#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.11 -4.05 7.83 0.87 -2.13 -3.44 113.55 112.74 2kb4 h SER 2 Ca 0.00 -0.14 -0.49 0.00 -1.23 0.00 0.00 61.79 59.93 2kb4 h SER 2 Cb 0.00 -0.04 0.05 0.00 -0.44 0.00 0.00 62.40 61.98 2kb4 h SER 2 CO 0.00 1.11 0.43 1.51 -0.53 0.00 0.00 176.83 179.36 2kb4 s ASP 3 N -6.71 6.07 -0.18 6.23 -4.77 -1.26 -5.01 116.67 111.05 2kb4 s ASP 3 Ca -0.02 2.14 -0.16 0.00 -3.30 0.00 0.00 52.55 51.21 2kb4 s ASP 3 Cb 0.09 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.30 2kb4 s ASP 3 CO 0.83 -0.97 0.41 0.54 0.70 0.00 0.00 175.17 176.68 2kb4 s ASN 4 N -1.69 6.50 0.19 2.11 4.22 -1.26 -5.05 114.94 119.95 2kb4 s ASN 4 Ca 0.68 0.59 -0.10 0.00 -2.14 0.00 0.00 52.86 51.89 2kb4 s ASN 4 Cb -0.23 -2.24 -0.01 0.00 1.28 0.00 0.00 41.25 40.05 2kb4 s ASN 4 CO 0.27 -0.04 0.32 0.54 -2.04 0.00 0.00 177.10 176.16 2kb4 s ASN 5 N 0.86 0.01 0.00 3.54 2.20 -1.26 -5.02 114.94 115.27 2kb4 s ASN 5 Ca 0.20 -0.90 0.00 0.00 -0.94 0.00 0.00 52.86 51.22 2kb4 s ASN 5 Cb -0.15 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.57 2kb4 s ASN 5 CO 0.08 -0.95 0.00 0.61 -2.94 0.00 0.00 177.10 173.90 2kb4 n GLY 6 N -0.26 0.07 3.67 0.45 0.00 -1.26 -5.07 105.19 102.79 2kb4 n GLY 6 Ca -0.06 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 2kb4 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb4 s THR 7 N -2.00 5.13 0.15 2.61 -4.23 -1.26 -5.03 115.64 111.01 2kb4 s THR 7 Ca 0.00 0.91 -0.31 0.00 -1.18 0.00 0.00 61.69 61.10 2kb4 s THR 7 Cb 0.00 -3.82 -0.10 0.00 1.34 0.00 0.00 72.50 69.92 2kb4 s THR 7 CO 0.00 0.20 1.61 -2.16 -0.54 0.00 0.00 174.62 173.73 2kb4 s PRO 8 N 1.53 4.20 -0.05 3.99 0.04 -1.26 -4.97 135.00 138.48 2kb4 s PRO 8 Ca 0.23 2.39 -0.24 0.00 0.04 0.00 0.00 61.00 63.43 2kb4 s PRO 8 Cb -0.15 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2kb4 s PRO 8 CO 0.09 -0.65 0.71 -1.83 0.04 0.00 0.00 177.00 175.36 2kb4 s GLU 9 N 1.48 4.44 0.48 4.56 -1.05 -1.26 -5.03 118.70 122.31 2kb4 s GLU 9 Ca 0.72 0.90 -0.23 0.00 -0.15 0.00 0.00 54.97 56.20 2kb4 s GLU 9 Cb -0.44 -3.44 -0.07 0.00 -0.44 0.00 0.00 34.13 29.75 2kb4 s GLU 9 CO 0.32 0.09 1.28 -1.25 0.95 0.00 0.00 175.26 176.65 2kb4 s PRO 10 N 0.70 3.58 0.15 -4.83 0.04 -1.26 -4.92 135.00 128.46 2kb4 s PRO 10 Ca 0.38 2.06 -0.33 0.00 0.04 0.00 0.00 61.00 63.15 2kb4 s PRO 10 Cb -0.18 -2.45 -0.12 0.00 0.04 0.00 0.00 34.50 31.79 2kb4 s PRO 10 CO 0.19 -0.78 1.70 1.04 0.04 0.00 0.00 177.00 179.19 2kb4 n GLN 11 N -0.52 2.51 -1.91 4.56 1.13 -1.26 -4.86 117.38 117.02 2kb4 n GLN 11 Ca 0.07 0.91 -0.37 0.00 -1.94 0.00 0.00 57.00 55.67 2kb4 n GLN 11 Cb 0.46 -2.73 -0.04 0.00 0.11 0.00 0.00 30.24 28.03 2kb4 n GLN 11 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2kb4 n VAL 12 N 3.99 2.55 -3.09 5.09 0.24 -1.26 -4.91 118.33 120.93 2kb4 n VAL 12 Ca 0.17 -2.50 -0.40 0.00 -2.04 0.00 0.00 64.34 59.57 2kb4 n VAL 12 Cb 0.33 -2.30 -0.06 0.00 -1.47 0.00 0.00 33.84 30.34 2kb4 n VAL 12 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kb4 s GLU 13 N 5.19 4.19 -0.37 7.34 2.12 -1.26 -4.98 118.70 130.93 2kb4 s GLU 13 Ca 0.60 0.64 0.02 0.00 0.36 0.00 0.00 54.97 56.59 2kb4 s GLU 13 Cb 0.06 -3.60 0.15 0.00 0.26 0.00 0.00 34.13 31.01 2kb4 s GLU 13 CO 0.09 -0.29 0.33 -0.08 -0.54 0.00 0.00 175.26 174.77 2kb4 s THR 14 N 2.09 -0.16 -0.51 -1.70 -1.32 -1.26 -5.09 115.64 107.68 2kb4 s THR 14 Ca 0.29 -1.32 -0.20 0.00 -1.21 0.00 0.00 61.69 59.25 2kb4 s THR 14 Cb -0.16 -0.82 0.05 0.00 -1.51 0.00 0.00 72.50 70.06 2kb4 s THR 14 CO 0.10 -0.74 0.69 -0.89 -2.21 0.00 0.00 174.62 171.57 2kb4 s THR 15 N 1.21 4.77 -0.28 5.08 2.01 -1.26 -5.01 115.64 122.17 2kb4 s THR 15 Ca 0.19 