46 -2.84 -0.02 0.00 -0.02 0.00 0.00 33.50 31.08 2kb3 n PRO 10 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kb3 s GLN 11 N 8.00 2.74 -0.26 -0.52 -1.52 -1.26 -5.09 119.66 121.76 2kb3 s GLN 11 Ca 1.09 -1.33 -0.07 0.00 -1.95 0.00 0.00 55.36 53.09 2kb3 s GLN 11 Cb -0.54 -2.58 -0.02 0.00 -0.22 0.00 0.00 33.01 29.65 2kb3 s GLN 11 CO 0.35 -0.13 0.07 0.08 -0.25 0.00 0.00 175.29 175.41 2kb3 s VAL 12 N -2.36 4.27 -0.09 1.09 1.01 -1.26 -5.02 120.40 118.04 2kb3 s VAL 12 Ca 0.49 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 2kb3 s VAL 12 Cb -0.07 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.36 2kb3 s VAL 12 CO 0.30 0.30 0.67 -0.70 0.00 0.00 0.00 175.10 175.67 2kb3 s GLU 13 N 1.60 0.99 0.00 2.72 -6.30 -1.26 -5.30 118.70 111.15 2kb3 s GLU 13 Ca 0.06 0.38 0.00 0.00 -2.50 0.00 0.00 54.97 52.91 2kb3 s GLU 13 Cb -0.15 0.47 0.00 0.00 0.00 0.00 0.00 34.13 34.45 2kb3 s GLU 13 CO 0.03 -0.28 0.00 2.41 0.02 0.00 0.00 175.26 177.45 2kb3 n THR 14 N 1.28 0.00 -3.73 -1.70 -1.04 -1.26 -5.20 114.28 102.63 2kb3 n THR 14 Ca -0.18 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.69 2kb3 n THR 14 Cb 0.57 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.98 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kb3 s SER 16 N 0.33 -0.36 -0.34 8.00 0.01 -1.26 -4.87 113.70 115.22 2kb3 s SER 16 Ca 0.00 0.56 -0.18 0.00 1.31 0.00 0.00 55.95 57.64 2kb3 s SER 16 Cb 0.00 0.63 -0.01 0.00 0.21 0.00 0.00 66.02 66.85 2kb3 s SER 16 CO 0.00 -0.28 0.50 -0.69 0.41 0.00 0.00 173.24 173.18 2kb3 s VAL 17 N -0.42 5.04 -0.18 3.43 1.01 -1.26 -4.25 120.40 123.77 2kb3 s VAL 17 Ca -0.06 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 2kb3 s VAL 17 Cb -0.03 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2kb3 s VAL 17 CO 0.03 -0.16 -0.01 0.72 0.00 0.00 0.00 175.10 175.68 2kb3 s PHE 18 N 2.35 3.06 -0.45 5.22 -0.71 -1.25 -5.05 117.98 121.15 2kb3 s PHE 18 Ca 0.18 -0.32 -0.09 0.00 -1.04 0.00 0.00 56.93 55.67 2kb3 s PHE 18 Cb -0.16 -2.03 0.10 0.00 -1.21 0.00 0.00 43.02 39.72 2kb3 s PHE 18 CO 0.13 -0.10 0.31 -0.98 -1.34 0.00 0.00 175.22 173.23 2kb3 s ARG 19 N 0.66 2.51 0.36 1.99 1.70 -1.26 -4.91 118.95 119.99 2kb3 s ARG 19 Ca -0.01 -1.65 0.08 0.00 -0.47 0.00 0.00 55.73 53.69 2kb3 s ARG 19 Cb -0.14 -3.86 -0.04 0.00 -0.57 0.00 0.00 34.95 30.34 2kb3 s ARG 19 CO 0.02 -1.10 0.17 0.00 -1.08 0.00 0.00 175.30 173.31 2kb3 s ALA 20 N 1.38 3.56 -1.30 7.88 0.00 -1.26 -5.00 121.76 127.02 2kb3 s ALA 20 Ca 0.05 -1.88 0.11 0.00 0.00 0.00 0.00 51.96 50.24 2kb3 s ALA 20 Cb -0.25 -0.70 0.51 0.00 0.00 0.00 0.00 23.12 22.68 2kb3 s ALA 20 CO 0.00 -0.02 1.26 -3.47 0.00 0.00 0.00 175.76 173.54 2kb3 n ASP 21 N -1.19 0.00 0.23 0.00 2.03 -1.26 -3.55 116.55 112.81 2kb3 n ASP 21 Ca -0.02 0.24 0.17 0.00 0.52 0.00 0.00 54.79 55.70 2kb3 n ASP 21 Cb 0.62 -0.35 0.86 0.00 -0.72 0.00 0.00 41.12 41.52 2kb3 n ASP 21 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2kb3 h LEU 22 N 0.00 0.00 0.00 -2.67 8.10 -1.97 -0.67 115.31 118.10 2kb3 h LEU 22 Ca 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.80 2kb3 h LEU 22 Cb 0.12 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.32 2kb3 h LEU 22 CO 0.00 0.00 -0.97 -0.07 -4.11 0.00 0.00 178.44 173.29 2kb3 h LEU 23 N 0.00 0.00 -0.62 0.17 3.38 -1.97 -3.37 115.31 112.90 2kb3 h LEU 23 Ca 0.06 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2kb3 h LEU 23 Cb 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2kb3 h LEU 23 CO -0.00 0.86 0.25 0.50 0.09 0.00 0.00 178.44 180.14 2kb3 h LYS 24 N 0.00 0.42 -0.25 1.13 3.11 -1.38 -0.72 116.57 118.88 2kb3 h LYS 24 Ca -0.04 -0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 57.62 2kb3 h LYS 24 Cb 1.69 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.82 2kb3 h LYS 24 CO 0.11 0.28 -0.45 1.05 -2.81 0.00 0.00 179.45 177.62 2kb3 h GLU 25 N 0.44 0.65 0.00 1.90 4.11 -1.72 -3.29 114.58 116.68 2kb3 h GLU 25 Ca 0.31 -0.36 -0.15 0.00 0.07 0.00 0.00 59.36 59.23 2kb3 h GLU 25 Cb 0.38 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2kb3 h GLU 25 CO -0.30 0.97 -0.73 0.00 0.07 0.00 0.00 179.01 179.02 2kb3 h MET 26 N 0.53 0.00 -0.13 1.06 -0.00 -1.36 -3.14 114.93 111.89 2kb3 h MET 26 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.75 2kb3 h MET 26 Cb 0.99 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.58 2kb3 h MET 26 CO 0.09 0.73 0.02 0.93 -0.00 0.00 0.00 176.91 178.68 2kb3 h GLU 27 N 0.00 0.07 0.00 -0.10 5.08 -1.26 0.30 114.58 118.66 2kb3 h GLU 27 Ca -0.01 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2kb3 h GLU 27 Cb 1.