#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 -0.66 0.00 7.83 1.04 -1.26 -4.61 113.70 116.03 2kb3 s SER 2 Ca 0.00 1.13 0.00 0.00 0.48 0.00 0.00 55.95 57.56 2kb3 s SER 2 Cb 0.00 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.16 2kb3 s SER 2 CO 0.00 -0.21 0.18 -0.67 0.98 0.00 0.00 173.24 173.53 2kb3 n ASP 3 N 3.93 0.00 -3.72 7.02 2.03 -1.26 -4.94 116.55 119.60 2kb3 n ASP 3 Ca -0.20 0.56 -0.12 0.00 0.52 0.00 0.00 54.79 55.55 2kb3 n ASP 3 Cb 0.57 -0.46 -0.13 0.00 -0.72 0.00 0.00 41.12 40.38 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 -2.69 -0.31 -0.15 1.67 0.01 -1.26 -5.10 114.94 107.10 2kb3 s ASN 4 Ca 0.00 0.59 -0.29 0.00 -0.71 0.00 0.00 52.86 52.45 2kb3 s ASN 4 Cb 0.00 0.48 -0.05 0.00 0.41 0.00 0.00 41.25 42.09 2kb3 s ASN 4 CO 0.00 -0.17 1.83 0.21 -1.51 0.00 0.00 177.10 177.46 2kb3 s ASN 5 N 1.24 6.20 -0.61 -1.22 3.04 -1.26 -4.83 114.94 117.50 2kb3 s ASN 5 Ca -0.09 1.95 -0.18 0.00 0.04 0.00 0.00 52.86 54.58 2kb3 s ASN 5 Cb -0.10 -2.53 0.12 0.00 -1.54 0.00 0.00 41.25 37.20 2kb3 s ASN 5 CO -0.09 -1.35 0.68 -0.83 -3.04 0.00 0.00 177.10 172.46 2kb3 s GLY 6 N 5.14 1.91 -0.32 1.21 0.00 -1.26 -4.89 107.32 109.11 2kb3 s GLY 6 Ca 0.82 -2.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.12 2kb3 s GLY 6 CO 0.33 1.49 0.03 -0.51 0.00 0.00 0.00 173.10 174.44 2kb3 s THR 7 N 2.27 3.02 0.49 0.90 -4.23 -1.19 -0.62 115.64 116.26 2kb3 s THR 7 Ca 0.11 -1.53 -0.24 0.00 -1.18 0.00 0.00 61.69 58.85 2kb3 s THR 7 Cb -0.24 -2.81 -0.07 0.00 1.34 0.00 0.00 72.50 70.72 2kb3 s THR 7 CO 0.04 -0.22 1.40 -2.65 -0.54 0.00 0.00 174.62 172.65 2kb3 n PRO 8 N 4.60 2.03 -2.79 3.99 -0.02 -1.23 -4.96 135.00 136.63 2kb3 n PRO 8 Ca -0.11 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 2kb3 n PRO 8 Cb 0.43 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.23 2kb3 n PRO 8 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2kb3 s GLU 9 N -2.61 4.22 -0.32 -0.52 -1.05 -1.26 -4.93 118.70 112.23 2kb3 s GLU 9 Ca 0.65 1.16 -0.36 0.00 -0.15 0.00 0.00 54.97 56.28 2kb3 s GLU 9 Cb -0.44 -2.23 -0.12 0.00 -0.44 0.00 0.00 34.13 30.90 2kb3 s GLU 9 CO 0.54 -0.04 2.11 -0.35 0.95 0.00 0.00 175.26 178.47 2kb3 n PRO 10 N -0.56 1.17 -3.79 -4.83 -0.04 -1.26 -4.93 135.00 120.76 2kb3 n PRO 10 Ca 0.07 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2kb3 n PRO 10 Cb 0.53 -2.42 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 2kb3 n PRO 10 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2kb3 s GLN 11 N 5.72 0.45 -0.16 0.54 -2.07 -1.26 -5.15 119.66 117.73 2kb3 s GLN 11 Ca 1.07 0.09 -0.02 0.00 -1.82 0.00 0.00 55.36 54.67 2kb3 s GLN 11 Cb -0.88 0.21 -0.02 0.00 -1.09 0.00 0.00 33.01 31.23 2kb3 s GLN 11 CO 0.51 -0.09 -0.08 0.08 -1.32 0.00 0.00 175.29 174.39 2kb3 s VAL 12 N -0.54 3.42 0.16 3.63 1.01 -1.26 -5.04 120.40 121.78 2kb3 s VAL 12 Ca -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2kb3 s VAL 12 Cb -0.04 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2kb3 s VAL 12 CO 0.02 0.49 0.01 -1.61 0.00 0.00 0.00 175.10 174.01 2kb3 s GLU 13 N 0.65 1.06 0.00 2.72 2.02 -1.26 -5.14 118.70 118.75 2kb3 s GLU 13 Ca -0.04 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.44 2kb3 s GLU 13 Cb -0.15 -0.15 0.00 0.00 0.10 0.00 0.00 34.13 33.93 2kb3 s GLU 13 CO 0.02 -0.15 0.00 2.41 0.02 0.00 0.00 175.26 177.56 2kb3 n THR 14 N -0.20 0.00 -3.55 3.63 -1.04 -1.26 -5.06 114.28 106.80 2kb3 n THR 14 Ca -0.07 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.80 2kb3 n THR 14 Cb 0.63 -1.02 -0.06 0.00 -1.82 0.00 0.00 70.33 68.06 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 -1.00 -0.56 -0.34 8.00 0.01 -1.26 -5.04 113.70 113.52 2kb3 s SER 16 Ca 0.00 0.65 -0.24 0.00 1.31 0.00 0.00 55.95 57.67 2kb3 s SER 16 Cb 0.00 0.52 0.01 0.00 0.21 0.00 0.00 66.02 66.75 2kb3 s SER 16 CO 0.00 -0.48 0.83 -0.69 0.41 0.00 0.00 173.24 173.31 2kb3 s VAL 17 N -1.04 4.72 -0.24 3.43 1.01 -1.26 -4.79 120.40 122.23 2kb3 s VAL 17 Ca -0.07 1.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.99 2kb3 s VAL 17 Cb -0.01 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2kb3 s VAL 17 CO 0.06 -0.37 0.04 0.72 0.00 0.00 0.00 175.10 175.55 2kb3 s PHE 18 N 3.14 3.05 0.00 5.22 -0.71 -1.26 -5.08 117.98 122.34 2kb3 s PHE 18 Ca 0.34 -0.55 0.02 0.00 -1.04 0.00 0.00 56.93 55.70 2kb3 s PHE 18 Cb -0.13 -2.20 -0.01 0.00 -1.21 0.00 0.00 43.02 39.47 2kb3 s PHE 18 CO 0.15 -0.40 -0.07 1.03 -1.34 0.00 0.00 175.22 174.58 2kb3 s ARG 19 N 1.56 0.58 0.00 1.99 0.52 -1.26 -4.77 118.95 117.57 2kb3 s ARG 19 Ca 0.06 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 2kb3 s ARG 19 Cb -0.15 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.78 2kb3 s ARG 19 CO 0.02 0.14 0.00 0.00 0.02 0.00 0.00 175.30 