#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 4.44 -1.29 3.17 0.01 -1.26 -4.96 113.70 113.82 2kb3 s SER 2 Ca 0.00 -2.61 -0.09 0.00 1.31 0.00 0.00 55.95 54.56 2kb3 s SER 2 Cb 0.00 -1.58 0.16 0.00 0.21 0.00 0.00 66.02 64.81 2kb3 s SER 2 CO 0.00 -0.30 1.95 -0.67 0.41 0.00 0.00 173.24 174.63 2kb3 n ASP 3 N 3.64 5.46 -4.25 2.44 2.03 -1.26 -4.24 116.55 120.37 2kb3 n ASP 3 Ca 0.05 -3.11 -0.17 0.00 0.52 0.00 0.00 54.79 52.07 2kb3 n ASP 3 Cb 0.36 -1.46 -0.11 0.00 -0.72 0.00 0.00 41.12 39.19 2kb3 n ASP 3 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kb3 s ASN 4 N 0.79 2.00 -1.20 1.67 -0.87 -1.26 -5.05 114.94 111.01 2kb3 s ASN 4 Ca 0.41 -0.86 -0.18 0.00 -1.57 0.00 0.00 52.86 50.66 2kb3 s ASN 4 Cb 0.11 -0.06 0.09 0.00 -0.02 0.00 0.00 41.25 41.37 2kb3 s ASN 4 CO -0.01 -0.18 1.58 0.21 -2.57 0.00 0.00 177.10 176.13 2kb3 s ASN 5 N -2.65 6.81 0.00 -1.22 2.47 -1.26 -3.77 114.94 115.32 2kb3 s ASN 5 Ca 0.11 -2.36 0.00 0.00 0.42 0.00 0.00 52.86 51.04 2kb3 s ASN 5 Cb -0.03 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 2kb3 s ASN 5 CO 0.03 -1.13 0.00 0.61 -3.72 0.00 0.00 177.10 172.89 2kb3 n GLY 6 N 5.40 -1.86 3.15 1.21 0.00 -1.26 -5.02 105.19 106.81 2kb3 n GLY 6 Ca 0.42 0.48 -0.35 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.84 3.04 0.06 2.61 2.01 -1.25 -5.08 115.64 116.19 2kb3 s THR 7 Ca 0.00 -1.65 -0.30 0.00 0.31 0.00 0.00 61.69 60.05 2kb3 s THR 7 Cb 0.00 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 2kb3 s THR 7 CO 0.00 -0.32 0.98 -2.16 -0.69 0.00 0.00 174.62 172.43 2kb3 s PRO 8 N 1.20 4.62 0.08 4.92 0.04 -1.26 -4.31 135.00 140.29 2kb3 s PRO 8 Ca 0.00 1.45 0.08 0.00 0.04 0.00 0.00 61.00 62.57 2kb3 s PRO 8 Cb -0.21 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 2kb3 s PRO 8 CO -0.02 0.07 -0.19 -1.21 0.04 0.00 0.00 177.00 175.69 2kb3 s GLU 9 N 0.49 1.91 0.22 4.56 2.02 -1.26 -5.08 118.70 121.56 2kb3 s GLU 9 Ca 0.50 -1.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 2kb3 s GLU 9 Cb -0.23 -2.14 -0.15 0.00 0.10 0.00 0.00 34.13 31.72 2kb3 s GLU 9 CO 0.29 0.51 1.05 -2.30 0.02 0.00 0.00 175.26 174.83 2kb3 n PRO 10 N 1.19 1.16 -3.24 0.39 -0.02 -1.26 -4.87 135.00 128.34 2kb3 n PRO 10 Ca -0.16 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.34 2kb3 n PRO 10 Cb 0.52 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 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 -0.92 4.32 -0.23 -0.52 1.11 -1.26 -5.01 119.66 117.15 2kb3 s GLN 11 Ca 0.66 0.63 -0.06 0.00 0.01 0.00 0.00 55.36 56.60 2kb3 s GLN 11 Cb -0.79 -3.38 -0.02 0.00 -1.01 0.00 0.00 33.01 27.80 2kb3 s GLN 11 CO 0.56 0.27 0.02 0.08 0.01 0.00 0.00 175.29 176.23 2kb3 s VAL 12 N 0.19 3.98 -0.05 1.09 1.01 -1.26 -5.05 120.40 120.30 2kb3 s VAL 12 Ca 0.30 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2kb3 s VAL 12 Cb -0.17 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2kb3 s VAL 12 CO 0.15 0.38 -0.15 -1.61 0.00 0.00 0.00 175.10 173.87 2kb3 s GLU 13 N 1.44 1.78 0.95 2.72 0.41 -1.26 -5.24 118.70 119.50 2kb3 s GLU 13 Ca 0.05 -0.53 -0.15 0.00 -0.41 0.00 0.00 54.97 53.93 2kb3 s GLU 13 Cb -0.15 -1.50 0.20 0.00 -1.78 0.00 0.00 34.13 30.91 2kb3 s GLU 13 CO 0.01 0.15 1.30 0.99 -0.49 0.00 0.00 175.26 177.22 2kb3 s THR 14 N 0.31 2.01 0.00 3.63 2.01 -1.26 -5.08 115.64 117.26 2kb3 s THR 14 Ca -0.09 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.57 2kb3 s THR 14 Cb -0.13 -2.95 0.07 0.00 0.01 0.00 0.00 72.50 69.49 2kb3 s THR 14 CO 0.03 0.00 0.63 -0.44 -0.69 0.00 0.00 174.62 174.15 2kb3 s SER 16 N -4.91 -0.60 -0.34 3.53 0.01 -1.25 -5.16 113.70 104.99 2kb3 s SER 16 Ca 0.74 0.50 -0.26 0.00 1.31 0.00 0.00 55.95 58.24 2kb3 s SER 16 Cb -0.03 0.54 0.01 0.00 0.21 0.00 0.00 66.02 66.75 2kb3 s SER 16 CO 0.53 -0.68 0.95 -0.69 0.41 0.00 0.00 173.24 173.75 2kb3 s VAL 17 N -1.81 4.60 -0.47 3.43 1.01 -1.11 -4.62 120.40 121.43 2kb3 s VAL 17 Ca -0.08 1.40 -0.16 0.00 0.00 0.00 0.00 61.98 63.14 2kb3 s VAL 17 Cb -0.00 -4.32 0.07 0.00 0.00 0.00 0.00 36.38 32.12 2kb3 s VAL 17 CO 0.04 -0.45 0.41 0.72 0.00 0.00 0.00 175.10 175.82 2kb3 s PHE 18 N 3.43 3.23 -0.10 5.22 -0.71 -1.26 -5.01 117.98 122.77 2kb3 s PHE 18 Ca 0.40 -0.89 0.01 0.00 -1.04 0.00 0.00 56.93 55.41 2kb3 s PHE 18 Cb -0.12 -3.18 0.02 0.00 -1.21 0.00 0.00 43.02 38.52 2kb3 s PHE 18 CO 0.16 -0.81 -0.13 -0.98 -1.34 0.00 0.00 175.22 172.12 2kb3 s ARG 19 N 1.72 1.95 0.00 1.99 1.04 -1.26 -4.79 118.95 119.60 2kb3 s ARG 19 Ca 0.05 -0.46 0.00 0.00 -1.04 0.00 0.00 55.73 54.28 2kb3 s ARG 19 Cb -0.24 -1.72 0.00 0.00 -2.04 0.00 0.00 34.95 30.95 2kb3 s ARG 19 CO 0.07 -0.10 0.00 0.00 -0.04 0.00 0.00 175.30 175.23 2kb3 n ALA 20 N 4.31 0.00 0.24 7.88 0.00 -1.26 -4.95 120.51 126.74 2kb3 n ALA 20 