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.59 2kb4 s THR 15 Cb -0.17 -4.34 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 2kb4 s THR 15 CO -0.02 -0.85 1.50 -0.44 -0.69 0.00 0.00 174.62 174.11 2kb4 s SER 16 N 2.68 6.44 0.21 3.53 0.01 -1.26 -4.97 113.70 120.35 2kb4 s SER 16 Ca 0.19 1.36 -0.30 0.00 1.31 0.00 0.00 55.95 58.50 2kb4 s SER 16 Cb -0.18 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.42 2kb4 s SER 16 CO 0.14 -1.25 1.46 0.68 0.41 0.00 0.00 173.24 174.67 2kb4 s VAL 17 N 5.06 2.74 -0.10 3.43 -7.23 -1.26 -4.97 120.40 118.07 2kb4 s VAL 17 Ca 0.66 0.59 -0.22 0.00 -1.81 0.00 0.00 61.98 61.20 2kb4 s VAL 17 Cb -0.20 -3.38 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 2kb4 s VAL 17 CO 0.28 0.08 0.63 0.12 -0.31 0.00 0.00 175.10 175.90 2kb4 s PHE 18 N 0.36 3.54 0.16 2.82 5.36 -1.26 -5.05 117.98 123.90 2kb4 s PHE 18 Ca 0.62 1.11 -0.16 0.00 -0.96 0.00 0.00 56.93 57.55 2kb4 s PHE 18 Cb -0.41 -2.73 -0.07 0.00 -0.34 0.00 0.00 43.02 39.46 2kb4 s PHE 18 CO 0.39 0.08 0.59 1.03 -1.46 0.00 0.00 175.22 175.85 2kb4 s ARG 19 N 0.88 4.05 0.00 10.12 1.81 -1.26 -4.96 118.95 129.59 2kb4 s ARG 19 Ca 0.33 0.59 0.00 0.00 -1.72 0.00 0.00 55.73 54.93 2kb4 s ARG 19 Cb -0.17 -2.92 0.00 0.00 -0.45 0.00 0.00 34.95 31.41 2kb4 s ARG 19 CO 0.15 0.46 0.61 0.00 -0.68 0.00 0.00 175.30 175.84 2kb4 n ALA 20 N 0.80 2.37 0.37 2.13 0.00 -1.26 -2.40 120.51 122.52 2kb4 n ALA 20 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2kb4 n ALA 20 Cb 0.52 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 19.06 2kb4 n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kb4 h ASP 21 N 0.06 0.00 -4.65 0.00 3.32 -2.03 -3.49 116.42 109.64 2kb4 h ASP 21 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2kb4 h ASP 21 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2kb4 h ASP 21 CO 0.00 0.06 -0.10 0.18 -1.72 0.00 0.00 179.24 177.66 2kb4 n LEU 22 N -2.37 -5.61 -4.17 1.55 7.99 -1.01 -5.04 117.00 108.34 2kb4 n LEU 22 Ca 0.02 0.07 -0.34 0.00 -0.01 0.00 0.00 56.01 55.75 2kb4 n LEU 22 Cb 0.49 -2.65 -0.14 0.00 -0.11 0.00 0.00 43.42 41.00 2kb4 n LEU 22 CO 0.38 -1.04 -0.41 -0.22 -1.51 0.00 0.00 177.39 174.59 2kb4 s LEU 23 N -3.04 3.33 -0.50 2.23 0.20 -1.26 -5.07 118.68 114.57 2kb4 s LEU 23 Ca 0.05 -1.04 -0.13 0.00 0.69 0.00 0.00 54.13 53.70 2kb4 s LEU 23 Cb -0.01 -1.65 0.11 0.00 -0.43 0.00 0.00 46.19 44.21 2kb4 s LEU 23 CO 0.53 -0.16 0.41 -1.59 -0.29 0.00 0.00 176.35 175.25 2kb4 s LYS 24 N 1.27 2.81 -0.00 1.98 0.00 -1.26 -4.92 119.74 119.62 2kb4 s LYS 24 Ca -0.02 -1.63 -0.33 0.00 0.00 0.00 0.00 55.97 53.99 2kb4 s LYS 24 Cb -0.18 -4.11 -0.12 0.00 0.00 0.00 0.00 37.83 33.42 2kb4 s LYS 24 CO -0.04 -1.20 1.82 -0.85 0.00 0.00 0.00 175.35 175.09 2kb4 n GLU 25 N 5.12 2.31 0.00 1.78 0.28 -1.26 -4.84 120.64 124.02 2kb4 n GLU 25 Ca -0.12 0.84 0.13 0.00 -0.16 0.00 0.00 57.16 57.86 2kb4 n GLU 25 Cb 0.41 -2.69 0.36 0.00 1.43 0.00 0.00 31.44 30.95 2kb4 n GLU 25 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2kb4 n MET 26 N 5.96 1.60 -2.12 3.44 2.81 -1.26 -4.90 117.12 122.65 2kb4 n MET 26 Ca 0.21 -1.08 -0.37 0.00 -1.81 0.00 0.00 57.70 54.65 2kb4 n MET 26 Cb 0.31 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.36 2kb4 n MET 26 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2kb4 s GLU 27 N -2.14 3.36 1.03 0.03 8.01 -1.26 -4.99 118.70 122.74 2kb4 s GLU 27 Ca 0.31 1.83 -0.13 0.00 0.01 0.00 0.00 54.97 57.00 2kb4 s GLU 27 Cb 0.20 -2.17 0.20 0.00 -4.31 0.00 0.00 34.13 28.06 2kb4 s GLU 27 CO 0.39 -0.89 1.09 0.45 0.01 0.00 0.00 175.26 176.30 2kb4 s SER 28 N -1.44 2.36 0.39 -0.19 0.15 -1.26 -4.95 113.70 108.76 2kb4 