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2kb3 h GLU 27 CO 0.09 0.04 -0.28 0.77 -1.00 0.00 0.00 179.01 178.64 2kb3 h SER 28 N 0.07 0.00 1.02 1.42 0.02 -1.70 -2.67 113.55 111.70 2kb3 h SER 28 Ca 0.06 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2kb3 h SER 28 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2kb3 h SER 28 CO -0.09 0.28 -1.02 -1.28 -1.14 0.00 0.00 176.83 173.58 2kb3 h SER 29 N 0.00 0.00 -3.31 3.07 0.87 -1.32 -3.44 113.55 109.42 2kb3 h SER 29 Ca -0.00 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.85 2kb3 h SER 29 Cb 0.65 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.41 2kb3 h SER 29 CO 0.04 0.27 -0.16 -0.89 -0.53 0.00 0.00 176.83 175.56 2kb3 s THR 30 N -3.14 5.07 0.00 2.23 2.01 0.97 -4.67 115.64 118.12 2kb3 s THR 30 Ca -0.00 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.24 2kb3 s THR 30 Cb 0.09 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.41 2kb3 s THR 30 CO 0.78 -0.65 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2kb3 n GLY 31 N 5.18 0.00 3.49 4.40 0.00 -1.26 -4.88 105.19 112.11 2kb3 n GLY 31 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.52 2.85 -0.08 2.61 2.01 -1.26 -5.13 115.64 115.13 2kb3 s THR 32 Ca 0.00 -1.43 -0.00 0.00 0.31 0.00 0.00 61.69 60.57 2kb3 s THR 32 Cb 0.00 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2kb3 s THR 32 CO 0.00 0.15 -0.05 0.00 -0.69 0.00 0.00 174.62 174.03 2kb3 s ALA 33 N -1.10 3.06 0.43 7.40 0.00 -1.26 -5.03 121.76 125.25 2kb3 s ALA 33 Ca 0.17 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 51.01 2kb3 s ALA 33 Cb -0.11 -1.32 -0.09 0.00 0.00 0.00 0.00 23.12 21.61 2kb3 s ALA 33 CO 0.09 0.54 1.39 -1.25 0.00 0.00 0.00 175.76 176.53 2kb3 s PRO 34 N -0.70 3.81 0.05 0.00 0.04 -1.26 -5.03 135.00 131.90 2kb3 s PRO 34 Ca 0.11 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.53 2kb3 s PRO 34 Cb -0.11 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 2kb3 s PRO 34 CO 0.02 -0.69 -0.11 0.00 0.04 0.00 0.00 177.00 176.26 2kb3 s ALA 35 N -1.21 0.86 -0.01 8.56 0.00 -1.26 -4.79 121.76 123.90 2kb3 s ALA 35 Ca 0.59 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.74 2kb3 s ALA 35 Cb -0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 2kb3 s ALA 35 CO 0.54 0.08 -0.14 -1.12 0.00 0.00 0.00 175.76 175.12 2kb3 s SER 36 N -1.59 1.64 -0.34 0.00 0.01 -1.26 -5.08 113.70 107.09 2kb3 s SER 36 Ca -0.06 -0.25 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 2kb3 s SER 36 Cb -0.10 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.94 2kb3 s SER 36 CO 0.01 0.17 1.12 -0.89 0.41 0.00 0.00 173.24 174.06 2kb3 s THR 37 N -0.28 4.40 0.00 1.44 2.01 -1.26 -2.72 115.64 119.22 2kb3 s THR 37 Ca 0.05 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.62 2kb3 s THR 37 Cb -0.06 -4.41 0.00 0.00 0.01 0.00 0.00 72.50 68.04 2kb3 s THR 37 CO -0.00 -0.57 0.00 0.61 -0.69 0.00 0.00 174.62 173.96 2kb3 n GLY 38 N 4.11 1.21 0.38 4.40 0.00 -1.26 -5.00 105.19 109.03 2kb3 n GLY 38 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 h ALA 39 N 0.00 1.27 -0.09 4.61 0.00 -1.90 -1.23 119.26 121.92 2kb3 h ALA 39 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kb3 h ALA 39 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.39 2kb3 h ALA 39 CO 0.00 0.65 0.00 -0.85 0.00 0.00 0.00 179.25 179.05 2kb3 n GLU 40 N -4.39 1.77 -0.07 0.00 0.00 -1.26 -3.37 120.64 113.31 2kb3 n GLU 40 Ca 0.12 -1.13 -0.13 0.00 0.00 0.00 0.00 57.16 56.02 2kb3 n GLU 40 Cb 0.02 -1.45 -0.14 0.00 0.00 0.00 0.00 31.44 29.86 2kb3 n GLU 40 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2kb3 n ASN 41 N 0.36 0.91 -2.81 -1.84 4.05 -0.61 -5.05 115.26 110.27 2kb3 n ASN 41 Ca 0.18 0.10 -0.05 0.00 0.45 0.00 0.00 54.58 55.26 2kb3 n ASN 41 Cb 0.37 0.19 0.01 0.00 1.23 0.00 0.00 39.78 41.58 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2kb3 n LEU 42 N -3.03 -7.94 -0.24 1.20 7.99 -0.57 -4.81 117.00 109.61 2kb3 n LEU 42 Ca -0.31 0.90 -0.10 0.00 -0.01 0.00 0.00 56.01 56.48 2kb3 n LEU 42 Cb 1.08 -3.37 -0.08 0.00 -0.11 0.00 0.00 43.42 40.94 2kb3 n LEU 42 CO 0.40 -2.70 0.49 1.55 -1.51 0.00 0.00 177.39 175.62 2kb3 h PRO 43 N 2.44 -0.15 0.00 3.23 0.13 -1.90 -1.34 132.00 134.41 2kb3 h PRO 43 Ca -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2kb3 h PRO 43 Cb 0.60 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2kb3 h