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.34 2kb3 n ALA 20 Cb 0.51 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.43 2kb3 n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kb3 h ASP 21 N 0.00 0.00 -0.84 0.00 5.19 -1.91 -2.21 116.42 116.65 2kb3 h ASP 21 Ca 0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2kb3 h ASP 21 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 2kb3 h ASP 21 CO 0.00 0.00 0.54 -0.07 -3.12 0.00 0.00 179.24 176.59 2kb3 h LEU 22 N 0.00 0.91 0.04 1.55 4.07 -1.93 0.39 115.31 120.35 2kb3 h LEU 22 Ca 0.00 -0.01 -0.27 0.00 0.08 0.00 0.00 57.88 57.68 2kb3 h LEU 22 Cb 0.79 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.33 2kb3 h LEU 22 CO 0.00 0.64 -1.17 0.25 -1.08 0.00 0.00 178.44 177.08 2kb3 h LEU 23 N 1.07 0.56 -0.59 1.67 5.85 -1.82 -0.23 115.31 121.82 2kb3 h LEU 23 Ca 0.32 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2kb3 h LEU 23 Cb -0.04 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2kb3 h LEU 23 CO -0.10 1.38 0.39 0.50 -0.34 0.00 0.00 178.44 180.27 2kb3 h LYS 24 N 0.15 0.78 -0.16 1.25 1.63 -1.48 0.58 116.57 119.32 2kb3 h LYS 24 Ca -0.14 -0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.47 2kb3 h LYS 24 Cb 1.86 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.32 2kb3 h LYS 24 CO 0.20 0.53 -0.45 1.49 -3.45 0.00 0.00 179.45 177.77 2kb3 h GLU 25 N 0.80 0.59 -0.78 1.90 4.22 -0.27 -3.20 114.58 117.84 2kb3 h GLU 25 Ca 0.22 -0.42 0.07 0.00 0.08 0.00 0.00 59.36 59.31 2kb3 h GLU 25 Cb -0.08 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2kb3 h GLU 25 CO -0.05 1.03 0.51 1.98 -2.18 0.00 0.00 179.01 180.31 2kb3 h MET 26 N 0.24 0.77 0.00 1.92 4.05 -0.51 0.37 114.93 121.77 2kb3 h MET 26 Ca -0.01 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 2kb3 h MET 26 Cb 1.06 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.68 2kb3 h MET 26 CO 0.10 0.51 -0.13 1.49 0.23 0.00 0.00 176.91 179.11 2kb3 h GLU 27 N 0.80 0.00 0.01 0.39 4.57 -0.90 -1.99 114.58 117.47 2kb3 h GLU 27 Ca 0.34 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 58.14 2kb3 h GLU 27 Cb 0.30 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.83 2kb3 h GLU 27 CO -0.12 0.13 -2.36 0.45 -1.18 0.00 0.00 179.01 175.93 2kb3 n SER 28 N -3.86 1.37 0.19 1.04 2.88 0.37 -4.41 113.62 111.20 2kb3 n SER 28 Ca -0.02 -0.03 0.07 0.00 -1.33 0.00 0.00 58.87 57.56 2kb3 n SER 28 Cb 0.22 -0.04 0.28 0.00 -0.75 0.00 0.00 64.21 63.92 2kb3 n SER 28 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2kb3 h SER 29 N 0.01 0.00 -2.54 -3.46 4.64 -0.32 -3.43 113.55 108.44 2kb3 h SER 29 Ca -0.54 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.22 2kb3 h SER 29 Cb 2.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.10 2kb3 h SER 29 CO -0.03 0.30 1.22 -0.89 -0.87 0.00 0.00 176.83 176.57 2kb3 s THR 30 N -3.36 3.44 0.00 2.95 2.01 -0.76 -3.71 115.64 116.21 2kb3 s THR 30 Ca 0.02 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.52 2kb3 s THR 30 Cb 0.09 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2kb3 s THR 30 CO 0.68 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 2kb3 n GLY 31 N 4.86 -0.02 3.42 4.40 0.00 -1.26 -5.01 105.19 111.57 2kb3 n GLY 31 Ca 0.21 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 2kb3 n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb3 s THR 32 N 0.00 2.81 0.14 2.61 -4.23 -1.24 -5.13 115.64 110.61 2kb3 s THR 32 Ca 0.00 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 2kb3 s THR 32 Cb 0.00 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 2kb3 s THR 32 CO 0.00 0.58 0.21 0.00 -0.54 0.00 0.00 174.62 174.87 2kb3 s ALA 33 N -0.53 3.81 0.66 3.99 0.00 -1.26 -5.00 121.76 123.44 2kb3 s ALA 33 Ca 0.07 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 2kb3 s ALA 33 Cb -0.11 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 2kb3 s ALA 33 CO 0.01 0.56 1.15 -2.30 0.00 0.00 0.00 175.76 175.19 2kb3 n PRO 34 N -0.35 0.88 -3.51 0.00 -0.02 -1.26 -4.99 135.00 125.75 2kb3 n PRO 34 Ca -0.07 0.36 -0.36 0.00 -2.02 0.00 0.00 63.50 61.41 2kb3 n PRO 34 Cb 0.54 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.55 3.69 -0.83 3.55 0.00 -1.26 -5.01 121.76 120.35 2kb3 s ALA 35 Ca 0.79 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 2kb3 s ALA 35 Cb -0.37 -2.35 0.07 0.00 0.00 0.00 0.00 23.12 20.47 2kb3 s ALA 35 CO 0.44 0.52 1.17 -1.54 0.00 0.00 0.00 175.76 176.36 2kb3 s SER 36 N -1.58 6.36 0.81 0.00 1.04 -1.26 -4.88 113.70 114.19 2kb3 s SER 36 Ca 0.32 -1.27 -0.03 0.00 0.48 0.00 0.00 55.95 55.45 2kb3 s SER 36 Cb -0.15 -2.47 0.06 0.00 0.10 0.00 0.00 66.02 63.56 2kb3 s SER 36 CO 0.17 -1.43 0.38 0.35 0.98 0.00 0.00 173.24 173.69 2kb3 n THR 37 N 6.11 0.00 1.98 2.02 -2.24 -1.26 -4.93 