s SER 28 Ca 0.71 1.13 -0.26 0.00 0.70 0.00 0.00 55.95 58.22 2kb4 s SER 28 Cb -0.30 -1.78 -0.09 0.00 -1.71 0.00 0.00 66.02 62.14 2kb4 s SER 28 CO 0.35 -3.29 1.27 -0.94 1.20 0.00 0.00 173.24 171.83 2kb4 s SER 29 N -3.46 6.47 -0.17 5.45 1.04 -1.26 -5.02 113.70 116.76 2kb4 s SER 29 Ca 0.66 2.59 -0.02 0.00 0.48 0.00 0.00 55.95 59.65 2kb4 s SER 29 Cb -0.18 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.35 2kb4 s SER 29 CO 0.58 -0.73 0.02 0.28 0.98 0.00 0.00 173.24 174.36 2kb4 s THR 30 N -1.27 0.60 0.00 2.02 -1.32 -1.26 -4.83 115.64 109.58 2kb4 s THR 30 Ca 0.55 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 2kb4 s THR 30 Cb -0.37 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.63 2kb4 s THR 30 CO 0.47 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 2kb4 n GLY 31 N 5.03 3.17 3.81 6.08 0.00 -1.26 -5.07 105.19 116.95 2kb4 n GLY 31 Ca -0.09 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 2kb4 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 32 N 0.00 4.96 -0.30 2.61 2.01 -1.26 -5.05 115.64 118.61 2kb4 s THR 32 Ca 0.00 0.98 -0.21 0.00 0.31 0.00 0.00 61.69 62.77 2kb4 s THR 32 Cb 0.00 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 2kb4 s THR 32 CO 0.00 0.53 0.65 0.00 -0.69 0.00 0.00 174.62 175.11 2kb4 s ALA 33 N -0.81 3.54 -0.02 7.40 0.00 -1.26 -4.93 121.76 125.68 2kb4 s ALA 33 Ca 0.26 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 2kb4 s ALA 33 Cb -0.17 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2kb4 s ALA 33 CO 0.15 -1.06 1.70 -2.14 0.00 0.00 0.00 175.76 174.40 2kb4 s PRO 34 N 2.65 4.18 -0.59 0.00 0.02 -1.26 -4.96 135.00 135.04 2kb4 s PRO 34 Ca 0.26 2.27 -0.20 0.00 0.02 0.00 0.00 61.00 63.36 2kb4 s PRO 34 Cb -0.15 -3.96 0.09 0.00 0.02 0.00 0.00 34.50 30.50 2kb4 s PRO 34 CO 0.12 -0.84 0.75 0.00 -0.33 0.00 0.00 177.00 176.69 2kb4 s ALA 35 N 3.89 3.35 0.30 -1.55 0.00 -1.26 -5.03 121.76 121.47 2kb4 s ALA 35 Ca 0.76 -2.06 0.06 0.00 0.00 0.00 0.00 51.96 50.72 2kb4 s ALA 35 Cb -0.36 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.18 2kb4 s ALA 35 CO 0.32 -2.38 0.38 -1.12 0.00 0.00 0.00 175.76 172.96 2kb4 s SER 36 N 3.48 5.88 0.30 0.00 0.01 -1.26 -5.07 113.70 117.04 2kb4 s SER 36 Ca 0.14 -0.19 -0.09 0.00 1.31 0.00 0.00 55.95 57.13 2kb4 s SER 36 Cb -0.22 -1.35 0.03 0.00 0.21 0.00 0.00 66.02 64.69 2kb4 s SER 36 CO 0.08 -0.29 0.55 1.07 0.41 0.00 0.00 173.24 175.06 2kb4 n THR 37 N -1.49 0.00 -3.59 1.44 5.66 -1.26 -5.13 114.28 109.91 2kb4 n THR 37 Ca -0.03 -0.97 -0.26 0.00 -3.05 0.00 0.00 64.05 59.74 2kb4 n THR 37 Cb 0.58 0.80 -0.16 0.00 -1.55 0.00 0.00 70.33 70.00 2kb4 n THR 37 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2kb4 s GLY 38 N -2.65 0.37 0.17 1.09 0.00 -1.26 -4.84 107.32 100.21 2kb4 s GLY 38 Ca 0.16 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.40 2kb4 s GLY 38 CO 0.11 1.83 1.40 0.00 0.00 0.00 0.00 173.10 176.45 2kb4 h ALA 39 N 8.41 0.55 0.00 3.20 0.00 -1.90 -3.02 119.26 126.50 2kb4 h ALA 39 Ca -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2kb4 h ALA 39 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kb4 h ALA 39 CO 0.33 0.84 0.00 -0.85 0.00 0.00 0.00 179.25 179.57 2kb4 n GLU 40 N -3.74 0.09 0.14 0.00 0.28 -1.26 -2.38 120.64 113.77 2kb4 n GLU 40 Ca -0.04 0.20 0.01 0.00 -0.16 0.00 0.00 57.16 57.17 2kb4 n GLU 40 Cb 0.77 -1.64 0.12 0.00 1.43 0.00 0.00 31.44 32.12 2kb4 n GLU 40 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2kb4 h ASN 41 N 0.00 0.00 -3.03 -1.84 -0.73 -1.94 -3.44 115.58 104.60 2kb4 h ASN 41 Ca 0.00 0.00 -0.64 0.00 1.87 0.00 0.00 56.30 57.53 2kb4 h ASN 41 Cb 0.44 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.96 