PRO 43 CO 0.16 -0.10 -0.55 0.00 -0.23 0.00 0.00 178.00 177.28 2kb3 n ALA 44 N -3.12 2.99 -0.20 -0.56 0.00 -1.26 -4.92 120.51 113.45 2kb3 n ALA 44 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2kb3 n ALA 44 Cb 0.24 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.37 0.92 3.25 0.00 0.00 -0.51 -4.12 105.19 106.11 2kb3 n GLY 45 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 46 N -2.89 1.38 0.00 1.61 0.01 -1.23 -4.98 113.70 107.60 2kb3 s SER 46 Ca 0.00 -1.15 -0.10 0.00 1.31 0.00 0.00 55.95 56.02 2kb3 s SER 46 Cb 0.00 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.32 2kb3 s SER 46 CO 0.00 -0.52 0.19 0.00 0.41 0.00 0.00 173.24 173.32 2kb3 s ALA 47 N -3.58 -0.46 0.02 1.44 0.00 -1.26 -2.04 121.76 115.90 2kb3 s ALA 47 Ca 0.23 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.16 2kb3 s ALA 47 Cb 0.05 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 2kb3 s ALA 47 CO 0.04 -0.25 -0.04 -0.48 0.00 0.00 0.00 175.76 175.02 2kb3 s LEU 48 N -1.49 2.21 -0.14 0.00 0.05 -0.00 -1.62 118.68 117.68 2kb3 s LEU 48 Ca -0.13 -0.45 -0.05 0.00 0.05 0.00 0.00 54.13 53.55 2kb3 s LEU 48 Cb -0.06 -0.01 -0.04 0.00 -2.05 0.00 0.00 46.19 44.03 2kb3 s LEU 48 CO 0.01 -0.22 0.03 -1.48 -0.55 0.00 0.00 176.35 174.14 2kb3 s LEU 49 N -1.30 3.69 -0.15 1.48 2.34 -0.22 -0.45 118.68 124.08 2kb3 s LEU 49 Ca -0.12 0.10 -0.01 0.00 0.06 0.00 0.00 54.13 54.16 2kb3 s LEU 49 Cb -0.09 -1.90 -0.01 0.00 -0.56 0.00 0.00 46.19 43.63 2kb3 s LEU 49 CO -0.00 0.26 -0.11 -0.69 -1.06 0.00 0.00 176.35 174.74 2kb3 s VAL 50 N -0.14 3.16 -0.23 1.48 1.01 0.49 -0.76 120.40 125.40 2kb3 s VAL 50 Ca 0.06 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2kb3 s VAL 50 Cb -0.12 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 2kb3 s VAL 50 CO 0.02 0.51 1.19 -0.69 0.00 0.00 0.00 175.10 176.12 2kb3 s VAL 51 N 0.54 4.38 -0.07 2.92 1.01 -0.32 -0.16 120.40 128.71 2kb3 s VAL 51 Ca -0.07 1.63 0.05 0.00 0.00 0.00 0.00 61.98 63.59 2kb3 s VAL 51 Cb -0.15 -4.17 -0.24 0.00 0.00 0.00 0.00 36.38 31.81 2kb3 s VAL 51 CO 0.04 -0.27 0.58 0.50 0.00 0.00 0.00 175.10 175.94 2kb3 h LYS 52 N 8.25 0.11 -3.27 2.72 1.63 -1.38 0.36 116.57 125.00 2kb3 h LYS 52 Ca -0.24 -0.19 -0.20 0.00 -0.85 0.00 0.00 60.65 59.18 2kb3 h LYS 52 Cb 1.09 0.07 -0.28 0.00 -0.60 0.00 0.00 32.23 32.51 2kb3 h LYS 52 CO 1.00 0.79 -0.53 0.50 -3.45 0.00 0.00 179.45 177.76 2kb3 s ARG 53 N -2.59 0.18 0.00 1.90 6.06 -0.65 -4.61 118.95 119.25 2kb3 s ARG 53 Ca -0.11 0.30 0.00 0.00 -2.50 0.00 0.00 55.73 53.42 2kb3 s ARG 53 Cb 0.07 0.02 0.00 0.00 0.06 0.00 0.00 34.95 35.10 2kb3 s ARG 53 CO 0.81 -0.07 0.00 0.41 -2.50 0.00 0.00 175.30 173.95 2kb3 n GLY 54 N 3.36 0.46 0.21 8.12 0.00 -1.26 -3.19 105.19 112.89 2kb3 n GLY 54 Ca -0.17 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 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 6.10 0.66 -0.78 1.61 0.11 -1.97 -2.88 132.00 134.86 2kb3 h PRO 55 Ca 0.00 -0.25 -0.10 0.00 0.11 0.00 0.00 66.00 65.76 2kb3 h PRO 55 Cb 0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.01 2kb3 h PRO 55 CO 0.00 0.83 0.13 0.27 -0.21 0.00 0.00 178.00 179.01 2kb3 n ASN 56 N -4.42 4.16 -4.68 -2.05 0.23 -1.26 -4.96 115.26 102.27 2kb3 n ASN 56 Ca -0.02 -2.79 -0.45 0.00 -0.53 0.00 0.00 54.58 50.79 2kb3 n ASN 56 Cb 0.33 -0.66 -0.04 0.00 -2.08 0.00 0.00 39.78 37.33 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kb3 n ALA 57 N 0.15 1.73 0.00 -2.53 0.00 -1.09 -1.40 120.51 117.37 2kb3 n ALA 57 Ca 0.26 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.13 2kb3 n ALA 57 Cb 1.04 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2kb3 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb3 n GLY 58 N 3.57 2.84 3.81 0.00 0.00 0.13 -4.96 105.19 110.58 2kb3 n GLY 58 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.54 3.21 -0.02 4.61 0.00 -0.49 -4.85 121.76 121.67 2kb3 s ALA 59 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.35 2kb3 s ALA 59 Cb 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 2kb3 s ALA 59 CO 0.00 0.21 -0.14 -0.98 0.00 0.00 0.00 175.76 174.85 2kb3 s ARG 60 N -2.54 1.23 -0.08 0.00 1.70 -1.26 -1.17 118.95 116.82 2kb3 s ARG 60 Ca 0.53 -0.51 0.04 0.00 -0.47 0.00 0.00 55.73 55.32 2kb3 s ARG 60 Cb -0.14 -1.17 0.00 0.00 -0.57 0.00 0.00 34.95 33.08 2kb3 s ARG 60 CO 0.19 0.29 -0.21 -0.06 -1.08 0.00 0.00 175.30 174.42 2kb3 s PHE 61 N -0.25 2.27 -0.15 5.89 0.08 0.06 -4.94 117.98 120.94 2kb3 s PHE 61 Ca 0.04 -0.87 -0.20 0.00 