114.28 115.97 2kb3 n THR 37 Ca 0.13 -0.38 0.10 0.00 -2.27 0.00 0.00 64.05 61.62 2kb3 n THR 37 Cb 0.48 -1.61 0.57 0.00 -2.10 0.00 0.00 70.33 67.67 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kb3 n GLY 38 N 2.38 -0.99 0.26 3.38 0.00 -1.26 -2.95 105.19 106.01 2kb3 n GLY 38 Ca 0.05 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 3.58 1.00 0.00 4.61 0.00 -1.92 -2.65 119.26 123.89 2kb3 h ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kb3 h ALA 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kb3 h ALA 39 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.40 2kb3 n GLU 40 N -2.96 0.26 0.01 0.00 0.28 -1.15 -1.28 120.64 115.80 2kb3 n GLU 40 Ca 0.00 0.11 0.11 0.00 -0.16 0.00 0.00 57.16 57.22 2kb3 n GLU 40 Cb 0.26 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.59 2kb3 n GLU 40 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kb3 n ASN 41 N -1.29 0.68 -2.91 -1.84 2.85 -1.00 -5.01 115.26 106.75 2kb3 n ASN 41 Ca 0.09 -0.52 -0.03 0.00 -0.11 0.00 0.00 54.58 54.00 2kb3 n ASN 41 Cb 0.15 0.98 0.00 0.00 1.24 0.00 0.00 39.78 42.15 2kb3 n ASN 41 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kb3 n LEU 42 N -1.75 -7.05 0.23 1.20 4.77 -0.40 -5.00 117.00 109.00 2kb3 n LEU 42 Ca 0.02 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2kb3 n LEU 42 Cb 0.40 -3.25 -0.07 0.00 -2.33 0.00 0.00 43.42 38.17 2kb3 n LEU 42 CO 0.42 -1.56 0.39 1.55 -1.33 0.00 0.00 177.39 176.85 2kb3 h PRO 43 N 1.04 -0.61 0.00 3.23 0.13 -1.78 -3.36 132.00 130.66 2kb3 h PRO 43 Ca 0.00 0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2kb3 h PRO 43 Cb 0.98 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kb3 h PRO 43 CO 0.25 -0.32 -1.30 0.00 -0.23 0.00 0.00 178.00 176.40 2kb3 n ALA 44 N -2.64 2.58 -0.28 -0.56 0.00 -1.26 -4.94 120.51 113.41 2kb3 n ALA 44 Ca -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2kb3 n ALA 44 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.21 1.11 3.63 0.00 0.00 -1.26 -5.02 105.19 104.87 2kb3 n GLY 45 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.01 4.24 0.05 1.61 0.01 -1.26 -4.63 113.70 110.71 2kb3 s SER 46 Ca 0.00 -0.92 -0.00 0.00 1.31 0.00 0.00 55.95 56.34 2kb3 s SER 46 Cb 0.00 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 2kb3 s SER 46 CO 0.00 -0.18 -0.04 0.00 0.41 0.00 0.00 173.24 173.43 2kb3 s ALA 47 N -2.48 0.54 -0.02 1.44 0.00 -0.78 -1.30 121.76 119.16 2kb3 s ALA 47 Ca 0.34 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2kb3 s ALA 47 Cb -0.02 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 2kb3 s ALA 47 CO 0.19 -0.31 -0.11 -0.48 0.00 0.00 0.00 175.76 175.06 2kb3 s LEU 48 N -2.70 1.88 -0.06 0.00 0.05 0.89 0.22 118.68 118.97 2kb3 s LEU 48 Ca 0.04 -0.21 0.05 0.00 0.05 0.00 0.00 54.13 54.05 2kb3 s LEU 48 Cb 0.05 -0.62 -0.02 0.00 -2.05 0.00 0.00 46.19 43.55 2kb3 s LEU 48 CO -0.08 0.10 -0.20 -1.48 -0.55 0.00 0.00 176.35 174.15 2kb3 s LEU 49 N 0.01 2.40 -0.10 1.48 0.05 0.40 -0.66 118.68 122.27 2kb3 s LEU 49 Ca -0.01 -0.37 0.03 0.00 0.05 0.00 0.00 54.13 53.84 2kb3 s LEU 49 Cb -0.07 -1.47 -0.01 0.00 -2.05 0.00 0.00 46.19 42.59 2kb3 s LEU 49 CO 0.00 0.28 -0.20 0.54 -0.55 0.00 0.00 176.35 176.42 2kb3 s VAL 50 N -0.35 2.44 -0.15 1.48 0.11 0.20 -0.44 120.40 123.68 2kb3 s VAL 50 Ca 0.03 -0.89 -0.29 0.00 -2.93 0.00 0.00 61.98 57.89 2kb3 s VAL 50 Cb -0.12 -1.96 -0.01 0.00 -1.53 0.00 0.00 36.38 32.76 2kb3 s VAL 50 CO 0.02 0.55 1.05 -0.69 -3.33 0.00 0.00 175.10 172.70 2kb3 s VAL 51 N 0.25 4.68 -0.19 2.04 1.01 -0.58 -0.13 120.40 127.47 2kb3 s VAL 51 Ca -0.14 1.98 0.17 0.00 0.00 0.00 0.00 61.98 63.99 2kb3 s VAL 51 Cb -0.17 -4.27 -0.25 0.00 0.00 0.00 0.00 36.38 31.70 2kb3 s VAL 51 CO 0.07 -0.07 0.11 1.17 0.00 0.00 0.00 175.10 176.38 2kb3 n LYS 52 N 5.59 0.68 -3.96 2.72 4.81 0.12 -0.14 118.16 127.99 2kb3 n LYS 52 Ca 0.10 0.02 -0.19 0.00 -0.87 0.00 0.00 58.31 57.37 2kb3 n LYS 52 Cb 0.47 -1.54 -0.17 0.00 0.02 0.00 0.00 35.03 33.82 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kb3 s ARG 53 N -2.50 0.49 0.00 1.64 3.52 -0.58 -4.77 118.95 116.75 2kb3 s ARG 53 Ca -0.10 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 2kb3 s ARG 53 Cb 0.06 -0.66 0.00 0.00 -1.56 0.00 0.00 34.95 32.79 2kb3 s ARG 53 CO 0.82 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.57 2kb3 n GLY 54 N 4.33 1.92 0.25 8.12 0.00 -1.26 -1.71 105.19 116.83 2kb3 n GLY 54 Ca -0.22 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 0.20 -0.48 1.61 0.11 -1.99 -2.02 132.00 129.43 2kb3 h PRO 55 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2kb3 h PRO 55 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2kb3 h PRO 55 CO 0.00 0.27 0.00 0.09 -0.21 0.00 0.00 178.00 178.15 2kb3 n ASN 56 N -4.37 