175.48 2kb3 n ALA 20 N 2.72 0.00 0.13 2.13 0.00 -1.26 -4.71 120.51 119.52 2kb3 n ALA 20 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 2kb3 n ALA 20 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 2kb3 n ALA 20 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2kb3 h ASP 21 N 0.00 0.72 0.32 0.00 2.03 -2.00 -2.69 116.42 114.80 2kb3 h ASP 21 Ca 0.00 -0.78 -0.03 0.00 -0.73 0.00 0.00 57.03 55.49 2kb3 h ASP 21 Cb 0.00 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.26 2kb3 h ASP 21 CO 0.00 1.61 -0.16 0.17 -1.03 0.00 0.00 179.24 179.83 2kb3 h LEU 22 N 0.13 0.00 -0.07 0.15 8.10 -1.86 -0.98 115.31 120.78 2kb3 h LEU 22 Ca -0.22 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.52 2kb3 h LEU 22 Cb 2.12 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 42.35 2kb3 h LEU 22 CO 0.26 0.16 -0.93 0.25 -4.11 0.00 0.00 178.44 174.06 2kb3 h LEU 23 N 0.00 0.93 -0.39 0.17 5.85 -1.91 0.01 115.31 119.98 2kb3 h LEU 23 Ca -0.00 -0.69 -0.12 0.00 0.84 0.00 0.00 57.88 57.91 2kb3 h LEU 23 Cb 0.36 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2kb3 h LEU 23 CO 0.02 1.49 -0.24 0.11 -0.34 0.00 0.00 178.44 179.48 2kb3 h LYS 24 N 0.46 0.85 -0.43 1.25 1.57 -1.09 -2.76 116.57 116.42 2kb3 h LYS 24 Ca -0.10 -0.39 -0.14 0.00 -1.87 0.00 0.00 60.65 58.15 2kb3 h LYS 24 Cb 1.58 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 2kb3 h LYS 24 CO 0.19 1.03 -0.29 1.49 -0.57 0.00 0.00 179.45 181.31 2kb3 h GLU 25 N 0.65 0.94 -0.94 3.15 4.57 -1.17 -2.94 114.58 118.85 2kb3 h GLU 25 Ca 0.08 -0.44 0.02 0.00 -1.18 0.00 0.00 59.36 57.84 2kb3 h GLU 25 Cb 0.81 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.34 2kb3 h GLU 25 CO 0.07 1.10 0.62 1.98 -1.18 0.00 0.00 179.01 181.59 2kb3 h MET 26 N 0.80 1.19 -0.67 1.92 4.05 -0.91 0.20 114.93 121.51 2kb3 h MET 26 Ca 0.09 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 2kb3 h MET 26 Cb 0.86 -0.27 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 2kb3 h MET 26 CO 0.08 0.79 0.22 0.93 0.23 0.00 0.00 176.91 179.16 2kb3 h GLU 27 N 1.23 1.02 -0.21 0.39 4.39 -1.35 0.17 114.58 120.21 2kb3 h GLU 27 Ca 0.36 -0.20 -0.19 0.00 0.34 0.00 0.00 59.36 59.67 2kb3 h GLU 27 Cb -0.08 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 2kb3 h GLU 27 CO -0.09 0.86 -0.63 0.77 -1.16 0.00 0.00 179.01 178.76 2kb3 h SER 28 N 0.98 0.86 -0.18 1.42 0.02 -1.10 -3.25 113.55 112.30 2kb3 h SER 28 Ca 0.22 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 2kb3 h SER 28 Cb 0.26 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2kb3 h SER 28 CO -0.01 1.28 -0.01 -1.28 -1.14 0.00 0.00 176.83 175.67 2kb3 h SER 29 N 0.56 0.32 -2.29 3.07 0.87 -0.26 -3.39 113.55 112.42 2kb3 h SER 29 Ca -0.01 -0.32 -0.58 0.00 -1.23 0.00 0.00 61.79 59.64 2kb3 h SER 29 Cb 1.23 -0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 62.99 2kb3 h SER 29 CO 0.13 0.56 0.94 -0.89 -0.53 0.00 0.00 176.83 177.04 2kb3 s THR 30 N -4.93 3.99 -0.14 2.23 2.01 0.57 -4.73 115.64 114.65 2kb3 s THR 30 Ca -0.14 -0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.61 2kb3 s THR 30 Cb 0.06 -4.86 -0.05 0.00 0.01 0.00 0.00 72.50 67.67 2kb3 s THR 30 CO 0.73 -1.72 -0.29 0.61 -0.69 0.00 0.00 174.62 173.25 2kb3 n GLY 31 N 5.56 -0.47 3.31 4.40 0.00 -1.26 -4.83 105.19 111.89 2kb3 n GLY 31 Ca 0.06 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.70 2.99 -0.65 2.61 2.01 -1.26 -5.07 115.64 113.56 2kb3 s THR 32 Ca -0.24 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 60.99 2kb3 s THR 32 Cb 0.03 -2.29 0.17 0.00 0.01 0.00 0.00 72.50 70.42 2kb3 s THR 32 CO 0.36 0.49 0.56 0.00 -0.69 0.00 0.00 174.62 175.33 2kb3 s ALA 33 N 0.91 3.74 0.33 7.40 0.00 -1.26 -5.07 121.76 127.81 2kb3 s ALA 33 Ca -0.03 -2.97 -0.27 0.00 0.00 0.00 0.00 51.96 48.70 2kb3 s ALA 33 Cb -0.15 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 2kb3 s ALA 33 CO -0.00 -2.11 1.04 -2.14 0.00 0.00 0.00 175.76 172.55 2kb3 s PRO 34 N 0.70 4.48 0.35 0.00 0.02 -1.26 -5.05 135.00 134.24 2kb3 s PRO 34 Ca 0.12 1.58 -0.08 0.00 0.02 0.00 0.00 61.00 62.64 2kb3 s PRO 34 Cb -0.20 -2.90 -0.06 0.00 0.02 0.00 0.00 34.50 31.37 2kb3 s PRO 34 CO -0.04 0.13 0.67 0.00 -0.33 0.00 0.00 177.00 177.43 2kb3 s ALA 35 N -1.42 3.48 0.03 -1.55 0.00 -1.26 -5.08 121.76 115.96 2kb3 s ALA 35 Ca 0.50 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.14 2kb3 s ALA 35 Cb -0.25 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 2kb3 s ALA 35 CO 0.32 0.11 -0.14 -1.12 0.00 0.00 0.00 175.76 174.93 2kb3 s SER 36 N -3.16 4.07 0.02 0.00 0.01 -1.26 -5.12 113.70 108.26 2kb3 s SER 36 Ca 0.48 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.44 2kb3 s SER 36 Cb -0.10 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.34 2kb3 s SER 36 