0.12 0.00 0.00 56.93 56.02 2kb3 s PHE 61 Cb -0.07 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 2kb3 s PHE 61 CO -0.00 -0.35 0.59 -1.17 -0.10 0.00 0.00 175.22 174.20 2kb3 s LEU 62 N 0.31 4.22 -0.62 -0.37 2.96 -1.26 -1.06 118.68 122.86 2kb3 s LEU 62 Ca -0.15 0.89 -0.26 0.00 -0.22 0.00 0.00 54.13 54.39 2kb3 s LEU 62 Cb -0.17 -2.86 0.04 0.00 0.50 0.00 0.00 46.19 43.70 2kb3 s LEU 62 CO 0.07 -0.15 1.12 -0.76 -1.32 0.00 0.00 176.35 175.30 2kb3 s LEU 63 N 1.28 3.66 0.00 -0.68 1.02 -0.64 -4.67 118.68 118.64 2kb3 s LEU 63 Ca 0.30 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.18 2kb3 s LEU 63 Cb -0.16 -2.86 0.00 0.00 0.02 0.00 0.00 46.19 43.19 2kb3 s LEU 63 CO 0.12 -1.49 0.60 -0.67 0.02 0.00 0.00 176.35 174.93 2kb3 n ASP 64 N 8.31 1.02 -4.71 2.29 2.03 -1.26 -4.62 116.55 119.61 2kb3 n ASP 64 Ca 0.04 -1.35 -0.30 0.00 0.52 0.00 0.00 54.79 53.69 2kb3 n ASP 64 Cb 0.48 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.81 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N -0.35 2.65 0.33 -0.67 -2.07 -1.26 -5.01 119.66 113.28 2kb3 s GLN 65 Ca 0.00 -0.79 0.26 0.00 -1.82 0.00 0.00 55.36 53.02 2kb3 s GLN 65 Cb 0.00 -2.60 1.05 0.00 -1.09 0.00 0.00 33.01 30.37 2kb3 s GLN 65 CO 0.00 0.55 1.78 -1.00 -1.32 0.00 0.00 175.29 175.30 2kb3 h PRO 66 N 3.44 0.00 -2.41 9.60 0.13 -1.92 -3.41 132.00 137.43 2kb3 h PRO 66 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2kb3 h PRO 66 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 2kb3 h PRO 66 CO 0.61 0.00 -0.20 0.99 -0.23 0.00 0.00 178.00 179.18 2kb3 s THR 67 N -3.38 -0.10 -0.18 1.56 2.01 -1.25 -0.88 115.64 113.42 2kb3 s THR 67 Ca 0.04 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.11 2kb3 s THR 67 Cb 0.09 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.86 2kb3 s THR 67 CO 0.45 0.03 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.34 2kb3 s THR 68 N 1.63 2.29 -0.16 -0.82 2.01 0.72 -4.94 115.64 116.37 2kb3 s THR 68 Ca -0.09 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 60.90 2kb3 s THR 68 Cb -0.08 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 2kb3 s THR 68 CO -0.15 0.52 0.29 -0.89 -0.69 0.00 0.00 174.62 173.70 2kb3 s THR 69 N 1.19 5.31 -0.02 -0.82 2.01 -1.26 -0.11 115.64 121.93 2kb3 s THR 69 Ca 0.02 0.54 0.07 0.00 0.31 0.00 0.00 61.69 62.63 2kb3 s THR 69 Cb -0.14 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2kb3 s THR 69 CO -0.09 0.39 -0.25 0.00 -0.69 0.00 0.00 174.62 173.99 2kb3 s ALA 70 N 0.44 2.05 0.00 7.40 0.00 0.22 -1.20 121.76 130.68 2kb3 s ALA 70 Ca 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2kb3 s ALA 70 Cb -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.45 2kb3 s ALA 70 CO 0.04 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.70 2kb3 n GLY 71 N 2.54 -0.38 3.12 0.00 0.00 -0.87 -1.72 105.19 107.88 2kb3 n GLY 71 Ca -0.16 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.00 2.79 0.00 1.61 3.52 0.14 -0.21 118.95 124.80 2kb3 s ARG 72 Ca 0.00 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.63 2kb3 s ARG 72 Cb 0.00 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 2kb3 s ARG 72 CO 0.00 -0.32 0.00 1.58 -0.81 0.00 0.00 175.30 175.75 2kb3 n HIS 73 N 4.58 0.00 0.15 5.12 -0.00 -1.26 -3.42 115.22 120.39 2kb3 n HIS 73 Ca -0.19 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.01 2kb3 n HIS 73 Cb 0.48 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.44 2kb3 n HIS 73 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2kb3 n PRO 74 N -1.35 0.01 0.21 1.57 -0.02 -1.26 -1.34 135.00 132.82 2kb3 n PRO 74 Ca 0.00 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 2kb3 n PRO 74 Cb 0.00 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.42 2kb3 n PRO 74 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kb3 h GLU 75 N 0.00 0.00 -5.15 -0.52 3.07 -1.93 -3.42 114.58 106.63 2kb3 h GLU 75 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 2kb3 h GLU 75 Cb 0.07 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.83 2kb3 h GLU 75 CO 0.00 0.00 -0.39 -1.12 -1.40 0.00 0.00 179.01 176.10 2kb3 s SER 76 N -5.49 6.20 0.16 1.42 0.01 -0.45 -4.81 113.70 110.73 2kb3 s SER 76 Ca 0.05 0.22 -0.13 0.00 1.31 0.00 0.00 55.95 57.40 2kb3 s SER 76 Cb 0.08 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 64.21 2kb3 s SER 76 CO 0.57 -0.02 1.68 -0.78 0.41 0.00 0.00 173.24 175.10 2kb3 h ASP 77 N 7.71 0.80 -3.22 2.44 1.82 -1.42 -3.35 116.42 121.20 2kb3 h ASP 77 Ca -0.36 -0.21 -0.70 0.00 -0.39 0.00 0.00 57.03 55.37 2kb3 h ASP 77 Cb 1.17 -0.21 -0.19 0.00 0.68 0.00 0.00 39.33 40.78 2kb3 h ASP 77 CO 0.65 0.80 -0.02 -0.63 -1.61 0.00 0.00 179.24 178.43 2kb3 s ILE 78 N -5.38 4.95 -0.37 2.25 -1.09 -0.54 -5.01 121.20 116.01 2kb3 s ILE 78 Ca -0.13 -0.68 -0.23 0.00 -2.23 0.00 0.00 60.65 57.39 2kb3 s ILE 78 Cb 0.12 -4.29 0.01 0.00 -1.58 0.00 0.00 42.46 36.72 2kb3 s ILE 78 CO 0.80 -0.80 0.76 0.12 -1.23 0.00 0.00 174.94 174.59 2kb3 s PHE 79 N 2.42 3.10 -0.30 3.97 5.36 -1.26 -2.05 117.98 129.23 2kb3 s PHE 79 Ca 0.12 0.48 -0.05 0.00 -0.96 0.00 0.00 56.93 56.52 2kb3 s PHE 79 Cb -0.21 -3.39 0.02 0.00 -0.34 0.00 0.00 43.02 39.10 2kb3 s PHE 79 CO 0.10 -0.75 0.05 -0.51 -1.46 0.00 0.00 175.22 172.66 2kb3 s LEU 80 N 3.06 3.84 -0.26 6.12 2.01 0.70 -4.91 118.68 129.25 2kb3 s LEU 80 Ca 0.30 -0.88 -0.29 0.00 0.01 0.00 0.00 54.13 53.27 2kb3 s LEU 80 Cb -0.13 -1.83 0.01 0.00 0.01 0.00 0.00 46.19 44.25 2kb3 s LEU 80 CO 0.17 -0.22 1.10 -0.62 1.01 0.00 0.00 176.35 177.80 2kb3 s ASP 81 N 1.43 6.99 0.38 2.29 2.15 -1.26 -3.75 116.67 124.89 2kb3 s ASP 81 Ca 0.01 1.28 0.05 0.00 0.43 0.00 0.00 52.55 54.32 2kb3 s ASP 81 Cb -0.18 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 2kb3 s ASP 81 CO 0.01 -0.79 0.17 -0.62 -0.17 0.00 0.00 175.17 173.77 2kb3 s ASP 82 N 1.58 2.39 0.34 -0.34 2.15 -1.26 -4.74 116.67 116.79 2kb3 s ASP 82 Ca 0.47 -1.69 0.14 0.00 0.43 0.00 0.00 52.55 51.90 2kb3 s ASP 82 Cb -0.15 0.51 0.61 0.00 -0.30 0.00 0.00 42.92 43.60 2kb3 s ASP 82 CO 0.12 -0.96 1.74 0.58 -0.17 0.00 0.00 175.17 176.47 2kb3 h VAL 83 N 1.92 1.23 -2.84 1.11 2.07 -2.03 -3.44 116.25 114.26 2kb3 h VAL 83 Ca -0.32 -1.60 -0.59 0.00 0.82 0.00 0.00 66.70 65.00 2kb3 h VAL 83 Cb 1.26 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 2kb3 h VAL 83 CO 0.51 0.44 -0.55 -0.89 0.02 0.00 0.00 177.57 177.10 2kb3 s THR 84 N -3.86 4.73 -0.69 2.57 2.01 -1.26 -5.05 115.64 114.08 2kb3 s THR 84 Ca -0.02 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 2kb3 s THR 84 Cb 0.13 -3.37 0.11 0.00 0.01 0.00 0.00 72.50 69.38 2kb3 s THR 84 CO 0.72 -0.01 0.86 -0.69 -0.69 0.00 0.00 174.62 174.82 2kb3 s VAL 85 N -1.62 4.71 -0.89 3.82 1.01 -1.26 -4.81 120.40 121.36 2kb3 s VAL 85 Ca 0.31 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2kb3 s VAL 85 Cb -0.11 -4.60 0.23 0.00 0.00 0.00 0.00 36.38 31.90 2kb3 s VAL 85 CO 0.24 -1.29 0.85 -0.44 0.00 0.00 0.00 175.10 174.47 2kb3 s SER 86 N 3.55 6.89 0.40 3.32 0.01 -1.22 -4.86 113.70 121.79 2kb3 s SER 86 Ca 0.19 -2.89 0.15 0.00 1.31 0.00 0.00 55.95 54.71 2kb3 s SER 86 Cb -0.18 -2.21 0.86 0.00 0.21 0.00 0.00 66.02 64.70 2kb3 s SER 86 CO 0.03 -0.52 1.88 0.08 0.41 0.00 0.00 173.24 175.12 2kb3 h ARG 87 N 7.54 0.00 -2.18 12.44 0.11 -1.93 0.40 114.38 130.76 2kb3 h ARG 87 Ca 0.13 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 59.77 2kb3 h ARG 87 Cb 1.00 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.74 2kb3 h ARG 87 CO 0.81 0.31 -0.74 0.50 0.10 0.00 0.00 179.97 180.96 2kb3 s ARG 88 N -4.21 0.57 -0.24 0.08 6.06 -1.26 -4.56 118.95 115.39 2kb3 s ARG 88 Ca -0.03 -0.94 -0.15 0.00 -2.50 0.00 0.00 55.73 52.12 2kb3 s ARG 88 Cb 0.14 -0.91 -0.10 0.00 0.06 0.00 0.00 34.95 34.15 2kb3 s ARG 88 CO 0.70 -1.18 -0.35 1.58 -2.50 0.00 0.00 175.30 173.55 2kb3 n HIS 89 N 4.29 0.00 -4.19 5.12 -0.00 -0.92 -4.73 115.22 114.80 2kb3 n HIS 89 Ca 0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.66 2kb3 n HIS 89 Cb 0.43 -0.83 -0.14 0.00 -0.00 0.00 0.00 29.99 29.45 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 -2.60 0.55 -0.09 1.57 0.00 -0.70 -3.52 121.76 116.97 2kb3 s ALA 90 Ca -0.35 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2kb3 s ALA 90 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2kb3 s ALA 90 CO 0.46 0.11 -0.20 -2.00 0.00 0.00 0.00 175.76 174.12 2kb3 s GLU 91 N -0.43 2.65 -0.28 0.00 2.12 0.53 -0.61 118.70 122.68 2kb3 s GLU 91 Ca 0.00 -0.74 -0.08 0.00 0.36 0.00 0.00 54.97 54.51 2kb3 s GLU 91 Cb -0.04 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 2kb3 s GLU 91 CO -0.00 0.11 0.11 -0.06 -0.54 0.00 0.00 175.26 174.88 2kb3 s PHE 92 N 0.49 3.14 -0.24 5.30 0.40 0.84 -0.19 117.98 127.72 2kb3 s PHE 92 Ca -0.16 -0.49 -0.05 0.00 -0.60 0.00 0.00 56.93 55.62 2kb3 s PHE 92 Cb -0.17 -2.29 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 2kb3 s PHE 92 CO 0.06 -0.40 0.01 1.03 0.70 0.00 0.00 175.22 176.62 2kb3 s ARG 93 N 1.61 3.41 -0.29 0.44 0.52 0.99 -0.20 118.95 