2.24 -4.73 -2.05 4.13 -1.26 -4.90 115.26 104.31 2kb3 n ASN 56 Ca -0.01 -2.12 -0.42 0.00 1.68 0.00 0.00 54.58 53.71 2kb3 n ASN 56 Cb 0.19 -0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 38.07 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 57 N -1.62 3.75 0.00 5.41 0.00 -0.76 -1.77 121.76 126.77 2kb3 s ALA 57 Ca 0.24 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.61 2kb3 s ALA 57 Cb 0.14 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2kb3 s ALA 57 CO 0.13 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2kb3 n GLY 58 N 3.10 2.24 3.81 0.00 0.00 0.80 -4.97 105.19 110.17 2kb3 n GLY 58 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.31 3.48 -0.04 4.61 0.00 -0.73 -4.87 121.76 121.91 2kb3 s ALA 59 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.16 2kb3 s ALA 59 Cb 0.00 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 2kb3 s ALA 59 CO 0.00 0.35 -0.22 -0.98 0.00 0.00 0.00 175.76 174.91 2kb3 s ARG 60 N -1.61 2.07 0.05 0.00 1.04 -1.26 -1.53 118.95 117.71 2kb3 s ARG 60 Ca 0.38 -0.80 0.08 0.00 -1.04 0.00 0.00 55.73 54.35 2kb3 s ARG 60 Cb -0.18 -1.86 -0.03 0.00 -2.04 0.00 0.00 34.95 30.84 2kb3 s ARG 60 CO 0.21 0.40 -0.21 -0.06 -0.04 0.00 0.00 175.30 175.60 2kb3 s PHE 61 N -0.27 2.48 -0.14 5.89 0.08 0.42 -4.93 117.98 121.51 2kb3 s PHE 61 Ca 0.02 -0.30 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 2kb3 s PHE 61 Cb -0.11 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 2kb3 s PHE 61 CO 0.01 0.23 0.01 -0.48 -0.10 0.00 0.00 175.22 174.90 2kb3 s LEU 62 N -1.47 3.58 -0.50 -0.37 -0.00 -1.26 -0.45 118.68 118.20 2kb3 s LEU 62 Ca 0.14 0.05 -0.17 0.00 -0.00 0.00 0.00 54.13 54.15 2kb3 s LEU 62 Cb -0.10 -1.86 0.08 0.00 -0.00 0.00 0.00 46.19 44.30 2kb3 s LEU 62 CO 0.05 0.26 0.51 -0.76 -0.00 0.00 0.00 176.35 176.41 2kb3 s LEU 63 N -0.15 5.42 0.00 1.48 2.01 0.13 -4.76 118.68 122.82 2kb3 s LEU 63 Ca 0.05 -1.23 0.00 0.00 0.01 0.00 0.00 54.13 52.96 2kb3 s LEU 63 Cb -0.12 -2.29 0.00 0.00 0.01 0.00 0.00 46.19 43.79 2kb3 s LEU 63 CO 0.02 -0.79 0.06 -0.67 1.01 0.00 0.00 176.35 175.97 2kb3 n ASP 64 N 5.65 0.12 -4.71 2.29 2.03 -1.26 -1.86 116.55 118.80 2kb3 n ASP 64 Ca -0.10 -0.96 -0.30 0.00 0.52 0.00 0.00 54.79 53.95 2kb3 n ASP 64 Cb 0.44 0.01 -0.08 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.01 2.61 0.53 -0.67 -2.07 -1.26 -5.01 119.66 113.78 2kb3 s GLN 65 Ca 0.00 -0.85 0.28 0.00 -1.82 0.00 0.00 55.36 52.98 2kb3 s GLN 65 Cb 0.00 -2.56 1.43 0.00 -1.09 0.00 0.00 33.01 30.79 2kb3 s GLN 65 CO 0.00 0.53 1.94 -1.35 -1.32 0.00 0.00 175.29 175.09 2kb3 h PRO 66 N 3.27 0.01 -2.93 9.60 0.11 -1.92 -3.40 132.00 136.74 2kb3 h PRO 66 Ca -0.47 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 2kb3 h PRO 66 Cb 1.17 -0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.95 2kb3 h PRO 66 CO 0.61 0.01 -0.54 0.99 -0.21 0.00 0.00 178.00 178.85 2kb3 s THR 67 N -5.01 -0.32 -0.24 -1.15 2.01 -1.26 -0.51 115.64 109.16 2kb3 s THR 67 Ca -0.05 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.23 2kb3 s THR 67 Cb 0.21 -0.40 0.04 0.00 0.01 0.00 0.00 72.50 72.35 2kb3 s THR 67 CO 0.75 0.11 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.80 2kb3 s THR 68 N 2.19 2.42 -0.07 -0.82 2.01 0.10 -4.94 115.64 116.53 2kb3 s THR 68 Ca -0.00 -1.25 -0.23 0.00 0.31 0.00 0.00 61.69 60.52 2kb3 s THR 68 Cb -0.12 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2kb3 s THR 68 CO -0.08 0.18 0.67 -0.89 -0.69 0.00 0.00 174.62 173.81 2kb3 s THR 69 N 1.23 5.06 -0.02 -0.82 2.01 -1.26 -0.04 115.64 121.80 2kb3 s THR 69 Ca -0.02 1.38 0.07 0.00 0.31 0.00 0.00 61.69 63.42 2kb3 s THR 69 Cb -0.17 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2kb3 s THR 69 CO -0.07 0.27 -0.23 0.00 -0.69 0.00 0.00 174.62 173.91 2kb3 s ALA 70 N 0.74 1.88 0.00 7.40 0.00 0.30 -1.55 121.76 130.52 2kb3 s ALA 70 Ca 0.36 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2kb3 s ALA 70 Cb -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.46 2kb3 s ALA 70 CO 0.17 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.79 2kb3 n GLY 71 N 2.56 -0.49 3.13 0.00 0.00 -1.25 -2.24 105.19 106.90 2kb3 n GLY 71 Ca -0.16 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 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 2.80 0.00 1.61 3.52 0.18 -2.28 118.95 122.77 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 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 2kb3 s ARG 72 CO 0.00 -0.33 0.00 1.58 -0.81 0.00 0.00 175.30 175.74 2kb3 n HIS 73 N 4.59 0.00 0.26 5.12 -0.00 -1.26 -3.49 115.22 120.44 2kb3 n HIS 73 Ca -0.18 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.10 2kb3 n HIS 73 Cb 0.48 0.00 0.50 0.00 -0.12 0.00 0.00 29.99 30.85 2kb3 n