2kb4 h ASN 41 CO 0.00 0.60 -0.55 -0.76 -0.37 0.00 0.00 177.43 176.35 2kb4 s LEU 42 N -6.92 4.06 0.94 0.34 1.43 -1.00 -5.10 118.68 112.43 2kb4 s LEU 42 Ca 0.01 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 2kb4 s LEU 42 Cb 0.10 -2.54 0.16 0.00 0.03 0.00 0.00 46.19 43.94 2kb4 s LEU 42 CO 0.75 0.22 1.11 -2.84 0.23 0.00 0.00 176.35 175.82 2kb4 s PRO 43 N -2.11 0.86 -0.53 1.29 0.02 -1.26 -4.82 135.00 128.45 2kb4 s PRO 43 Ca 0.28 1.26 -0.35 0.00 0.02 0.00 0.00 61.00 62.21 2kb4 s PRO 43 Cb -0.12 -1.73 -0.15 0.00 0.02 0.00 0.00 34.50 32.52 2kb4 s PRO 43 CO 0.20 -2.64 2.30 0.00 -0.33 0.00 0.00 177.00 176.53 2kb4 n ALA 44 N -4.21 0.69 -2.71 -1.55 0.00 -1.26 -4.75 120.51 106.72 2kb4 n ALA 44 Ca 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 2kb4 n ALA 44 Cb 0.53 -2.46 0.07 0.00 0.00 0.00 0.00 19.45 17.60 2kb4 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 45 N 6.70 1.59 3.95 0.00 0.00 -1.15 -1.12 105.19 115.16 2kb4 n GLY 45 Ca 0.49 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N -2.39 5.47 0.35 1.61 0.01 -1.06 -4.93 113.70 112.76 2kb4 s SER 46 Ca 0.23 0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.82 2kb4 s SER 46 Cb 0.41 -1.29 -0.06 0.00 0.21 0.00 0.00 66.02 65.30 2kb4 s SER 46 CO -0.04 -1.04 0.06 0.00 0.41 0.00 0.00 173.24 172.64 2kb4 s ALA 47 N -2.80 2.54 0.03 1.44 0.00 -1.26 -1.58 121.76 120.13 2kb4 s ALA 47 Ca 0.54 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.59 2kb4 s ALA 47 Cb -0.10 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2kb4 s ALA 47 CO 0.40 -0.29 -0.09 -0.48 0.00 0.00 0.00 175.76 175.30 2kb4 s LEU 48 N -3.53 2.15 -0.13 0.00 2.34 -0.36 -0.45 118.68 118.71 2kb4 s LEU 48 Ca 0.34 -0.38 -0.02 0.00 0.06 0.00 0.00 54.13 54.14 2kb4 s LEU 48 Cb 0.08 -0.34 -0.03 0.00 -0.56 0.00 0.00 46.19 45.34 2kb4 s LEU 48 CO 0.15 -0.04 -0.07 -1.48 -1.06 0.00 0.00 176.35 173.85 2kb4 s LEU 49 N -0.98 3.11 -0.25 1.48 0.05 0.22 -0.78 118.68 121.52 2kb4 s LEU 49 Ca -0.03 -0.14 -0.00 0.00 0.05 0.00 0.00 54.13 54.01 2kb4 s LEU 49 Cb -0.07 -1.72 0.04 0.00 -2.05 0.00 0.00 46.19 42.39 2kb4 s LEU 49 CO 0.00 0.22 -0.08 -0.69 -0.55 0.00 0.00 176.35 175.26 2kb4 s VAL 50 N 0.03 2.65 -0.34 1.48 1.01 0.90 -0.61 120.40 125.53 2kb4 s VAL 50 Ca -0.01 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.61 2kb4 s VAL 50 Cb -0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2kb4 s VAL 50 CO 0.03 0.14 0.40 -0.69 0.00 0.00 0.00 175.10 174.98 2kb4 s VAL 51 N 1.26 5.13 -0.00 2.92 1.01 0.37 -0.11 120.40 130.99 2kb4 s VAL 51 Ca -0.02 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2kb4 s VAL 51 Cb -0.17 -3.85 -0.25 0.00 0.00 0.00 0.00 36.38 32.12 2kb4 s VAL 51 CO -0.05 -0.10 0.83 0.11 0.00 0.00 0.00 175.10 175.89 2kb4 h LYS 52 N 8.44 0.11 -2.96 2.72 1.57 -1.71 -3.12 116.57 121.61 2kb4 h LYS 52 Ca -0.29 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.12 2kb4 h LYS 52 Cb 1.14 0.07 -0.29 0.00 0.08 0.00 0.00 32.23 33.23 2kb4 h LYS 52 CO 0.71 0.87 -0.44 0.50 -0.57 0.00 0.00 179.45 180.52 2kb4 s ARG 53 N -2.62 0.25 0.00 3.15 6.06 -1.20 -5.00 118.95 119.59 2kb4 s ARG 53 Ca -0.07 0.56 0.00 0.00 -2.50 0.00 0.00 55.73 53.72 2kb4 s ARG 53 Cb 0.08 -0.07 0.00 0.00 0.06 0.00 0.00 34.95 35.01 2kb4 s ARG 53 CO 0.83 -0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.89 2kb4 n GLY 54 N 4.10 2.86 0.34 8.12 0.00 -1.26 -2.69 105.19 116.65 2kb4 n GLY 54 Ca -0.24 -0.10 0.20 0.00 0.00 0.00 0.00 46.02 45.88 2kb4 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 h PRO 55 N 0.00 0.00 -1.08 1.61 0.13 -1.97 -1.94 132.00 128.75 2kb4 h PRO 55 Ca 0.00 