CO 0.31 0.26 -0.11 -0.89 0.41 0.00 0.00 173.24 173.22 2kb3 s THR 37 N -0.95 0.83 0.00 1.44 2.01 -1.26 -4.80 115.64 112.90 2kb3 s THR 37 Ca 0.15 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2kb3 s THR 37 Cb -0.11 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.65 2kb3 s THR 37 CO 0.06 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2kb3 n GLY 38 N 2.18 1.09 0.09 4.40 0.00 -1.26 -4.94 105.19 106.76 2kb3 n GLY 38 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.69 1.37 1.62 4.61 0.00 -1.26 -3.79 120.51 121.37 2kb3 n ALA 39 Ca 0.00 -0.72 0.11 0.00 0.00 0.00 0.00 53.44 52.83 2kb3 n ALA 39 Cb 0.00 -0.83 0.50 0.00 0.00 0.00 0.00 19.45 19.12 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 -3.14 1.38 0.12 0.00 0.00 -1.26 -3.53 120.64 114.21 2kb3 n GLU 40 Ca -0.20 -0.56 -0.18 0.00 0.00 0.00 0.00 57.16 56.22 2kb3 n GLU 40 Cb 1.05 -1.37 -0.15 0.00 0.00 0.00 0.00 31.44 30.98 2kb3 n GLU 40 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2kb3 h ASN 41 N 1.17 0.54 -6.36 -1.84 4.21 -1.88 -3.48 115.58 107.94 2kb3 h ASN 41 Ca 0.00 -0.58 -0.48 0.00 1.21 0.00 0.00 56.30 56.45 2kb3 h ASN 41 Cb 0.25 -0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 37.24 2kb3 h ASN 41 CO 0.00 1.46 -0.83 0.18 -1.29 0.00 0.00 177.43 176.95 2kb3 n LEU 42 N -3.58 -2.51 0.12 1.61 7.99 -1.23 -4.92 117.00 114.48 2kb3 n LEU 42 Ca -0.11 -0.89 -0.13 0.00 -0.01 0.00 0.00 56.01 54.87 2kb3 n LEU 42 Cb 1.05 -2.43 -0.08 0.00 -0.11 0.00 0.00 43.42 41.85 2kb3 n LEU 42 CO 0.56 0.42 0.65 1.55 -1.51 0.00 0.00 177.39 179.06 2kb3 h PRO 43 N -1.87 -0.28 0.00 3.23 0.13 -1.90 -3.09 132.00 128.22 2kb3 h PRO 43 Ca -0.61 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2kb3 h PRO 43 Cb 1.37 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.57 2kb3 h PRO 43 CO 0.64 -0.01 -0.27 0.00 -0.23 0.00 0.00 178.00 178.13 2kb3 h ALA 44 N 0.17 0.85 0.00 -0.56 0.00 -1.89 -3.47 119.26 114.37 2kb3 h ALA 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kb3 h ALA 44 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kb3 h ALA 44 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2kb3 n GLY 45 N 1.19 1.09 3.65 0.00 0.00 -1.17 -4.98 105.19 104.97 2kb3 n GLY 45 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kb3 s SER 46 N -3.05 4.00 0.03 1.61 0.15 -1.26 -5.02 113.70 110.17 2kb3 s SER 46 Ca 0.00 -1.31 -0.00 0.00 0.70 0.00 0.00 55.95 55.34 2kb3 s SER 46 Cb 0.00 -0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 2kb3 s SER 46 CO 0.00 -0.47 -0.03 0.00 1.20 0.00 0.00 173.24 173.93 2kb3 s ALA 47 N -2.69 0.27 0.12 5.45 0.00 -1.26 -0.61 121.76 123.05 2kb3 s ALA 47 Ca 0.36 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.59 2kb3 s ALA 47 Cb 0.09 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 2kb3 s ALA 47 CO 0.19 -0.21 -0.13 -0.48 0.00 0.00 0.00 175.76 175.13 2kb3 s LEU 48 N -1.90 2.42 -0.14 0.00 -0.00 0.65 -0.68 118.68 119.04 2kb3 s LEU 48 Ca -0.09 -0.84 0.02 0.00 -0.00 0.00 0.00 54.13 53.22 2kb3 s LEU 48 Cb -0.05 -0.50 0.01 0.00 -0.00 0.00 0.00 46.19 45.65 2kb3 s LEU 48 CO -0.03 -0.18 -0.21 -1.48 -0.00 0.00 0.00 176.35 174.44 2kb3 s LEU 49 N -2.57 2.17 -0.09 1.48 2.34 0.04 -0.39 118.68 121.66 2kb3 s LEU 49 Ca 0.10 -0.58 0.01 0.00 0.06 0.00 0.00 54.13 53.72 2kb3 s LEU 49 Cb -0.04 -1.46 -0.02 0.00 -0.56 0.00 0.00 46.19 44.11 2kb3 s LEU 49 CO 0.02 0.08 -0.12 0.54 -1.06 0.00 0.00 176.35 175.82 2kb3 s VAL 50 N 0.81 3.21 -0.22 1.48 0.11 -0.20 -1.88 120.40 123.71 2kb3 s VAL 50 Ca -0.07 -0.64 -0.29 0.00 -2.93 0.00 0.00 61.98 58.05 2kb3 s VAL 50 Cb -0.16 -2.31 -0.01 0.00 -1.53 0.00 0.00 36.38 32.37 2kb3 s VAL 50 CO -0.01 0.56 1.30 -0.69 -3.33 0.00 0.00 175.10 172.92 2kb3 s VAL 51 N -0.22 4.19 -0.00 2.04 1.01 -0.06 -0.11 120.40 127.24 2kb3 s VAL 51 Ca 0.01 1.40 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 2kb3 s VAL 51 Cb -0.13 -4.04 -0.33 0.00 0.00 0.00 0.00 36.38 31.88 2kb3 s VAL 51 CO 0.03 -0.27 0.85 0.50 0.00 0.00 0.00 175.10 176.21 2kb3 h LYS 52 N 8.75 0.45 -1.95 2.72 3.11 -1.33 -0.49 116.57 127.84 2kb3 h LYS 52 Ca -0.27 -0.77 -0.04 0.00 -2.81 0.00 0.00 60.65 56.77 2kb3 h LYS 52 Cb 1.10 0.29 -0.21 0.00 -1.00 0.00 0.00 32.23 32.41 2kb3 h LYS 52 CO 1.00 1.36 0.19 0.50 -2.81 0.00 0.00 179.45 179.69 2kb3 s ARG 53 N -2.59 0.89 0.00 1.90 3.52 -1.19 -4.60 118.95 116.88 2kb3 s ARG 53 Ca -0.12 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.14 2kb3 s ARG 53 Cb 0.05 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 2kb3 s ARG 53 CO 0.90 -0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.61 2kb3 n GLY 54 N 1.90 0.60 0.12 8.12 0.00 -1.26 -3.07 105.19 111.60 2kb3 n GLY 54 Ca -0.16 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 