HIS 73 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2kb3 n PRO 74 N -0.66 0.15 0.01 1.57 -0.04 -1.26 -1.84 135.00 132.93 2kb3 n PRO 74 Ca 0.00 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 2kb3 n PRO 74 Cb 0.00 -1.88 0.30 0.00 -0.04 0.00 0.00 33.50 31.87 2kb3 n PRO 74 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kb3 n GLU 75 N -2.18 0.07 -2.37 0.54 1.02 -1.26 -4.85 120.64 111.61 2kb3 n GLU 75 Ca 0.00 0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 2kb3 n GLU 75 Cb 0.12 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 29.96 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kb3 s SER 76 N -3.29 7.10 -0.01 1.62 0.01 -0.77 -4.91 113.70 113.44 2kb3 s SER 76 Ca 0.10 2.28 -0.21 0.00 1.31 0.00 0.00 55.95 59.44 2kb3 s SER 76 Cb 0.17 -2.62 -0.24 0.00 0.21 0.00 0.00 66.02 63.54 2kb3 s SER 76 CO 0.68 -0.33 1.06 -0.78 0.41 0.00 0.00 173.24 174.28 2kb3 h ASP 77 N 4.74 0.45 -3.63 2.44 1.82 -1.61 -3.41 116.42 117.23 2kb3 h ASP 77 Ca -0.45 -0.78 -0.65 0.00 -0.39 0.00 0.00 57.03 54.75 2kb3 h ASP 77 Cb 1.21 -0.14 -0.23 0.00 0.68 0.00 0.00 39.33 40.86 2kb3 h ASP 77 CO 0.72 1.18 -0.62 0.27 -1.61 0.00 0.00 179.24 179.18 2kb3 s ILE 78 N -3.12 4.28 -0.27 2.25 -4.36 -1.21 -5.07 121.20 113.71 2kb3 s ILE 78 Ca -0.14 -0.24 -0.12 0.00 -0.26 0.00 0.00 60.65 59.90 2kb3 s ILE 78 Cb 0.03 -3.03 -0.05 0.00 1.25 0.00 0.00 42.46 40.66 2kb3 s ILE 78 CO 0.80 0.30 0.21 0.12 0.24 0.00 0.00 174.94 176.62 2kb3 s PHE 79 N 1.60 3.25 -0.08 1.37 5.36 -1.26 -3.79 117.98 124.43 2kb3 s PHE 79 Ca 0.06 0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.22 2kb3 s PHE 79 Cb -0.15 -2.39 -0.03 0.00 -0.34 0.00 0.00 43.02 40.11 2kb3 s PHE 79 CO 0.04 -0.12 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.14 2kb3 s LEU 80 N 1.64 3.39 0.01 6.12 1.43 -0.96 -5.01 118.68 125.30 2kb3 s LEU 80 Ca 0.08 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 2kb3 s LEU 80 Cb -0.15 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2kb3 s LEU 80 CO 0.09 0.37 -0.16 -0.62 0.23 0.00 0.00 176.35 176.26 2kb3 s ASP 81 N -0.84 1.89 0.00 2.29 2.15 -1.26 -3.87 116.67 117.03 2kb3 s ASP 81 Ca 0.13 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.73 2kb3 s ASP 81 Cb -0.11 -0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.33 2kb3 s ASP 81 CO 0.02 0.14 0.00 -0.67 -0.17 0.00 0.00 175.17 174.49 2kb3 n ASP 82 N 2.32 0.00 0.08 -0.34 -0.08 -1.26 -4.40 116.55 112.88 2kb3 n ASP 82 Ca -0.16 -0.14 -0.17 0.00 -1.51 0.00 0.00 54.79 52.80 2kb3 n ASP 82 Cb 0.54 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.86 2kb3 n ASP 82 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2kb3 h VAL 83 N 0.14 1.24 -4.14 5.18 2.07 -2.04 -3.46 116.25 115.24 2kb3 h VAL 83 Ca 0.00 -2.84 -0.48 0.00 0.82 0.00 0.00 66.70 64.20 2kb3 h VAL 83 Cb 0.00 2.83 0.04 0.00 -1.52 0.00 0.00 31.29 32.64 2kb3 h VAL 83 CO 0.00 0.84 0.38 0.28 0.02 0.00 0.00 177.57 179.09 2kb3 s THR 84 N -2.62 3.94 -0.53 2.57 -1.32 -1.26 -5.01 115.64 111.41 2kb3 s THR 84 Ca -0.08 1.05 -0.13 0.00 -1.21 0.00 0.00 61.69 61.33 2kb3 s THR 84 Cb 0.07 -3.47 0.13 0.00 -1.51 0.00 0.00 72.50 67.72 2kb3 s THR 84 CO 0.87 -0.41 0.45 -0.69 -2.21 0.00 0.00 174.62 172.63 2kb3 s VAL 85 N -2.27 4.77 -0.96 5.08 1.01 -1.26 -4.96 120.40 121.81 2kb3 s VAL 85 Ca 0.64 -1.73 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 2kb3 s VAL 85 Cb -0.15 -4.08 0.24 0.00 0.00 0.00 0.00 36.38 32.39 2kb3 s VAL 85 CO 0.28 -0.84 0.95 -0.44 0.00 0.00 0.00 175.10 175.05 2kb3 s SER 86 N 3.03 7.00 0.19 3.32 0.01 -1.25 -4.91 113.70 121.09 2kb3 s SER 86 Ca 0.06 -3.04 -0.12 0.00 1.31 0.00 0.00 55.95 54.16 2kb3 s SER 86 Cb -0.27 -2.23 0.19 0.00 0.21 0.00 0.00 66.02 63.93 2kb3 s SER 86 CO 0.00 -0.49 1.76 0.08 0.41 0.00 0.00 173.24 175.00 2kb3 h ARG 87 N 7.35 0.40 -1.81 12.44 0.11 -1.94 0.50 114.38 131.44 2kb3 h ARG 87 Ca 0.15 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.18 2kb3 h ARG 87 Cb 0.97 -0.09 -0.25 0.00 1.11 0.00 0.00 29.97 31.71 2kb3 h ARG 87 CO 0.89 0.27 -0.33 1.03 0.10 0.00 0.00 179.97 181.93 2kb3 s ARG 88 N -6.12 0.45 -0.26 0.08 0.52 -1.26 -4.48 118.95 107.88 2kb3 s ARG 88 Ca -0.13 0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 55.90 2kb3 s ARG 88 Cb 0.15 0.27 -0.11 0.00 0.52 0.00 0.00 34.95 35.78 2kb3 s ARG 88 CO 0.74 -0.46 -0.35 1.58 0.02 0.00 0.00 175.30 176.83 2kb3 n HIS 89 N 5.41 0.03 -3.66 -0.53 -0.00 -0.95 -3.49 115.22 112.03 2kb3 n HIS 89 Ca -0.06 0.01 -0.11 0.00 0.46 0.00 0.00 57.72 58.02 2kb3 n HIS 89 Cb 0.50 -0.91 -0.05 0.00 -0.12 0.00 0.00 29.99 29.41 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb3 s ALA 90 N -2.58 -0.93 0.05 1.57 0.00 -1.09 -0.71 121.76 118.07 2kb3 s ALA 90 Ca -0.37 