125.44 2kb3 s ARG 93 Ca 0.05 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 54.61 2kb3 s ARG 93 Cb -0.16 -3.15 0.03 0.00 0.52 0.00 0.00 34.95 32.18 2kb3 s ARG 93 CO 0.05 -0.23 0.02 0.42 0.02 0.00 0.00 175.30 175.58 2kb3 s ILE 94 N 1.52 3.40 -0.04 1.52 1.09 -0.06 -0.44 121.20 128.19 2kb3 s ILE 94 Ca 0.05 -1.00 -0.01 0.00 -1.10 0.00 0.00 60.65 58.60 2kb3 s ILE 94 Cb -0.15 -2.81 0.03 0.00 -1.06 0.00 0.00 42.46 38.47 2kb3 s ILE 94 CO -0.00 0.04 0.03 0.21 -0.10 0.00 0.00 174.94 175.12 2kb3 s ASN 95 N 1.38 0.85 -1.44 3.58 3.84 0.12 -4.47 114.94 118.81 2kb3 s ASN 95 Ca -0.00 0.03 -0.09 0.00 0.21 0.00 0.00 52.86 53.00 2kb3 s ASN 95 Cb -0.18 -0.19 0.05 0.00 -0.55 0.00 0.00 41.25 40.39 2kb3 s ASN 95 CO -0.00 -0.19 0.70 -0.62 -2.79 0.00 0.00 177.10 174.19 2kb3 n GLU 96 N 4.83 -4.71 -0.86 0.43 1.02 -1.26 -0.66 120.64 119.43 2kb3 n GLU 96 Ca -0.13 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 2kb3 n GLU 96 Cb 0.50 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 26.42 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kb3 n GLY 97 N -1.47 0.80 3.73 0.62 0.00 -1.26 -5.02 105.19 102.59 2kb3 n GLY 97 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.14 4.05 -0.28 1.61 0.41 0.17 -5.06 118.70 119.45 2kb3 s GLU 98 Ca 0.00 -0.24 -0.07 0.00 -0.41 0.00 0.00 54.97 54.25 2kb3 s GLU 98 Cb 0.00 -3.34 -0.00 0.00 -1.78 0.00 0.00 34.13 29.01 2kb3 s GLU 98 CO 0.00 0.35 0.07 -0.06 -0.49 0.00 0.00 175.26 175.13 2kb3 s PHE 99 N 0.19 3.12 -0.11 1.61 0.40 -1.26 -0.70 117.98 121.22 2kb3 s PHE 99 Ca 0.08 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 55.58 2kb3 s PHE 99 Cb -0.11 -2.24 0.01 0.00 0.51 0.00 0.00 43.02 41.19 2kb3 s PHE 99 CO -0.01 -0.53 -0.18 -1.21 0.70 0.00 0.00 175.22 174.00 2kb3 s GLU 100 N 1.52 2.47 -0.24 0.44 2.02 0.42 -1.43 118.70 123.90 2kb3 s GLU 100 Ca 0.04 -0.66 -0.09 0.00 0.02 0.00 0.00 54.97 54.28 2kb3 s GLU 100 Cb -0.16 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 2kb3 s GLU 100 CO 0.02 -0.02 0.11 0.08 0.02 0.00 0.00 175.26 175.47 2kb3 s VAL 101 N 0.85 4.78 -0.04 2.63 1.01 0.10 -0.01 120.40 129.72 2kb3 s VAL 101 Ca -0.09 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2kb3 s VAL 101 Cb -0.15 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2kb3 s VAL 101 CO -0.00 0.35 -0.25 0.68 0.00 0.00 0.00 175.10 175.88 2kb3 s VAL 102 N 1.27 2.14 -0.09 2.92 -7.23 0.73 -1.21 120.40 118.93 2kb3 s VAL 102 Ca 0.06 -1.06 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 2kb3 s VAL 102 Cb -0.14 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 2kb3 s VAL 102 CO 0.05 0.58 0.30 -0.62 -0.31 0.00 0.00 175.10 175.09 2kb3 s ASP 103 N -0.43 6.56 -0.11 4.85 -1.08 0.83 -0.35 116.67 126.94 2kb3 s ASP 103 Ca 0.05 0.66 0.10 0.00 -0.52 0.00 0.00 52.55 52.84 2kb3 s ASP 103 Cb -0.12 -2.18 0.48 0.00 -1.46 0.00 0.00 42.92 39.65 2kb3 s ASP 103 CO 0.01 0.26 1.30 1.33 0.52 0.00 0.00 175.17 178.59 2kb3 n VAL 104 N 2.53 1.41 -1.36 1.11 0.24 -1.23 -4.79 118.33 116.24 2kb3 n VAL 104 Ca -0.15 -0.80 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 2kb3 n VAL 104 Cb 0.53 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 0.64 0.60 3.90 7.63 0.00 -1.26 -5.06 105.19 111.64 2kb3 n GLY 105 Ca 0.17 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2kb3 n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 106 N -2.37 3.31 -0.15 1.61 0.01 -1.26 -5.03 113.70 109.82 2kb3 s SER 106 Ca 0.00 0.42 0.17 0.00 1.31 0.00 0.00 55.95 57.85 2kb3 s SER 106 Cb 0.00 -0.59 -0.24 0.00 0.21 0.00 0.00 66.02 65.40 2kb3 s SER 106 CO 0.00 -2.62 0.13 0.18 0.41 0.00 0.00 173.24 171.34 2kb3 n LEU 107 N -3.72 0.00 0.14 2.44 7.99 -1.26 -4.48 117.00 118.10 2kb3 n LEU 107 Ca 0.13 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.24 2kb3 n LEU 107 Cb 0.60 0.37 0.05 0.00 -0.11 0.00 0.00 43.42 44.33 2kb3 n LEU 107 CO 0.49 0.37 0.26 0.78 -1.51 0.00 0.00 177.39 177.78 2kb3 h ASN 108 N 0.00 0.00 -0.03 -1.43 4.21 -1.93 -3.32 115.58 113.07 2kb3 h ASN 108 Ca -0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.10 2kb3 h ASN 108 Cb 1.92 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.12 2kb3 h ASN 108 CO 0.02 0.05 0.00 0.61 -1.29 0.00 0.00 177.43 176.82 2kb3 n GLY 109 N 1.17 0.20 3.71 2.83 0.00 -1.26 -4.02 105.19 107.82 2kb3 n GLY 109 Ca 0.01 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 5.06 -0.09 2.61 2.01 -1.26 -1.54 115.64 122.43 2kb3 s THR 110 Ca 0.00 