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 5.04 0.31 -0.83 1.61 0.11 -2.00 -2.67 132.00 133.57 2kb3 h PRO 55 Ca 0.00 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 2kb3 h PRO 55 Cb 0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 2kb3 h PRO 55 CO 0.00 0.26 0.07 0.09 -0.21 0.00 0.00 178.00 178.21 2kb3 n ASN 56 N -4.89 3.41 -4.67 -2.05 4.13 -1.26 -4.96 115.26 104.97 2kb3 n ASN 56 Ca -0.03 -2.54 -0.45 0.00 1.68 0.00 0.00 54.58 53.24 2kb3 n ASN 56 Cb 0.06 -0.61 -0.03 0.00 -1.54 0.00 0.00 39.78 37.66 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 n ALA 57 N 0.18 1.07 0.00 5.41 0.00 -1.01 -1.82 120.51 124.34 2kb3 n ALA 57 Ca 0.17 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2kb3 n ALA 57 Cb 0.81 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 2.31 3.06 3.79 0.00 0.00 -0.19 -4.97 105.19 109.18 2kb3 n GLY 58 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.93 3.16 -0.10 4.61 0.00 -0.76 -4.82 121.76 120.92 2kb3 s ALA 59 Ca 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 2kb3 s ALA 59 Cb 0.00 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.96 2kb3 s ALA 59 CO 0.00 0.11 0.25 -0.98 0.00 0.00 0.00 175.76 175.14 2kb3 s ARG 60 N -2.35 0.26 0.05 0.00 3.03 -1.26 -0.89 118.95 117.80 2kb3 s ARG 60 Ca 0.54 0.42 0.09 0.00 2.03 0.00 0.00 55.73 58.80 2kb3 s ARG 60 Cb -0.17 0.05 -0.03 0.00 -1.03 0.00 0.00 34.95 33.77 2kb3 s ARG 60 CO 0.22 -0.08 -0.25 -0.06 -1.13 0.00 0.00 175.30 174.00 2kb3 s PHE 61 N 0.55 2.15 0.02 5.89 0.08 -0.79 -4.96 117.98 120.92 2kb3 s PHE 61 Ca -0.03 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.65 2kb3 s PHE 61 Cb -0.05 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 2kb3 s PHE 61 CO -0.03 0.14 -0.05 -0.48 -0.10 0.00 0.00 175.22 174.70 2kb3 s LEU 62 N -1.32 3.24 -0.58 -0.37 2.34 -1.26 -0.78 118.68 119.95 2kb3 s LEU 62 Ca 0.10 -0.15 -0.27 0.00 0.06 0.00 0.00 54.13 53.87 2kb3 s LEU 62 Cb -0.10 -1.89 0.01 0.00 -0.56 0.00 0.00 46.19 43.65 2kb3 s LEU 62 CO 0.02 0.26 1.53 -0.76 -1.06 0.00 0.00 176.35 176.34 2kb3 s LEU 63 N -1.62 3.35 0.00 1.48 2.01 0.14 -4.65 118.68 119.39 2kb3 s LEU 63 Ca 0.19 0.25 0.00 0.00 0.01 0.00 0.00 54.13 54.58 2kb3 s LEU 63 Cb -0.11 -2.88 0.00 0.00 0.01 0.00 0.00 46.19 43.20 2kb3 s LEU 63 CO 0.10 -1.89 0.80 -0.67 1.01 0.00 0.00 176.35 175.70 2kb3 n ASP 64 N 10.36 1.47 -4.00 2.29 -0.08 -1.26 -4.48 116.55 120.85 2kb3 n ASP 64 Ca 0.14 -1.63 -0.13 0.00 -1.51 0.00 0.00 54.79 51.65 2kb3 n ASP 64 Cb 0.50 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.83 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kb3 s GLN 65 N -0.63 0.41 0.23 -0.67 0.00 -1.26 -4.95 119.66 112.79 2kb3 s GLN 65 Ca 0.00 -0.49 0.24 0.00 -0.00 0.00 0.00 55.36 55.10 2kb3 s GLN 65 Cb 0.00 -0.23 0.94 0.00 0.00 0.00 0.00 33.01 33.71 2kb3 s GLN 65 CO 0.00 0.05 1.72 -2.30 0.00 0.00 0.00 175.29 174.75 2kb3 n PRO 66 N 2.08 0.19 -3.69 9.60 -0.02 -1.26 -4.67 135.00 137.23 2kb3 n PRO 66 Ca -0.19 0.37 -0.19 0.00 -2.02 0.00 0.00 63.50 61.47 2kb3 n PRO 66 Cb 0.56 -1.83 -0.17 0.00 -0.02 0.00 0.00 33.50 32.03 2kb3 n PRO 66 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2kb3 s THR 67 N -3.25 -0.10 -0.01 3.45 2.01 -1.26 -0.53 115.64 115.94 2kb3 s THR 67 Ca 0.06 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.47 2kb3 s THR 67 Cb 0.10 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.46 2kb3 s THR 67 CO 0.43 0.16 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.51 2kb3 s THR 68 N 1.92 0.92 -0.02 -0.82 2.01 0.92 -4.82 115.64 115.75 2kb3 s THR 68 Ca 0.02 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.61 2kb3 s THR 68 Cb -0.12 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2kb3 s THR 68 CO -0.03 0.26 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.03 2kb3 s THR 69 N -0.18 1.89 -0.07 -0.82 2.01 -1.25 0.20 115.64 117.42 2kb3 s THR 69 Ca 0.03 -1.03 0.05 0.00 0.31 0.00 0.00 61.69 61.05 2kb3 s THR 69 Cb -0.05 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 2kb3 s THR 69 CO -0.00 0.53 -0.23 0.00 -0.69 0.00 0.00 174.62 174.23 2kb3 s ALA 70 N -0.57 2.27 0.00 7.40 0.00 0.77 -1.05 121.76 130.58 2kb3 s ALA 70 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2kb3 s ALA 70 Cb -0.09 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2kb3 s ALA 70 CO -0.01 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2kb3 n GLY 71 N 2.95 -0.61 3.87 0.00 0.00 -0.96 -1.33 105.19 109.10 2kb3 n GLY 71 Ca -0.18 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.53 3.86 0.00 1.61 3.52 -0.36 -1.71 118.95 125.34 2kb3 s ARG 72 Ca 0.00 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 2kb3 s ARG 72 Cb 0.00 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 2kb3 