0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.69 2kb3 s ALA 90 Cb 0.13 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 2kb3 s ALA 90 CO 0.48 -0.57 -0.12 -1.83 0.00 0.00 0.00 175.76 173.72 2kb3 s GLU 91 N -3.31 0.75 -0.29 0.00 -1.05 0.35 -0.54 118.70 114.62 2kb3 s GLU 91 Ca -0.00 -0.80 -0.09 0.00 -0.15 0.00 0.00 54.97 53.93 2kb3 s GLU 91 Cb 0.01 -0.70 -0.01 0.00 -0.44 0.00 0.00 34.13 32.99 2kb3 s GLU 91 CO -0.08 0.16 0.12 -0.06 0.95 0.00 0.00 175.26 176.35 2kb3 s PHE 92 N -1.10 3.15 -0.14 4.83 0.40 0.95 -0.63 117.98 125.44 2kb3 s PHE 92 Ca -0.03 -0.54 -0.04 0.00 -0.60 0.00 0.00 56.93 55.71 2kb3 s PHE 92 Cb -0.09 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 2kb3 s PHE 92 CO 0.01 -0.43 0.01 0.50 0.70 0.00 0.00 175.22 176.02 2kb3 s ARG 93 N 1.61 3.54 -0.14 0.44 3.52 0.83 0.01 118.95 128.75 2kb3 s ARG 93 Ca 0.05 -0.41 -0.00 0.00 -0.13 0.00 0.00 55.73 55.24 2kb3 s ARG 93 Cb -0.16 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 2kb3 s ARG 93 CO 0.05 0.43 -0.13 0.42 -0.81 0.00 0.00 175.30 175.25 2kb3 s ILE 94 N -0.10 2.94 -0.05 4.11 1.01 0.33 -0.43 121.20 129.01 2kb3 s ILE 94 Ca 0.05 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2kb3 s ILE 94 Cb -0.13 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.14 2kb3 s ILE 94 CO 0.02 0.52 0.04 0.21 0.00 0.00 0.00 174.94 175.73 2kb3 s ASN 95 N 0.54 1.15 -1.46 3.58 3.84 -0.23 -4.72 114.94 117.64 2kb3 s ASN 95 Ca -0.09 0.04 -0.10 0.00 0.21 0.00 0.00 52.86 52.92 2kb3 s ASN 95 Cb -0.16 -0.21 0.05 0.00 -0.55 0.00 0.00 41.25 40.38 2kb3 s ASN 95 CO 0.04 -0.22 0.86 -0.62 -2.79 0.00 0.00 177.10 174.37 2kb3 n GLU 96 N 5.15 -5.60 -0.44 0.43 1.02 -1.26 -1.24 120.64 118.70 2kb3 n GLU 96 Ca -0.06 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 2kb3 n GLU 96 Cb 0.50 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 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 -1.64 1.48 3.70 0.62 0.00 -1.26 -5.02 105.19 103.07 2kb3 n GLY 97 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.23 3.93 -0.23 1.61 2.02 -0.37 -4.90 118.70 120.53 2kb3 s GLU 98 Ca 0.00 -0.28 -0.07 0.00 0.02 0.00 0.00 54.97 54.63 2kb3 s GLU 98 Cb 0.00 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 2kb3 s GLU 98 CO 0.00 0.37 0.07 -0.06 0.02 0.00 0.00 175.26 175.66 2kb3 s PHE 99 N 0.13 3.14 -0.04 1.61 0.08 -1.26 -1.06 117.98 120.57 2kb3 s PHE 99 Ca 0.07 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 56.97 2kb3 s PHE 99 Cb -0.12 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 2kb3 s PHE 99 CO -0.00 -0.16 -0.25 -1.83 -0.10 0.00 0.00 175.22 172.87 2kb3 s GLU 100 N 1.18 2.32 -0.24 0.44 -1.05 0.43 -0.21 118.70 121.55 2kb3 s GLU 100 Ca 0.05 -0.90 -0.08 0.00 -0.15 0.00 0.00 54.97 53.88 2kb3 s GLU 100 Cb -0.14 -2.08 -0.04 0.00 -0.44 0.00 0.00 34.13 31.43 2kb3 s GLU 100 CO 0.03 0.46 0.11 0.08 0.95 0.00 0.00 175.26 176.89 2kb3 s VAL 101 N -0.36 4.75 -0.07 1.83 1.01 0.63 -0.12 120.40 128.07 2kb3 s VAL 101 Ca 0.03 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2kb3 s VAL 101 Cb -0.12 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 2kb3 s VAL 101 CO 0.01 0.34 -0.25 -0.69 0.00 0.00 0.00 175.10 174.52 2kb3 s VAL 102 N 1.33 2.06 0.44 2.92 1.01 0.20 -0.47 120.40 127.90 2kb3 s VAL 102 Ca 0.06 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 2kb3 s VAL 102 Cb -0.15 -1.75 -0.09 0.00 0.00 0.00 0.00 36.38 34.39 2kb3 s VAL 102 CO 0.05 0.57 1.01 1.51 0.00 0.00 0.00 175.10 178.23 2kb3 s ASP 103 N -0.02 6.66 -0.02 3.32 -4.77 0.14 -0.49 116.67 121.48 2kb3 s ASP 103 Ca -0.08 1.87 0.18 0.00 -3.30 0.00 0.00 52.55 51.21 2kb3 s ASP 103 Cb -0.15 -2.56 0.31 0.00 -1.09 0.00 0.00 42.92 39.43 2kb3 s ASP 103 CO 0.05 -0.56 1.13 1.33 0.70 0.00 0.00 175.17 177.83 2kb3 n VAL 104 N -0.61 0.27 0.00 2.11 0.24 0.11 -4.85 118.33 115.59 2kb3 n VAL 104 Ca 0.07 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 2kb3 n VAL 104 Cb 0.52 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 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 0.15 -1.06 0.06 7.63 0.00 -0.98 -4.63 105.19 106.37 2kb3 n GLY 105 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2kb3 n GLY 105 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kb3 n SER 106 N 0.00 0.03 0.30 1.61 2.88 -1.25 -3.37 113.62 113.83 2kb3 n SER 106 Ca 0.00 -0.56 0.20 0.00 -1.33 0.00 0.00 58.87 57.18 2kb3 n SER 106 Cb 0.00 -0.02 0.93 0.00 -0.75 0.00 0.00 64.21 64.37 2kb3 n SER 106 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kb3 h LEU 107 N 0.08 0.00 0.00 2.46 3.38 -1.92 -1.08 115.31 118.23 2kb3 h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kb3 h LEU 107 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2kb3 h LEU 107 CO 0.00 0.00 -0.48 0.59 0.09 0.00 0.00 178.44 178.64 2kb3 n ASN 108 N -3.07 0.62 -0.22 -0.43 3.02 -1.22 -2.74 115.26 111.23 2kb3 n ASN 108 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2kb3 n ASN 108 Cb 0.20 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kb3 n GLY 109 N 1.38 -0.53 3.70 7.41 0.00 -0.41 -3.80 105.19 112.94 2kb3 n GLY 109 Ca 0.04 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.01 5.01 -0.02 2.61 2.01 -1.25 -2.72 115.64 121.27 2kb3 s THR 110 Ca 0.00 1.44 0.01 0.00 0.31 0.00 0.00 61.69 63.45 2kb3 s THR 110 Cb 0.00 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.48 2kb3 s THR 110 CO 0.00 0.19 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.78 2kb3 s TYR 111 N 1.20 0.48 -0.17 4.92 2.02 -0.85 -3.09 117.35 121.86 2kb3 s TYR 111 Ca 0.36 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 2kb3 s TYR 111 Cb -0.17 -0.42 0.03 0.00 -0.40 0.00 0.00 41.96 41.00 2kb3 s TYR 111 CO 0.16 -0.09 -0.13 0.08 -1.57 0.00 0.00 175.55 174.00 2kb3 s VAL 112 N 0.51 1.63 -1.46 0.71 1.01 0.55 0.17 120.40 123.52 2kb3 s VAL 112 Ca -0.06 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 2kb3 s VAL 112 Cb -0.09 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.74 2kb3 s VAL 112 CO -0.01 0.34 0.98 0.59 0.00 0.00 0.00 175.10 177.00 2kb3 n ASN 113 N 4.73 -5.49 0.00 3.32 3.02 0.10 -1.48 115.26 119.45 2kb3 n ASN 113 Ca -0.16 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 2kb3 n ASN 113 Cb 0.48 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.28 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kb3 n ARG 114 N -4.67 -0.91 -4.56 3.52 1.74 -1.26 -5.02 116.66 105.50 2kb3 n ARG 114 Ca 0.01 0.23 -0.34 0.00 -0.77 0.00 0.00 57.85 56.98 2kb3 n ARG 114 Cb 0.55 -3.96 -0.12 0.00 -1.02 0.00 0.00 32.46 27.91 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 -0.96 3.11 0.15 5.56 0.41 -0.55 -5.03 118.70 121.39 2kb3 s GLU 115 Ca 0.00 -0.55 -0.30 0.00 -0.41 0.00 0.00 54.97 53.71 2kb3 s GLU 115 Cb 0.00 -2.70 -0.07 0.00 -1.78 0.00 0.00 34.13 29.58 2kb3 s GLU 115 CO 0.00 0.49 0.99 -1.25 -0.49 0.00 0.00 175.26 175.00 2kb3 s PRO 116 N -0.34 4.71 0.28 0.39 0.04 -1.26 -0.33 135.00 138.49 2kb3 s PRO 116 Ca 0.05 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 2kb3 s PRO 116 Cb -0.12 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.09 2kb3 s PRO 116 CO 0.02 0.24 0.41 0.54 0.04 0.00 0.00 177.00 178.25 2kb3 n ARG 117 N 2.45 0.59 0.00 4.56 1.74 -1.18 -4.95 116.66 119.87 2kb3 n ARG 117 Ca 0.02 -2.18 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 2kb3 n ARG 117 Cb 0.48 2.14 0.00 0.00 -1.02 0.00 0.00 32.46 34.06 2kb3 n ARG 117 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2kb3 n ASN 118 N -1.70 4.45 -3.80 0.55 4.13 -1.26 -4.64 115.26 112.98 2kb3 n ASN 118 Ca -0.00 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.13 2kb3 n ASN 118 Cb 0.47 0.41 -0.13 0.00 -1.54 0.00 0.00 39.78 38.98 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 -1.91 -0.32 -0.20 5.41 0.00 -1.26 0.23 121.76 123.72 2kb3 s ALA 119 Ca 0.00 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 2kb3 s ALA 119 Cb 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 23.12 22.92 2kb3 s ALA 119 CO 0.00 -0.09 0.43 -1.14 0.00 0.00 0.00 175.76 174.96 2kb3 s GLN 120 N 0.37 0.36 -0.29 0.00 -0.44 0.38 -4.99 119.66 115.04 2kb3 s GLN 120 Ca -0.02 1.00 -0.28 0.00 -2.50 0.00 0.00 55.36 53.55 2kb3 s GLN 120 Cb -0.04 0.26 0.01 0.00 -1.64 0.00 0.00 33.01 31.60 2kb3 s GLN 120 CO -0.02 -0.23 1.01 0.08 0.50 0.00 0.00 175.29 176.64 2kb3 s VAL 121 N 2.31 4.61 -0.09 1.34 1.01 -1.26 -0.27 120.40 128.05 2kb3 s VAL 121 Ca -0.04 1.72 -0.11 0.00 0.00 0.00 0.00 61.98 63.55 2kb3 s VAL 121 Cb -0.11 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2kb3 s VAL 121 CO -0.13 -0.36 0.26 -0.32 0.00 0.00 0.00 175.10 174.56 2kb3 s MET 122 N 3.41 3.79 0.22 2.72 1.75 0.70 -4.96 119.30 126.93 2kb3 s MET 122 Ca 0.43 0.10 0.09 0.00 -1.25 0.00 0.00 55.69 55.07 2kb3 s MET 122 Cb -0.13 -3.25 -0.04 0.00 2.84 0.00 0.00 34.83 34.24 2kb3 s MET 122 CO 0.12 0.63 -0.06 -0.65 -0.65 0.00 0.00 175.02 174.41 2kb3 s GLN 123 N -0.72 2.14 0.25 4.11 -0.21 -1.26 -4.38 119.66 119.59 2kb3 s GLN 123 Ca 0.18 -1.37 -0.30 0.00 0.02 0.00 0.00 55.36 53.89 2kb3 s GLN 123 Cb -0.14 -2.14 -0.11 0.00 1.00 0.00 0.00 33.01 31.63 2kb3 s GLN 123 CO 0.07 0.40 1.55 -0.08 -2.12 0.00 0.00 175.29 175.11 2kb3 s THR 124 N -2.03 2.33 0.00 -0.19 -1.32 -1.26 -2.11 115.64 111.06 2kb3 s THR 124 Ca 0.28 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 61.03 2kb3 s THR 124 Cb -0.07 -3.17 0.00 0.00 -1.51 0.00 0.00 72.50 67.74 2kb3 s THR 124 CO 0.17 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 2kb3 n GLY 125 N 