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.42 2kb4 h PRO 55 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2kb4 h PRO 55 CO 0.00 0.00 0.70 -2.95 -0.23 0.00 0.00 178.00 175.52 2kb4 h ASN 56 N 0.00 0.39 0.00 1.44 7.08 -1.92 -3.43 115.58 119.14 2kb4 h ASN 56 Ca 0.01 0.08 0.00 0.00 -3.08 0.00 0.00 56.30 53.31 2kb4 h ASN 56 Cb 0.17 0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.44 2kb4 h ASN 56 CO -0.00 0.04 0.00 0.00 -2.08 0.00 0.00 177.43 175.39 2kb4 n ALA 57 N -2.50 1.09 -2.46 4.14 0.00 -0.96 -4.11 120.51 115.71 2kb4 n ALA 57 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2kb4 n ALA 57 Cb 0.98 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.43 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N -0.31 0.57 0.61 0.00 0.00 -0.77 -5.00 105.19 100.29 2kb4 n GLY 58 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -2.30 -0.26 -2.89 4.61 0.00 -1.18 -4.89 120.51 113.60 2kb4 n ALA 59 Ca -0.01 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 2kb4 n ALA 59 Cb 0.52 0.17 -0.14 0.00 0.00 0.00 0.00 19.45 20.00 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -2.03 3.16 -0.02 0.00 1.70 -1.26 -0.48 118.95 120.02 2kb4 s ARG 60 Ca 0.03 -0.66 0.01 0.00 -0.47 0.00 0.00 55.73 54.64 2kb4 s ARG 60 Cb -0.01 -2.60 0.01 0.00 -0.57 0.00 0.00 34.95 31.79 2kb4 s ARG 60 CO 0.02 0.34 -0.04 0.12 -1.08 0.00 0.00 175.30 174.66 2kb4 s PHE 61 N 0.02 0.56 -0.11 5.89 5.36 0.22 -4.96 117.98 124.95 2kb4 s PHE 61 Ca -0.03 -0.12 -0.18 0.00 -0.96 0.00 0.00 56.93 55.64 2kb4 s PHE 61 Cb -0.14 -0.46 -0.04 0.00 -0.34 0.00 0.00 43.02 42.04 2kb4 s PHE 61 CO 0.04 -0.09 0.49 -0.51 -1.46 0.00 0.00 175.22 173.69 2kb4 s LEU 62 N 0.42 4.28 -0.09 6.12 1.02 -1.26 -0.61 118.68 128.57 2kb4 s LEU 62 Ca -0.05 0.84 -0.30 0.00 0.02 0.00 0.00 54.13 54.64 2kb4 s LEU 62 Cb -0.09 -2.71 -0.04 0.00 0.02 0.00 0.00 46.19 43.37 2kb4 s LEU 62 CO -0.00 -0.00 1.43 -0.76 0.02 0.00 0.00 176.35 177.03 2kb4 s LEU 63 N 0.61 4.26 0.00 1.79 2.01 0.41 -4.82 118.68 122.93 2kb4 s LEU 63 Ca 0.27 1.98 0.00 0.00 0.01 0.00 0.00 54.13 56.38 2kb4 s LEU 63 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.51 2kb4 s LEU 63 CO 0.11 -0.80 0.00 -0.67 1.01 0.00 0.00 176.35 175.99 2kb4 n ASP 64 N 6.47 4.05 -4.84 2.29 2.03 -1.26 -4.40 116.55 120.90 2kb4 n ASP 64 Ca 0.15 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.08 2kb4 n ASP 64 Cb 0.44 0.61 -0.06 0.00 -0.72 0.00 0.00 41.12 41.39 2kb4 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb4 s GLN 65 N -1.72 3.96 0.30 -0.67 0.00 -1.26 -4.52 119.66 115.75 2kb4 s GLN 65 Ca 0.00 0.45 0.03 0.00 -0.00 0.00 0.00 55.36 55.85 2kb4 s GLN 65 Cb 0.00 -3.16 0.47 0.00 0.00 0.00 0.00 33.01 30.32 2kb4 s GLN 65 CO 0.00 0.64 1.76 -1.00 0.00 0.00 0.00 175.29 176.68 2kb4 h PRO 66 N 4.39 0.46 -3.47 9.60 0.13 -1.91 -3.38 132.00 137.82 2kb4 h PRO 66 Ca -0.51 -0.16 -0.58 0.00 -0.87 0.00 0.00 66.00 63.89 2kb4 h PRO 66 Cb 1.21 -0.04 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2kb4 h PRO 66 CO 0.63 0.65 -0.76 0.99 -0.23 0.00 0.00 178.00 179.28 2kb4 s THR 67 N -4.57 0.81 -0.39 1.56 2.01 -1.26 -1.69 115.64 112.11 2kb4 s THR 67 Ca -0.07 -1.38 -0.21 0.00 0.31 0.00 0.00 61.69 60.35 2kb4 s THR 67 Cb 0.14 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 71.05 2kb4 s THR 67 CO 0.78 -0.69 0.66 -0.89 -0.69 0.00 0.00 174.62 173.79 2kb4 s THR 68 N 1.62 4.84 -0.27 -0.82 2.01 0.10 -4.95 115.64 118.18 2kb4 s THR 68 Ca 0.10 0.45 -0.16 0.00 0.31 0.00 0.00 61.69 62.39 2kb4 s THR 68 Cb -0.17 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2kb4 s THR 68 CO -0.25 -0.44 0.44 -0.89 -0.69 0.00 0.00 174.62 172.79 2kb4 