s ARG 72 CO 0.00 0.23 0.00 0.72 -0.81 0.00 0.00 175.30 175.44 2kb3 n HIS 73 N -0.35 0.00 1.13 5.12 8.25 -1.26 -4.23 115.22 123.88 2kb3 n HIS 73 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.56 2kb3 n HIS 73 Cb 0.53 -0.46 0.49 0.00 1.12 0.00 0.00 29.99 31.67 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 -1.24 0.56 0.17 -0.41 -0.02 -1.26 -1.35 135.00 131.46 2kb3 n PRO 74 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.52 2kb3 n PRO 74 Cb 0.00 -1.46 0.26 0.00 -0.02 0.00 0.00 33.50 32.28 2kb3 n PRO 74 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2kb3 h GLU 75 N 0.00 0.00 -6.30 -0.52 4.81 -1.95 -3.42 114.58 107.20 2kb3 h GLU 75 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 2kb3 h GLU 75 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2kb3 h GLU 75 CO 0.00 0.45 0.11 -1.12 -0.73 0.00 0.00 179.01 177.72 2kb3 s SER 76 N -6.49 7.19 0.19 1.04 0.01 -0.46 -3.17 113.70 112.01 2kb3 s SER 76 Ca 0.01 1.42 -0.12 0.00 1.31 0.00 0.00 55.95 58.57 2kb3 s SER 76 Cb 0.11 -2.44 0.20 0.00 0.21 0.00 0.00 66.02 64.09 2kb3 s SER 76 CO 0.71 0.10 1.74 -0.78 0.41 0.00 0.00 173.24 175.42 2kb3 h ASP 77 N 5.24 0.17 -3.53 2.44 3.58 0.18 -3.30 116.42 121.20 2kb3 h ASP 77 Ca -0.45 0.07 -0.72 0.00 0.42 0.00 0.00 57.03 56.35 2kb3 h ASP 77 Cb 1.21 0.06 -0.23 0.00 1.72 0.00 0.00 39.33 42.08 2kb3 h ASP 77 CO 0.69 0.12 -0.47 -0.63 -2.88 0.00 0.00 179.24 176.07 2kb3 s ILE 78 N -6.12 4.84 -0.34 2.25 -1.09 -0.22 -4.75 121.20 115.78 2kb3 s ILE 78 Ca -0.13 -0.84 -0.23 0.00 -2.23 0.00 0.00 60.65 57.22 2kb3 s ILE 78 Cb 0.15 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2kb3 s ILE 78 CO 0.73 -0.31 0.76 0.12 -1.23 0.00 0.00 174.94 175.02 2kb3 s PHE 79 N 1.60 3.16 -0.08 3.97 5.36 -1.24 -2.26 117.98 128.47 2kb3 s PHE 79 Ca 0.03 0.64 0.02 0.00 -0.96 0.00 0.00 56.93 56.66 2kb3 s PHE 79 Cb -0.20 -3.27 0.01 0.00 -0.34 0.00 0.00 43.02 39.22 2kb3 s PHE 79 CO 0.08 -0.64 -0.13 -0.51 -1.46 0.00 0.00 175.22 172.55 2kb3 s LEU 80 N 2.97 1.65 -0.25 6.12 1.43 -0.69 -4.99 118.68 124.92 2kb3 s LEU 80 Ca 0.31 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2kb3 s LEU 80 Cb -0.14 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.14 2kb3 s LEU 80 CO 0.15 0.02 0.01 -0.62 0.23 0.00 0.00 176.35 176.14 2kb3 s ASP 81 N 0.82 4.71 0.13 2.29 2.15 -1.26 -3.88 116.67 121.64 2kb3 s ASP 81 Ca -0.11 -0.50 -0.12 0.00 0.43 0.00 0.00 52.55 52.24 2kb3 s ASP 81 Cb -0.15 -1.81 0.01 0.00 -0.30 0.00 0.00 42.92 40.67 2kb3 s ASP 81 CO 0.02 -0.09 0.32 -0.62 -0.17 0.00 0.00 175.17 174.63 2kb3 s ASP 82 N 1.49 -0.06 0.15 -0.34 -1.08 -1.26 -4.67 116.67 110.90 2kb3 s ASP 82 Ca 0.04 -0.56 -0.10 0.00 -0.52 0.00 0.00 52.55 51.42 2kb3 s ASP 82 Cb -0.16 0.43 -0.02 0.00 -1.46 0.00 0.00 42.92 41.72 2kb3 s ASP 82 CO -0.00 -0.84 1.47 0.58 0.52 0.00 0.00 175.17 176.90 2kb3 h VAL 83 N 2.52 1.28 -0.52 1.11 2.07 -2.03 -3.27 116.25 117.40 2kb3 h VAL 83 Ca -0.33 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2kb3 h VAL 83 Cb 1.23 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2kb3 h VAL 83 CO 0.49 0.54 0.00 0.41 0.02 0.00 0.00 177.57 179.03 2kb3 n THR 84 N -4.03 0.74 -2.94 2.57 -1.04 -1.26 -4.82 114.28 103.49 2kb3 n THR 84 Ca -0.03 -0.87 -0.41 0.00 -2.04 0.00 0.00 64.05 60.70 2kb3 n THR 84 Cb 0.57 0.76 -0.05 0.00 -1.82 0.00 0.00 70.33 69.79 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 -1.23 4.89 0.00 12.58 1.01 -1.24 -4.93 120.40 131.48 2kb3 s VAL 85 Ca 0.41 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.87 2kb3 s VAL 85 Cb 0.23 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2kb3 s VAL 85 CO 0.31 -0.02 0.00 -1.20 0.00 0.00 0.00 175.10 174.19 2kb3 n SER 86 N 5.70 0.00 0.29 3.32 7.64 -1.26 -4.41 113.62 124.90 2kb3 n SER 86 Ca 0.04 -0.45 0.18 0.00 1.01 0.00 0.00 58.87 59.64 2kb3 n SER 86 Cb 0.48 0.00 0.89 0.00 -1.01 0.00 0.00 64.21 64.58 2kb3 n SER 86 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2kb3 h ARG 87 N 0.00 0.00 -0.80 1.43 0.11 -1.96 -0.95 114.38 112.21 2kb3 h ARG 87 Ca 0.00 0.00 0.19 0.00 0.10 0.00 0.00 59.98 60.27 2kb3 h ARG 87 Cb 0.00 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 30.85 2kb3 h ARG 87 CO 0.00 0.00 0.16 -0.98 0.10 0.00 0.00 179.97 179.25 2kb3 s ARG 88 N -4.23 0.28 -0.25 0.08 1.70 -1.26 -4.70 118.95 110.56 2kb3 s ARG 88 Ca -0.04 0.63 -0.14 0.00 -0.47 0.00 0.00 55.73 55.71 2kb3 s ARG 88 Cb 0.11 0.37 -0.11 0.00 -0.57 0.00 0.00 34.95 34.76 2kb3 s ARG 88 CO 0.37 -0.17 -0.35 1.58 -1.08 0.00 0.00 175.30 175.64 2kb3 n HIS 89 N 5.14 0.00 -3.80 5.89 -0.00 -0.44 -4.07 115.22 117.94 2kb3 n HIS 89 Ca -0.08 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.01 2kb3 n HIS 89 Cb 0.53 -0.88 -0.06 0.00 -0.12 0.00 0.00 29.99 29.45 