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.38 2kb3 s THR 110 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.52 2kb3 s THR 110 CO 0.00 0.24 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.74 2kb3 s TYR 111 N 0.93 1.60 -0.13 4.92 2.02 0.13 -3.46 117.35 123.37 2kb3 s TYR 111 Ca 0.35 -0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2kb3 s TYR 111 Cb -0.17 -1.20 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 2kb3 s TYR 111 CO 0.16 -0.38 -0.09 0.08 -1.57 0.00 0.00 175.55 173.75 2kb3 s VAL 112 N 0.97 3.46 -1.45 0.71 1.01 0.85 0.06 120.40 126.01 2kb3 s VAL 112 Ca -0.08 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 2kb3 s VAL 112 Cb -0.15 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.79 2kb3 s VAL 112 CO -0.00 0.53 0.93 0.59 0.00 0.00 0.00 175.10 177.15 2kb3 n ASN 113 N 3.29 -5.82 -0.62 3.32 5.03 0.58 -1.64 115.26 119.40 2kb3 n ASN 113 Ca -0.18 -0.51 -0.08 0.00 0.87 0.00 0.00 54.58 54.69 2kb3 n ASN 113 Cb 0.53 -4.63 -0.03 0.00 -1.02 0.00 0.00 39.78 34.62 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kb3 n ARG 114 N -4.58 -1.52 -4.76 3.52 3.00 -1.26 -4.86 116.66 106.19 2kb3 n ARG 114 Ca -0.02 0.75 -0.30 0.00 -0.01 0.00 0.00 57.85 58.26 2kb3 n ARG 114 Cb 0.57 -5.03 -0.14 0.00 0.00 0.00 0.00 32.46 27.86 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kb3 s GLU 115 N -2.53 1.85 0.10 5.56 2.02 -0.65 -4.81 118.70 120.24 2kb3 s GLU 115 Ca 0.00 -1.09 -0.31 0.00 0.02 0.00 0.00 54.97 53.59 2kb3 s GLU 115 Cb 0.00 -2.04 -0.10 0.00 0.10 0.00 0.00 34.13 32.09 2kb3 s GLU 115 CO 0.00 0.52 1.89 -2.14 0.02 0.00 0.00 175.26 175.54 2kb3 s PRO 116 N -1.40 4.13 0.01 0.39 0.02 -1.26 -0.10 135.00 136.79 2kb3 s PRO 116 Ca 0.13 2.62 0.00 0.00 0.02 0.00 0.00 61.00 63.77 2kb3 s PRO 116 Cb -0.10 -3.78 -0.01 0.00 0.02 0.00 0.00 34.50 30.63 2kb3 s PRO 116 CO 0.04 -0.89 -0.02 0.50 -0.33 0.00 0.00 177.00 176.30 2kb3 s ARG 117 N 3.30 0.22 -0.22 5.54 6.06 -1.22 -4.86 118.95 127.76 2kb3 s ARG 117 Ca 0.84 -0.38 -0.04 0.00 -2.50 0.00 0.00 55.73 53.65 2kb3 s ARG 117 Cb -0.45 0.01 -0.12 0.00 0.06 0.00 0.00 34.95 34.44 2kb3 s ARG 117 CO 0.38 -0.02 -0.24 0.09 -2.50 0.00 0.00 175.30 173.02 2kb3 n ASN 118 N 2.20 2.04 -3.78 -2.12 4.13 -1.26 -4.74 115.26 111.73 2kb3 n ASN 118 Ca -0.19 0.05 -0.13 0.00 1.68 0.00 0.00 54.58 55.99 2kb3 n ASN 118 Cb 0.57 -0.48 -0.13 0.00 -1.54 0.00 0.00 39.78 38.20 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 -2.43 -0.47 -0.15 5.41 0.00 -1.26 -0.12 121.76 122.75 2kb3 s ALA 119 Ca -0.31 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.23 2kb3 s ALA 119 Cb 0.10 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.85 2kb3 s ALA 119 CO 0.46 -0.13 0.37 -1.14 0.00 0.00 0.00 175.76 175.33 2kb3 s GLN 120 N 0.54 0.38 -0.35 0.00 2.00 -0.35 -5.00 119.66 116.89 2kb3 s GLN 120 Ca -0.04 0.63 -0.29 0.00 -2.00 0.00 0.00 55.36 53.66 2kb3 s GLN 120 Cb -0.05 0.07 0.02 0.00 0.80 0.00 0.00 33.01 33.84 2kb3 s GLN 120 CO -0.03 -0.11 1.15 0.08 -0.50 0.00 0.00 175.29 175.88 2kb3 s VAL 121 N 0.83 4.35 0.02 1.34 1.01 -1.26 -0.73 120.40 125.95 2kb3 s VAL 121 Ca -0.05 1.51 -0.07 0.00 0.00 0.00 0.00 61.98 63.37 2kb3 s VAL 121 Cb -0.06 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2kb3 s VAL 121 CO -0.06 -0.59 0.28 -0.04 0.00 0.00 0.00 175.10 174.69 2kb3 s MET 122 N 3.96 3.60 0.25 2.72 1.00 -0.52 -4.99 119.30 125.33 2kb3 s MET 122 Ca 0.49 -0.04 0.12 0.00 0.00 0.00 0.00 55.69 56.25 2kb3 s MET 122 Cb -0.12 -3.07 -0.05 0.00 0.00 0.00 0.00 34.83 31.59 2kb3 s MET 122 CO 0.21 0.64 -0.21 1.14 0.00 0.00 0.00 175.02 176.80 2kb3 s GLN 123 N -1.77 1.64 0.14 2.03 1.03 -1.26 -4.69 119.66 116.79 2kb3 s GLN 123 Ca 0.28 -1.67 -0.32 0.00 0.04 0.00 0.00 55.36 53.69 2kb3 s GLN 123 Cb -0.13 -1.81 -0.12 0.00 0.03 0.00 0.00 33.01 30.98 2kb3 s GLN 123 CO 0.16 0.36 1.77 0.25 -2.54 0.00 0.00 175.29 175.29 2kb3 n THR 124 N -0.30 0.23 0.00 3.63 -2.24 -1.26 -1.71 114.28 112.63 2kb3 n THR 124 Ca -0.08 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2kb3 n THR 124 Cb 0.58 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 2kb3 n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kb3 n GLY 125 N 4.06 0.31 3.77 3.38 0.00 0.10 -4.46 105.19 112.36 2kb3 n GLY 125 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2kb3 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb3 s ASP 126 N -2.34 7.10 0.03 1.61 1.01 -0.69 -4.84 116.67 118.55 2kb3 s ASP 126 Ca 0.00 2.02 0.05 0.00 0.71 0.00 0.00 52.55 