s THR 69 N 2.81 5.12 -0.23 -0.82 2.01 -1.26 -0.60 115.64 122.67 2kb4 s THR 69 Ca 0.25 0.72 -0.05 0.00 0.31 0.00 0.00 61.69 62.91 2kb4 s THR 69 Cb -0.14 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2kb4 s THR 69 CO 0.17 0.12 -0.00 0.00 -0.69 0.00 0.00 174.62 174.22 2kb4 s ALA 70 N 2.19 2.95 0.00 7.40 0.00 0.10 -1.72 121.76 132.69 2kb4 s ALA 70 Ca 0.18 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2kb4 s ALA 70 Cb -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.12 2kb4 s ALA 70 CO 0.10 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2kb4 n GLY 71 N 4.81 -0.80 2.31 0.00 0.00 -1.19 -1.78 105.19 108.54 2kb4 n GLY 71 Ca -0.17 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 2kb4 n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kb4 n ARG 72 N 0.00 1.38 -4.42 1.61 3.00 -1.25 -0.30 116.66 116.67 2kb4 n ARG 72 Ca 0.00 -3.70 -0.21 0.00 -0.00 0.00 0.00 57.85 53.94 2kb4 n ARG 72 Cb 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 32.46 30.71 2kb4 n ARG 72 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2kb4 s HIS 73 N -2.00 1.91 0.42 -0.14 3.76 -1.26 -4.99 115.29 112.98 2kb4 s HIS 73 Ca 0.39 -0.78 0.09 0.00 -0.15 0.00 0.00 55.06 54.61 2kb4 s HIS 73 Cb 0.23 -1.13 0.90 0.00 1.11 0.00 0.00 32.58 33.69 2kb4 s HIS 73 CO -0.09 0.18 2.04 -1.35 -0.85 0.00 0.00 174.74 174.67 2kb4 h PRO 74 N 2.27 0.38 -3.21 8.40 0.11 -2.02 -3.19 132.00 134.74 2kb4 h PRO 74 Ca -0.40 -0.04 -0.80 0.00 0.11 0.00 0.00 66.00 64.88 2kb4 h PRO 74 Cb 1.23 -0.08 -0.25 0.00 0.11 0.00 0.00 31.00 32.01 2kb4 h PRO 74 CO 0.68 0.31 0.96 0.39 -0.21 0.00 0.00 178.00 180.12 2kb4 n GLU 75 N -4.43 4.13 -3.72 1.05 -0.58 -1.26 -4.88 120.64 110.95 2kb4 n GLU 75 Ca 0.01 -4.34 -0.15 0.00 -0.42 0.00 0.00 57.16 52.25 2kb4 n GLU 75 Cb 0.12 -2.61 -0.15 0.00 -0.57 0.00 0.00 31.44 28.23 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kb4 s SER 76 N -0.61 0.31 -0.02 1.62 0.01 -1.21 -4.76 113.70 109.04 2kb4 s SER 76 Ca 0.33 0.25 -0.25 0.00 1.31 0.00 0.00 55.95 57.59 2kb4 s SER 76 Cb 0.03 0.15 -0.20 0.00 0.21 0.00 0.00 66.02 66.21 2kb4 s SER 76 CO 0.05 -0.19 1.25 -0.78 0.41 0.00 0.00 173.24 173.99 2kb4 h ASP 77 N 7.72 -0.04 -3.44 2.44 1.82 -1.67 -3.40 116.42 119.85 2kb4 h ASP 77 Ca -0.31 -0.44 -0.65 0.00 -0.39 0.00 0.00 57.03 55.24 2kb4 h ASP 77 Cb 1.13 0.01 -0.24 0.00 0.68 0.00 0.00 39.33 40.91 2kb4 h ASP 77 CO 0.32 0.43 -0.67 0.27 -1.61 0.00 0.00 179.24 177.98 2kb4 s ILE 78 N -4.28 3.85 -0.27 2.25 -4.36 -1.25 -5.07 121.20 112.07 2kb4 s ILE 78 Ca -0.15 -0.34 -0.07 0.00 -0.26 0.00 0.00 60.65 59.82 2kb4 s ILE 78 Cb 0.02 -2.75 -0.00 0.00 1.25 0.00 0.00 42.46 40.98 2kb4 s ILE 78 CO 0.65 0.42 0.06 0.72 0.24 0.00 0.00 174.94 177.04 2kb4 s PHE 79 N 1.12 3.11 0.13 1.37 -0.71 -1.26 -3.16 117.98 118.57 2kb4 s PHE 79 Ca 0.02 -0.81 -0.30 0.00 -1.04 0.00 0.00 56.93 54.81 2kb4 s PHE 79 Cb -0.14 -2.24 -0.06 0.00 -1.21 0.00 0.00 43.02 39.37 2kb4 s PHE 79 CO 0.01 -0.51 0.96 -0.51 -1.34 0.00 0.00 175.22 173.83 2kb4 s LEU 80 N 1.53 4.52 -0.05 -1.99 1.02 0.59 -4.44 118.68 119.86 2kb4 s LEU 80 Ca 0.04 1.82 0.12 0.00 0.02 0.00 0.00 54.13 56.13 2kb4 s LEU 80 Cb -0.16 -3.59 0.21 0.00 0.02 0.00 0.00 46.19 42.67 2kb4 s LEU 80 CO 0.02 -0.04 1.10 -0.67 0.02 0.00 0.00 176.35 176.78 2kb4 n ASP 81 N 2.63 0.89 -3.96 2.29 2.03 -1.26 -4.45 116.55 114.71 2kb4 n ASP 81 Ca 0.02 -2.41 -0.30 0.00 0.52 0.00 0.00 54.79 52.62 2kb4 n ASP 81 Cb 0.49 -0.31 0.21 0.00 -0.72 0.00 0.00 41.12 40.79 2kb4 n ASP 81 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kb4 s ASP 82 N -1.86 2.56 0.00 1.67 1.11 -1.26 -4.94 116.67 113.95 2kb4 s ASP 82 Ca 0.19 0.24 