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 -0.42 0.05 1.57 0.00 -1.07 -0.21 121.76 119.10 2kb3 s ALA 90 Ca -0.36 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2kb3 s ALA 90 Cb 0.13 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 2kb3 s ALA 90 CO 0.47 -0.55 -0.10 -1.83 0.00 0.00 0.00 175.76 173.75 2kb3 s GLU 91 N -3.85 0.62 -0.28 0.00 -1.05 0.41 -0.16 118.70 114.40 2kb3 s GLU 91 Ca 0.05 -0.80 -0.04 0.00 -0.15 0.00 0.00 54.97 54.03 2kb3 s GLU 91 Cb 0.04 -0.46 0.03 0.00 -0.44 0.00 0.00 34.13 33.29 2kb3 s GLU 91 CO -0.11 0.09 0.00 -0.06 0.95 0.00 0.00 175.26 176.14 2kb3 s PHE 92 N -1.30 3.14 -0.14 4.83 0.40 0.13 -0.14 117.98 124.89 2kb3 s PHE 92 Ca -0.07 -1.43 -0.03 0.00 -0.60 0.00 0.00 56.93 54.80 2kb3 s PHE 92 Cb -0.10 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 2kb3 s PHE 92 CO 0.01 -0.70 -0.03 1.03 0.70 0.00 0.00 175.22 176.23 2kb3 s ARG 93 N 1.37 3.53 -0.25 0.44 0.52 0.35 -0.06 118.95 124.85 2kb3 s ARG 93 Ca -0.00 -0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 54.63 2kb3 s ARG 93 Cb -0.18 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 2kb3 s ARG 93 CO -0.01 0.33 0.06 0.42 0.02 0.00 0.00 175.30 176.12 2kb3 s ILE 94 N 0.12 4.27 -0.03 1.52 1.09 0.31 -0.99 121.20 127.49 2kb3 s ILE 94 Ca -0.01 -0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.36 2kb3 s ILE 94 Cb -0.14 -3.00 0.03 0.00 -1.06 0.00 0.00 42.46 38.30 2kb3 s ILE 94 CO 0.03 0.34 0.00 0.54 -0.10 0.00 0.00 174.94 175.75 2kb3 s ASN 95 N 1.60 0.36 -1.44 3.58 4.22 0.32 -4.75 114.94 118.83 2kb3 s ASN 95 Ca 0.06 -0.02 -0.07 0.00 -2.14 0.00 0.00 52.86 50.69 2kb3 s ASN 95 Cb -0.15 -0.20 0.04 0.00 1.28 0.00 0.00 41.25 42.22 2kb3 s ASN 95 CO 0.03 -0.10 0.60 -0.62 -2.04 0.00 0.00 177.10 174.97 2kb3 n GLU 96 N 4.13 -4.46 -0.87 3.55 4.71 -1.26 -0.56 120.64 125.88 2kb3 n GLU 96 Ca -0.27 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 2kb3 n GLU 96 Cb 0.50 -5.53 0.00 0.00 -1.01 0.00 0.00 31.44 25.41 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kb3 n GLY 97 N -1.41 1.22 3.87 0.62 0.00 -1.26 -5.02 105.19 103.21 2kb3 n GLY 97 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.01 3.40 -0.27 1.61 0.41 0.27 -5.07 118.70 119.03 2kb3 s GLU 98 Ca 0.00 -0.20 -0.07 0.00 -0.41 0.00 0.00 54.97 54.28 2kb3 s GLU 98 Cb 0.00 -3.13 -0.01 0.00 -1.78 0.00 0.00 34.13 29.20 2kb3 s GLU 98 CO 0.00 0.75 0.08 -0.06 -0.49 0.00 0.00 175.26 175.54 2kb3 s PHE 99 N -1.09 3.11 0.01 1.61 0.40 -1.26 -0.52 117.98 120.23 2kb3 s PHE 99 Ca 0.18 -0.63 0.07 0.00 -0.60 0.00 0.00 56.93 55.95 2kb3 s PHE 99 Cb -0.12 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.13 2kb3 s PHE 99 CO 0.08 -0.45 -0.22 -1.83 0.70 0.00 0.00 175.22 173.49 2kb3 s GLU 100 N 1.57 1.69 -0.22 0.44 -1.05 -0.16 -0.13 118.70 120.83 2kb3 s GLU 100 Ca 0.05 -0.87 -0.08 0.00 -0.15 0.00 0.00 54.97 53.92 2kb3 s GLU 100 Cb -0.16 -1.71 -0.04 0.00 -0.44 0.00 0.00 34.13 31.79 2kb3 s GLU 100 CO 0.03 0.46 0.08 0.08 0.95 0.00 0.00 175.26 176.86 2kb3 s VAL 101 N -0.63 4.69 -0.17 1.83 1.01 0.87 -0.50 120.40 127.50 2kb3 s VAL 101 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2kb3 s VAL 101 Cb -0.09 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2kb3 s VAL 101 CO 0.00 0.38 -0.15 -0.69 0.00 0.00 0.00 175.10 174.64 2kb3 s VAL 102 N 1.03 2.58 -0.06 2.92 1.01 0.80 -0.45 120.40 128.23 2kb3 s VAL 102 Ca 0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 2kb3 s VAL 102 Cb -0.14 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2kb3 s VAL 102 CO 0.03 0.51 0.95 -1.81 0.00 0.00 0.00 175.10 174.79 2kb3 s ASP 103 N 1.02 7.25 -0.01 3.32 1.11 -0.40 -0.44 116.67 128.52 2kb3 s ASP 103 Ca -0.01 1.52 0.08 0.00 0.18 0.00 0.00 52.55 54.32 2kb3 s ASP 103 Cb -0.15 -2.54 -0.11 0.00 1.07 0.00 0.00 42.92 41.20 2kb3 s ASP 103 CO -0.04 -0.33 0.24 1.33 1.18 0.00 0.00 175.17 177.55 2kb3 n VAL 104 N 4.22 0.00 -2.87 -1.27 0.24 -0.42 -4.61 118.33 113.62 2kb3 n VAL 104 Ca 0.06 -0.24 -0.25 0.00 -2.04 0.00 0.00 64.34 61.87 2kb3 n VAL 104 Cb 0.50 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.43 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 1.70 5.36 0.00 7.63 0.00 0.71 -4.87 105.19 115.71 2kb3 n GLY 105 Ca -0.00 -2.62 0.04 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.23 0.00 0.22 1.61 7.64 -1.26 -1.98 113.62 119.62 2kb3 n SER 106 Ca 0.31 -0.71 0.11 0.00 1.01 0.00 0.00 58.87 59.60 2kb3 n SER 106 Cb 0.48 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.94 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 4.07 -1.95 -3.07 115.31 110.93 2kb3 h LEU 107 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kb3 h LEU 107 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2kb3 h LEU 107 CO 0.00 0.08 -0.78 0.78 -1.08 0.00 0.00 178.44 177.45 2kb3 h ASN 108 N 0.00 0.00 -4.06 -0.43 4.21 -1.70 -3.39 115.58 110.21 2kb3 h ASN 108 Ca -0.00 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2kb3 h ASN 108 Cb 0.96 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.16 2kb3 h ASN 108 CO 0.01 0.00 -0.04 0.61 -1.29 0.00 0.00 177.43 176.73 2kb3 n GLY 109 N 1.17 -0.76 3.72 2.83 0.00 -1.16 -4.85 105.19 106.13 2kb3 n GLY 109 Ca 0.01 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.78 3.38 -0.19 2.61 2.01 -1.26 -4.86 115.64 114.54 2kb3 s THR 110 Ca 0.02 1.