55.33 2kb3 s ASP 126 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2kb3 s ASP 126 CO 0.00 -0.25 -0.10 -1.83 0.21 0.00 0.00 175.17 173.20 2kb3 s GLU 127 N -2.07 2.36 -0.14 8.23 1.03 -1.26 -1.02 118.70 125.83 2kb3 s GLU 127 Ca 0.52 -0.84 0.01 0.00 0.03 0.00 0.00 54.97 54.69 2kb3 s GLU 127 Cb -0.23 -2.39 -0.00 0.00 -0.80 0.00 0.00 34.13 30.71 2kb3 s GLU 127 CO 0.29 0.57 -0.17 0.42 -1.33 0.00 0.00 175.26 175.05 2kb3 s ILE 128 N -1.02 2.61 -0.33 1.83 1.01 1.00 -0.31 121.20 125.98 2kb3 s ILE 128 Ca 0.17 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 2kb3 s ILE 128 Cb -0.11 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.29 2kb3 s ILE 128 CO 0.08 0.53 0.17 -1.58 0.00 0.00 0.00 174.94 174.13 2kb3 s GLN 129 N 0.66 3.11 -0.41 2.79 2.00 0.11 -0.37 119.66 127.56 2kb3 s GLN 129 Ca -0.08 -0.87 -0.07 0.00 -2.00 0.00 0.00 55.36 52.34 2kb3 s GLN 129 Cb -0.16 -3.61 0.09 0.00 0.80 0.00 0.00 33.01 30.13 2kb3 s GLN 129 CO 0.02 -0.53 0.22 0.42 -0.50 0.00 0.00 175.29 174.93 2kb3 s ILE 130 N 1.58 3.84 0.00 -2.34 1.01 0.79 -0.69 121.20 125.39 2kb3 s ILE 130 Ca 0.03 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.09 2kb3 s ILE 130 Cb -0.18 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2kb3 s ILE 130 CO 0.06 -0.53 0.00 0.61 0.00 0.00 0.00 174.94 175.08 2kb3 n GLY 131 N 4.80 0.94 0.03 6.18 0.00 -0.59 -1.83 105.19 114.72 2kb3 n GLY 131 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.14 -4.37 1.61 2.85 -1.26 -4.96 118.16 112.17 2kb3 n LYS 132 Ca 0.00 -0.81 -0.19 0.00 -1.05 0.00 0.00 58.31 56.27 2kb3 n LYS 132 Cb 0.00 -1.01 -0.10 0.00 -0.65 0.00 0.00 35.03 33.26 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 -0.31 1.71 -0.02 5.58 -0.12 -0.76 -5.03 117.98 119.03 2kb3 s PHE 133 Ca 0.01 -1.04 0.04 0.00 -0.05 0.00 0.00 56.93 55.90 2kb3 s PHE 133 Cb 0.01 -1.05 -0.01 0.00 -0.63 0.00 0.00 43.02 41.34 2kb3 s PHE 133 CO 0.01 -0.13 -0.14 0.50 -0.05 0.00 0.00 175.22 175.41 2kb3 s ARG 134 N -3.94 1.19 -0.02 1.99 3.52 -1.19 -0.14 118.95 120.35 2kb3 s ARG 134 Ca 0.35 -0.49 0.07 0.00 -0.13 0.00 0.00 55.73 55.53 2kb3 s ARG 134 Cb 0.08 -1.13 -0.02 0.00 -1.56 0.00 0.00 34.95 32.32 2kb3 s ARG 134 CO 0.13 0.27 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.15 2kb3 s LEU 135 N -0.22 2.04 -0.03 -0.88 1.02 0.50 -0.96 118.68 120.15 2kb3 s LEU 135 Ca 0.03 -0.43 0.06 0.00 0.02 0.00 0.00 54.13 53.81 2kb3 s LEU 135 Cb -0.06 -1.22 -0.02 0.00 0.02 0.00 0.00 46.19 44.91 2kb3 s LEU 135 CO -0.00 0.29 -0.19 -0.69 0.02 0.00 0.00 176.35 175.77 2kb3 s VAL 136 N -0.53 2.64 -0.34 -1.59 1.01 0.78 -0.00 120.40 122.36 2kb3 s VAL 136 Ca 0.09 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 2kb3 s VAL 136 Cb -0.09 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2kb3 s VAL 136 CO -0.01 0.58 0.54 0.12 0.00 0.00 0.00 175.10 176.33 2kb3 s PHE 137 N -0.69 3.18 0.28 5.22 5.36 -0.19 -0.38 117.98 130.76 2kb3 s PHE 137 Ca 0.11 0.27 0.12 0.00 -0.96 0.00 0.00 56.93 56.47 2kb3 s PHE 137 Cb -0.10 -2.95 -0.05 0.00 -0.34 0.00 0.00 43.02 39.58 2kb3 s PHE 137 CO 0.00 -0.53 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.55 2kb3 s LEU 138 N 2.45 2.67 0.08 6.12 1.02 0.41 0.02 118.68 131.45 2kb3 s LEU 138 Ca 0.20 -0.98 -0.30 0.00 0.02 0.00 0.00 54.13 53.07 2kb3 s LEU 138 Cb -0.15 -1.18 -0.06 0.00 0.02 0.00 0.00 46.19 44.82 2kb3 s LEU 138 CO 0.13 0.04 1.13 0.00 0.02 0.00 0.00 176.35 177.66 2kb3 s ALA 139 N -2.48 3.34 0.02 4.21 0.00 -1.26 -0.82 121.76 124.77 2kb3 s ALA 139 Ca 0.30 0.77 0.08 0.00 0.00 0.00 0.00 51.96 53.12 2kb3 s ALA 139 Cb -0.05 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2kb3 s ALA 139 CO 0.16 -0.33 -0.25 0.20 0.00 0.00 0.00 175.76 175.53 2kb3 s GLY 140 N 0.75 1.29 0.81 0.00 0.00 -0.86 -4.74 107.32 104.57 2kb3 s GLY 140 Ca 0.55 -1.17 -0.13 0.00 0.00 0.00 0.00 44.72 43.97 2kb3 s GLY 140 CO 0.30 -1.04 1.14 -1.05 0.00 0.00 0.00 173.10 172.46 2kb3 n PRO 141 N 2.02 0.16 -1.61 2.90 -0.02 -1.26 -3.52 135.00 133.66 2kb3 n PRO 141 Ca -0.17 0.13 -0.40 0.00 -2.02 0.00 0.00 63.50 61.05 2kb3 n PRO 141 Cb 0.52 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2kb3 n PRO 141 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb3 n ALA 142 N -3.28 7.08 0.48 3.55 0.00 -1.26 -4.74 120.51 122.34 2kb3 n ALA 142 Ca 0.13 -3.78 0.04 0.00 0.00 0.00 0.00 53.44 49.83 2kb3 n ALA 142 Cb 0.50 -3.17 0.23 0.00 0.00 0.00 0.00 19.45 17.01 2kb3 n ALA 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59