0.26 0.00 0.18 0.00 0.00 52.55 53.43 2kb4 s ASP 82 Cb 0.20 -0.25 1.38 0.00 1.07 0.00 0.00 42.92 45.32 2kb4 s ASP 82 CO -0.05 -3.08 1.91 0.55 1.18 0.00 0.00 175.17 175.69 2kb4 n VAL 83 N -3.99 0.03 -0.54 -1.27 3.14 -1.26 -3.38 118.33 111.06 2kb4 n VAL 83 Ca 0.16 -0.10 0.07 0.00 -2.96 0.00 0.00 64.34 61.51 2kb4 n VAL 83 Cb 0.59 -0.13 0.21 0.00 -1.06 0.00 0.00 33.84 33.46 2kb4 n VAL 83 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2kb4 n THR 84 N -0.53 1.58 -2.85 1.55 -2.24 -1.26 -5.00 114.28 105.53 2kb4 n THR 84 Ca 0.19 -1.36 -0.40 0.00 -2.27 0.00 0.00 64.05 60.21 2kb4 n THR 84 Cb 0.18 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 2kb4 n THR 84 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2kb4 s VAL 85 N -1.79 4.27 0.00 2.28 -7.23 -1.22 -4.70 120.40 112.01 2kb4 s VAL 85 Ca 0.33 1.92 0.00 0.00 -1.81 0.00 0.00 61.98 62.42 2kb4 s VAL 85 Cb 0.23 -4.24 0.00 0.00 0.56 0.00 0.00 36.38 32.92 2kb4 s VAL 85 CO 0.14 0.48 0.00 -1.54 -0.31 0.00 0.00 175.10 173.87 2kb4 n SER 86 N 1.75 0.00 0.00 4.85 3.41 -1.26 -5.00 113.62 117.37 2kb4 n SER 86 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2kb4 n SER 86 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2kb4 n SER 86 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2kb4 n ARG 87 N -0.86 0.00 -2.82 4.33 3.00 -1.26 -4.96 116.66 114.09 2kb4 n ARG 87 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 2kb4 n ARG 87 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 2kb4 n ARG 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2kb4 s ARG 88 N 0.24 3.40 0.00 -0.14 3.00 -1.26 -3.96 118.95 120.23 2kb4 s ARG 88 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 55.73 55.62 2kb4 s ARG 88 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 34.95 30.94 2kb4 s ARG 88 CO 0.00 -1.42 0.00 1.58 0.00 0.00 0.00 175.30 175.46 2kb4 n HIS 89 N 7.43 0.00 -3.91 -0.53 -0.00 -1.20 -2.56 115.22 114.45 2kb4 n HIS 89 Ca 0.03 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.12 2kb4 n HIS 89 Cb 0.48 -0.09 -0.09 0.00 -0.12 0.00 0.00 29.99 30.16 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -3.88 -0.14 -0.03 1.57 0.00 -0.73 -1.11 121.76 117.44 2kb4 s ALA 90 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 2kb4 s ALA 90 Cb 0.00 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.41 2kb4 s ALA 90 CO 0.00 -0.33 0.05 -2.00 0.00 0.00 0.00 175.76 173.47 2kb4 s GLU 91 N -2.64 -0.03 -0.37 0.00 2.12 -0.07 -0.72 118.70 116.98 2kb4 s GLU 91 Ca -0.05 0.24 -0.16 0.00 0.36 0.00 0.00 54.97 55.37 2kb4 s GLU 91 Cb -0.01 -0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.10 2kb4 s GLU 91 CO -0.05 -0.20 0.37 -0.06 -0.54 0.00 0.00 175.26 174.79 2kb4 s PHE 92 N 1.29 3.20 0.14 5.30 0.40 0.23 -2.04 117.98 126.49 2kb4 s PHE 92 Ca -0.07 -0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 2kb4 s PHE 92 Cb -0.13 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.65 2kb4 s PHE 92 CO -0.03 -0.53 -0.07 1.03 0.70 0.00 0.00 175.22 176.32 2kb4 s ARG 93 N 2.00 2.20 -0.25 0.44 0.52 -0.39 0.01 118.95 123.48 2kb4 s ARG 93 Ca 0.11 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.20 2kb4 s ARG 93 Cb -0.17 -2.30 0.02 0.00 0.52 0.00 0.00 34.95 33.02 2kb4 s ARG 93 CO 0.12 0.48 -0.03 -1.50 0.02 0.00 0.00 175.30 174.38 2kb4 s ILE 94 N -1.46 3.15 -0.67 1.52 -1.16 -0.68 -0.10 121.20 121.81 2kb4 s ILE 94 Ca 0.24 -0.86 -0.17 0.00 -0.51 0.00 0.00 60.65 59.35 2kb4 s ILE 94 Cb -0.10 -2.57 0.15 0.00 0.61 0.00 0.00 42.46 40.55 2kb4 s ILE 94 CO 0.15 0.22 0.68 0.21 -2.81 0.00 0.00 174.94 173.40 2kb4 s ASN 95 N 1.38 6.38 -0.14 4.50 2.47 0.14 -4.69 114.94 124.99 