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.97 2kb3 s THR 110 Cb -0.01 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2kb3 s THR 110 CO 0.34 0.08 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.03 2kb3 s TYR 111 N 1.03 3.03 -0.25 4.92 2.02 -0.74 -1.62 117.35 125.73 2kb3 s TYR 111 Ca 0.63 -0.44 -0.05 0.00 -0.37 0.00 0.00 57.07 56.85 2kb3 s TYR 111 Cb -0.36 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.15 2kb3 s TYR 111 CO 0.31 -0.20 0.00 0.08 -1.57 0.00 0.00 175.55 174.17 2kb3 s VAL 112 N 0.84 3.53 -1.46 0.71 1.01 0.10 0.22 120.40 125.36 2kb3 s VAL 112 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 2kb3 s VAL 112 Cb -0.14 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.57 2kb3 s VAL 112 CO 0.02 0.25 1.05 -3.20 0.00 0.00 0.00 175.10 173.22 2kb3 n ASN 113 N 4.80 -5.21 0.00 3.32 2.85 -0.14 -1.56 115.26 119.31 2kb3 n ASN 113 Ca -0.16 -0.69 0.00 0.00 -0.11 0.00 0.00 54.58 53.62 2kb3 n ASN 113 Cb 0.49 -4.34 0.00 0.00 1.24 0.00 0.00 39.78 37.17 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 -4.78 -0.60 -4.97 1.20 5.12 -1.26 -5.03 116.66 106.34 2kb3 n ARG 114 Ca 0.01 0.15 -0.32 0.00 -1.93 0.00 0.00 57.85 55.76 2kb3 n ARG 114 Cb 0.55 -3.68 -0.14 0.00 -1.16 0.00 0.00 32.46 28.02 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kb3 s GLU 115 N -0.71 2.75 0.56 5.56 0.41 -0.60 -4.93 118.70 121.74 2kb3 s GLU 115 Ca 0.00 -0.76 -0.20 0.00 -0.41 0.00 0.00 54.97 53.60 2kb3 s GLU 115 Cb 0.00 -2.38 -0.04 0.00 -1.78 0.00 0.00 34.13 29.93 2kb3 s GLU 115 CO 0.00 0.44 1.27 -1.25 -0.49 0.00 0.00 175.26 175.23 2kb3 s PRO 116 N -0.28 3.10 0.28 0.39 0.04 -1.25 0.03 135.00 137.31 2kb3 s PRO 116 Ca 0.01 2.01 0.11 0.00 0.04 0.00 0.00 61.00 63.17 2kb3 s PRO 116 Cb -0.13 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 2kb3 s PRO 116 CO 0.03 -1.15 -0.17 1.03 0.04 0.00 0.00 177.00 176.78 2kb3 s ARG 117 N -3.07 1.63 -0.04 4.56 1.81 -0.64 -4.84 118.95 118.35 2kb3 s ARG 117 Ca 0.74 -1.76 -0.03 0.00 -1.72 0.00 0.00 55.73 52.96 2kb3 s ARG 117 Cb -0.35 -1.60 -0.02 0.00 -0.45 0.00 0.00 34.95 32.52 2kb3 s ARG 117 CO 0.40 0.26 -0.08 0.09 -0.68 0.00 0.00 175.30 175.29 2kb3 n ASN 118 N -0.60 0.57 -3.64 0.23 4.13 -1.26 -4.76 115.26 109.93 2kb3 n ASN 118 Ca -0.06 0.09 -0.09 0.00 1.68 0.00 0.00 54.58 56.20 2kb3 n ASN 118 Cb 0.61 -0.22 -0.07 0.00 -1.54 0.00 0.00 39.78 38.56 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 -2.12 -1.93 -0.10 5.41 0.00 -1.26 -1.28 121.76 120.49 2kb3 s ALA 119 Ca -0.08 2.14 -0.19 0.00 0.00 0.00 0.00 51.96 53.82 2kb3 s ALA 119 Cb 0.03 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.80 2kb3 s ALA 119 CO 0.10 -0.33 0.47 -1.14 0.00 0.00 0.00 175.76 174.86 2kb3 s GLN 120 N 0.85 0.71 -0.17 0.00 0.74 0.40 -5.00 119.66 117.19 2kb3 s GLN 120 Ca -0.03 0.30 -0.22 0.00 0.05 0.00 0.00 55.36 55.46 2kb3 s GLN 120 Cb -0.05 0.33 -0.03 0.00 1.10 0.00 0.00 33.01 34.37 2kb3 s GLN 120 CO -0.09 -0.16 0.66 0.08 -0.55 0.00 0.00 175.29 175.22 2kb3 s VAL 121 N -0.58 5.02 -0.02 1.34 1.01 -1.26 -0.09 120.40 125.82 2kb3 s VAL 121 Ca -0.07 1.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.98 2kb3 s VAL 121 Cb -0.03 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2kb3 s VAL 121 CO 0.04 0.13 0.57 -0.32 0.00 0.00 0.00 175.10 175.52 2kb3 s MET 122 N 1.71 4.30 -0.07 2.72 1.75 0.81 -4.95 119.30 125.56 2kb3 s MET 122 Ca 0.31 0.68 -0.03 0.00 -1.25 0.00 0.00 55.69 55.39 2kb3 s MET 122 Cb -0.16 -3.35 -0.04 0.00 2.84 0.00 0.00 34.83 34.12 2kb3 s MET 122 CO 0.12 0.35 0.08 1.14 -0.65 0.00 0.00 175.02 176.05 2kb3 s GLN 123 N -0.11 3.17 0.20 4.11 -2.07 -1.26 -4.67 119.66 119.03 2kb3 s GLN 123 Ca 0.30 -0.33 -0.32 0.00 -1.82 0.00 0.00 55.36 53.19 2kb3 s GLN 123 Cb -0.18 -2.95 -0.11 0.00 -1.09 0.00 0.00 33.01 28.68 2kb3 s GLN 123 CO 0.16 0.71 1.67 -0.08 -1.32 0.00 0.00 175.29 176.44 2kb3 s THR 124 N -1.03 2.20 0.00 3.63 -1.32 -1.26 -2.71 115.64 115.14 2kb3 s THR 124 Ca 0.17 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 2kb3 s THR 124 Cb -0.12 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.78 2kb3 s THR 124 CO 0.07 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 