2.56 0.51 3.78 6.08 0.00 0.10 -4.96 105.19 113.26 2kb3 n GLY 125 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.99 7.36 -0.11 1.61 1.01 -0.89 -4.88 116.67 117.77 2kb3 s ASP 126 Ca 0.00 1.72 0.00 0.00 0.71 0.00 0.00 52.55 54.98 2kb3 s ASP 126 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2kb3 s ASP 126 CO 0.00 0.08 -0.12 -1.61 0.21 0.00 0.00 175.17 173.73 2kb3 s GLU 127 N -1.59 3.19 -0.14 8.23 2.02 -1.26 -0.82 118.70 128.34 2kb3 s GLU 127 Ca 0.42 -0.67 -0.04 0.00 0.02 0.00 0.00 54.97 54.71 2kb3 s GLU 127 Cb -0.21 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 2kb3 s GLU 127 CO 0.26 0.33 -0.01 0.42 0.02 0.00 0.00 175.26 176.28 2kb3 s ILE 128 N 0.06 4.19 -0.21 -1.63 1.01 0.95 0.03 121.20 125.60 2kb3 s ILE 128 Ca -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.34 2kb3 s ILE 128 Cb -0.14 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.52 2kb3 s ILE 128 CO 0.04 0.52 -0.13 -1.10 0.00 0.00 0.00 174.94 174.27 2kb3 s GLN 129 N 0.01 2.93 -0.42 2.79 -0.21 0.13 -0.04 119.66 124.84 2kb3 s GLN 129 Ca 0.02 -0.89 -0.06 0.00 0.02 0.00 0.00 55.36 54.45 2kb3 s GLN 129 Cb -0.13 -2.77 0.10 0.00 1.00 0.00 0.00 33.01 31.21 2kb3 s GLN 129 CO 0.02 -0.29 0.24 0.42 -2.12 0.00 0.00 175.29 173.56 2kb3 s ILE 130 N 1.31 3.78 0.00 1.08 -1.09 -0.92 -2.00 121.20 123.35 2kb3 s ILE 130 Ca 0.02 -1.74 0.00 0.00 -2.23 0.00 0.00 60.65 56.71 2kb3 s ILE 130 Cb -0.15 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2kb3 s ILE 130 CO -0.09 -0.61 0.00 0.61 -1.23 0.00 0.00 174.94 173.62 2kb3 n GLY 131 N 4.77 1.05 0.00 6.18 0.00 -1.10 -0.48 105.19 115.61 2kb3 n GLY 131 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -2.72 1.61 2.85 -1.26 -4.87 118.16 113.77 2kb3 n LYS 132 Ca 0.00 -0.24 -0.33 0.00 -1.05 0.00 0.00 58.31 56.69 2kb3 n LYS 132 Cb 0.00 -0.45 -0.06 0.00 -0.65 0.00 0.00 35.03 33.87 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kb3 s PHE 133 N 0.00 3.25 -0.16 5.58 0.40 0.36 -4.80 117.98 122.62 2kb3 s PHE 133 Ca 0.00 1.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 2kb3 s PHE 133 Cb 0.00 -2.89 0.03 0.00 0.51 0.00 0.00 43.02 40.67 2kb3 s PHE 133 CO 0.00 -0.29 -0.13 0.50 0.70 0.00 0.00 175.22 176.00 2kb3 s ARG 134 N -3.28 2.19 -0.01 0.44 6.06 -0.69 -2.16 118.95 121.50 2kb3 s ARG 134 Ca 0.63 -0.61 0.07 0.00 -2.50 0.00 0.00 55.73 53.32 2kb3 s ARG 134 Cb -0.11 -2.16 -0.02 0.00 0.06 0.00 0.00 34.95 32.72 2kb3 s ARG 134 CO 0.16 -0.29 -0.23 -0.51 -2.50 0.00 0.00 175.30 171.93 2kb3 s LEU 135 N 1.48 2.07 -0.20 -0.88 1.02 0.94 0.13 118.68 123.22 2kb3 s LEU 135 Ca 0.03 -0.44 -0.04 0.00 0.02 0.00 0.00 54.13 53.70 2kb3 s LEU 135 Cb -0.14 -1.18 -0.01 0.00 0.02 0.00 0.00 46.19 44.88 2kb3 s LEU 135 CO -0.10 0.27 -0.04 -0.69 0.02 0.00 0.00 176.35 175.81 2kb3 s VAL 136 N -0.59 3.52 -0.22 -1.59 1.01 0.82 -0.03 120.40 123.32 2kb3 s VAL 136 Ca 0.09 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2kb3 s VAL 136 Cb -0.09 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2kb3 s VAL 136 CO -0.00 0.44 0.18 0.12 0.00 0.00 0.00 175.10 175.83 2kb3 s PHE 137 N 1.21 3.37 0.08 5.22 2.19 0.00 -0.63 117.98 129.42 2kb3 s PHE 137 Ca 0.03 0.32 0.02 0.00 0.33 0.00 0.00 56.93 57.63 2kb3 s PHE 137 Cb -0.14 -2.25 -0.03 0.00 -1.31 0.00 0.00 43.02 39.28 2kb3 s PHE 137 CO -0.01 0.16 -0.08 -0.51 1.83 0.00 0.00 175.22 176.61 2kb3 s LEU 138 N 0.77 2.40 0.23 6.12 1.02 0.17 0.03 118.68 129.42 2kb3 s LEU 138 Ca 0.09 -0.81 -0.25 0.00 0.02 0.00 0.00 54.13 53.18 2kb3 s LEU 138 Cb -0.13 -0.17 -0.09 0.00 0.02 0.00 0.00 46.19 45.82 2kb3 s LEU 138 CO 0.02 -0.32 0.84 0.00 0.02 0.00 0.00 176.35 176.91 2kb3 s ALA 139 N -2.58 3.36 -0.42 4.21 0.00 -1.26 -0.07 121.76 124.99 2kb3 s ALA 139 Ca 0.03 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 2kb3 s ALA 139 Cb -0.02 -3.03 0.06 0.00 0.00 0.00 0.00 23.12 20.13 2kb3 s ALA 139 CO -0.02 0.25 0.27 0.20 0.00 0.00 0.00 175.76 176.47 2kb3 s GLY 140 N -1.39 1.97 0.33 0.00 0.00 -0.42 -4.69 107.32 103.13 2kb3 s GLY 140 Ca 0.42 -2.02 -0.27 0.00 0.00 0.00 0.00 44.72 42.85 2kb3 s GLY 140 CO 0.25 0.95 1.13 -4.14 0.00 0.00 0.00 173.10 171.29 2kb3 s PRO 141 N 1.50 4.39 0.00 2.90 0.02 -1.26 -4.26 135.00 138.29 2kb3 s PRO 141 Ca 0.03 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.85 2kb3 s PRO 141 Cb -0.22 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.36 2kb3 s PRO 141 CO 0.04 -0.02 0.00 0.00 -0.33 0.00 0.00 177.00 176.69 2kb3 n ALA 142 N 0.66 0.00 0.76 -1.55 0.00 -1.26 -5.03 120.51 114.09 2kb3 n ALA 142 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 2kb3 n ALA 142 Cb 0.46 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.98 2kb3 n ALA 142 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65