2kb3 n GLY 125 N 3.84 0.32 3.89 6.08 0.00 0.16 -4.86 105.19 114.62 2kb3 n GLY 125 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.58 6.49 -0.12 1.61 -1.08 -1.10 -4.85 116.67 115.04 2kb3 s ASP 126 Ca 0.00 0.94 -0.01 0.00 -0.52 0.00 0.00 52.55 52.96 2kb3 s ASP 126 Cb 0.00 -2.24 -0.03 0.00 -1.46 0.00 0.00 42.92 39.19 2kb3 s ASP 126 CO 0.00 -0.31 -0.07 -1.83 0.52 0.00 0.00 175.17 173.48 2kb3 s GLU 127 N -3.71 3.25 -0.18 4.34 -1.05 -1.26 -1.48 118.70 118.60 2kb3 s GLU 127 Ca 0.48 -0.57 -0.02 0.00 -0.15 0.00 0.00 54.97 54.71 2kb3 s GLU 127 Cb -0.10 -2.72 -0.01 0.00 -0.44 0.00 0.00 34.13 30.86 2kb3 s GLU 127 CO 0.31 0.40 -0.09 0.42 0.95 0.00 0.00 175.26 177.24 2kb3 s ILE 128 N -0.09 3.10 -0.33 1.83 -1.09 0.83 -0.97 121.20 124.47 2kb3 s ILE 128 Ca 0.01 -0.61 -0.10 0.00 -2.23 0.00 0.00 60.65 57.72 2kb3 s ILE 128 Cb -0.13 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.39 2kb3 s ILE 128 CO 0.03 0.48 0.17 -1.10 -1.23 0.00 0.00 174.94 173.28 2kb3 s GLN 129 N 1.04 3.11 -0.20 2.79 -0.21 0.13 0.19 119.66 126.52 2kb3 s GLN 129 Ca -0.00 -0.88 -0.04 0.00 0.02 0.00 0.00 55.36 54.46 2kb3 s GLN 129 Cb -0.15 -3.62 -0.02 0.00 1.00 0.00 0.00 33.01 30.23 2kb3 s GLN 129 CO -0.01 -0.53 -0.02 0.42 -2.12 0.00 0.00 175.29 173.02 2kb3 s ILE 130 N 1.58 3.76 0.00 1.08 1.01 -0.42 -1.79 121.20 126.43 2kb3 s ILE 130 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2kb3 s ILE 130 Cb -0.18 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2kb3 s ILE 130 CO 0.06 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2kb3 n GLY 131 N 4.27 2.28 0.70 6.18 0.00 -1.26 -2.53 105.19 114.82 2kb3 n GLY 131 Ca -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.11 1.61 2.85 -1.26 -4.86 118.16 112.39 2kb3 n LYS 132 Ca 0.00 -0.48 -0.09 0.00 -1.05 0.00 0.00 58.31 56.69 2kb3 n LYS 132 Cb 0.00 0.30 -0.10 0.00 -0.65 0.00 0.00 35.03 34.58 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 0.00 0.72 0.02 5.58 -0.71 -1.05 -4.28 117.98 118.27 2kb3 s PHE 133 Ca 0.00 -1.13 0.05 0.00 -1.04 0.00 0.00 56.93 54.81 2kb3 s PHE 133 Cb 0.00 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.37 2kb3 s PHE 133 CO 0.00 -0.51 -0.10 -0.98 -1.34 0.00 0.00 175.22 172.29 2kb3 s ARG 134 N -4.01 2.39 -0.01 1.99 1.70 -1.17 -1.30 118.95 118.54 2kb3 s ARG 134 Ca 0.19 -0.81 0.07 0.00 -0.47 0.00 0.00 55.73 54.71 2kb3 s ARG 134 Cb 0.07 -2.40 -0.02 0.00 -0.57 0.00 0.00 34.95 32.03 2kb3 s ARG 134 CO -0.01 0.58 -0.24 -0.51 -1.08 0.00 0.00 175.30 174.03 2kb3 s LEU 135 N -1.47 2.18 -0.19 -1.89 1.43 0.13 -0.86 118.68 118.01 2kb3 s LEU 135 Ca 0.17 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2kb3 s LEU 135 Cb -0.11 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2kb3 s LEU 135 CO 0.07 0.31 -0.05 -0.69 0.23 0.00 0.00 176.35 176.22 2kb3 s VAL 136 N -0.66 3.50 -0.33 -1.59 1.01 0.85 -0.12 120.40 123.05 2kb3 s VAL 136 Ca 0.11 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 2kb3 s VAL 136 Cb -0.10 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2kb3 s VAL 136 CO -0.00 0.46 0.59 0.12 0.00 0.00 0.00 175.10 176.27 2kb3 s PHE 137 N 0.95 3.19 -0.05 5.22 5.36 -0.55 -1.04 117.98 131.05 2kb3 s PHE 137 Ca -0.00 0.41 0.03 0.00 -0.96 0.00 0.00 56.93 56.40 2kb3 s PHE 137 Cb -0.15 -3.01 0.01 0.00 -0.34 0.00 0.00 43.02 39.53 2kb3 s PHE 137 CO 0.01 -0.53 -0.13 -1.17 -1.46 0.00 0.00 175.22 171.94 2kb3 s LEU 138 N 2.57 1.74 -0.28 6.12 1.98 0.48 0.39 118.68 131.68 2kb3 s LEU 138 Ca 0.23 -0.29 -0.20 0.00 -2.89 0.00 0.00 54.13 50.98 2kb3 s LEU 138 Cb -0.15 -0.82 -0.01 0.00 0.66 0.00 0.00 46.19 45.87 2kb3 s LEU 138 CO 0.13 0.07 0.62 0.00 -1.89 0.00 0.00 176.35 175.28 2kb3 s ALA 139 N 0.41 3.57 0.00 5.97 0.00 -1.26 -0.25 121.76 130.20 2kb3 s ALA 139 Ca -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2kb3 s ALA 139 Cb -0.13 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2kb3 s ALA 139 CO 0.03 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2kb3 n GLY 140 N 4.30 0.50 3.76 0.00 0.00 0.22 -4.30 105.19 109.67 2kb3 n GLY 140 Ca -0.01 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 2kb3 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb3 s PRO 141 N 0.00 1.95 -0.08 1.61 0.02 -1.26 -4.91 135.00 132.33 2kb3 s PRO 141 Ca 0.00 0.90 -0.05 0.00 0.02 0.00 0.00 61.00 61.87 2kb3 s PRO 141 Cb 0.00 -1.88 -0.16 0.00 0.02 0.00 0.00 34.50 32.47 2kb3 s PRO 141 CO 0.00 -1.78 3.22 0.00 -0.33 0.00 0.00 177.00 178.11 2kb3 n ALA 142 N -3.58 6.03 1.82 -1.55 0.00 -1.26 -4.86 120.51 117.11 2kb3 n ALA 142 Ca 0.08 -1.78 0.15 0.00 0.00 0.00 0.00 53.44 51.89 2kb3 n ALA 142 Cb 0.55 -2.08 0.79 0.00 0.00 0.00 0.00 19.45 18.71 2kb3 n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89