2kb4 s ASN 95 Ca 0.02 -1.96 0.00 0.00 0.42 0.00 0.00 52.86 51.34 2kb4 s ASN 95 Cb -0.16 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 2kb4 s ASN 95 CO -0.03 -0.87 0.00 -1.84 -3.72 0.00 0.00 177.10 170.64 2kb4 n GLU 96 N 5.31 -1.67 0.00 0.43 0.28 -1.26 -1.48 120.64 122.26 2kb4 n GLU 96 Ca -0.02 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2kb4 n GLU 96 Cb 0.43 -3.42 0.00 0.00 1.43 0.00 0.00 31.44 29.89 2kb4 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kb4 n GLY 97 N 0.09 0.05 3.16 -1.84 0.00 -1.26 -5.11 105.19 100.28 2kb4 n GLY 97 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2kb4 n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kb4 s GLU 98 N 0.00 0.63 0.04 1.61 2.12 -0.55 -5.04 118.70 117.50 2kb4 s GLU 98 Ca 0.00 -0.52 -0.19 0.00 0.36 0.00 0.00 54.97 54.63 2kb4 s GLU 98 Cb 0.00 0.26 -0.06 0.00 0.26 0.00 0.00 34.13 34.59 2kb4 s GLU 98 CO 0.00 -0.17 0.54 -0.06 -0.54 0.00 0.00 175.26 175.03 2kb4 s PHE 99 N -2.08 3.76 -0.09 5.30 0.40 -1.26 0.28 117.98 124.28 2kb4 s PHE 99 Ca -0.09 1.19 0.01 0.00 -0.60 0.00 0.00 56.93 57.45 2kb4 s PHE 99 Cb -0.03 -2.49 0.02 0.00 0.51 0.00 0.00 43.02 41.02 2kb4 s PHE 99 CO -0.01 0.53 -0.11 -2.00 0.70 0.00 0.00 175.22 174.32 2kb4 s GLU 100 N -0.83 1.78 -0.28 0.44 2.12 0.86 -0.26 118.70 122.53 2kb4 s GLU 100 Ca 0.28 -0.40 -0.10 0.00 0.36 0.00 0.00 54.97 55.12 2kb4 s GLU 100 Cb -0.19 -1.60 -0.03 0.00 0.26 0.00 0.00 34.13 32.58 2kb4 s GLU 100 CO 0.17 -0.10 0.15 0.54 -0.54 0.00 0.00 175.26 175.48 2kb4 s VAL 101 N 1.11 4.81 -0.04 3.70 0.11 0.09 -1.26 120.40 128.91 2kb4 s VAL 101 Ca -0.06 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 58.95 2kb4 s VAL 101 Cb -0.14 -3.33 -0.02 0.00 -1.53 0.00 0.00 36.38 31.36 2kb4 s VAL 101 CO -0.02 0.21 -0.25 0.68 -3.33 0.00 0.00 175.10 172.39 2kb4 s VAL 102 N 1.67 2.06 -0.18 2.04 -7.23 -0.87 -1.00 120.40 116.90 2kb4 s VAL 102 Ca 0.06 -1.09 -0.26 0.00 -1.81 0.00 0.00 61.98 58.88 2kb4 s VAL 102 Cb -0.16 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 2kb4 s VAL 102 CO 0.07 0.58 0.88 -0.62 -0.31 0.00 0.00 175.10 175.70 2kb4 s ASP 103 N -0.39 7.00 0.00 4.85 -1.08 0.07 -0.89 116.67 126.23 2kb4 s ASP 103 Ca 0.03 1.24 0.16 0.00 -0.52 0.00 0.00 52.55 53.46 2kb4 s ASP 103 Cb -0.12 -2.48 0.44 0.00 -1.46 0.00 0.00 42.92 39.31 2kb4 s ASP 103 CO 0.01 -0.46 1.37 1.33 0.52 0.00 0.00 175.17 177.94 2kb4 n VAL 104 N 4.85 0.96 0.00 1.11 0.24 -0.27 -4.60 118.33 120.62 2kb4 n VAL 104 Ca 0.06 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 2kb4 n VAL 104 Cb 0.48 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N 1.01 0.00 2.64 7.63 0.00 -1.06 -4.83 105.19 110.59 2kb4 n GLY 105 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -2.57 -4.91 -0.03 1.61 7.64 -1.26 -4.86 113.62 109.23 2kb4 n SER 106 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2kb4 n SER 106 Cb 0.34 -2.42 -0.11 0.00 -1.01 0.00 0.00 64.21 61.01 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb4 h LEU 107 N 0.00 0.13 0.00 -3.43 3.38 -1.93 -3.34 115.31 110.12 2kb4 h LEU 107 Ca 0.00 -0.74 -0.08 0.00 0.09 0.00 0.00 57.88 57.15 2kb4 h LEU 107 Cb 0.64 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2kb4 h LEU 107 CO 0.00 0.85 -0.42 -1.13 0.09 0.00 0.00 178.44 177.83 2kb4 h ASN 108 N -0.58 0.00 -1.50 -0.43 -0.00 -1.89 -3.50 115.58 107.69 2kb4 h ASN 108 Ca -0.01 -0.80 0.00 0.00 -0.00 0.00 0.00 56.30 55.48 2kb4 h ASN 108 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.18 2kb4 h ASN 108 CO 0.03 1.15 0.00 0.61 -0.00 0.00 0.00 177.43 179.21 2kb4 n GLY 109 N 1.56 0.09 3.74 1.57 0.00 -1.26 -5.03 105.19 105.85 2kb4 n GLY 109 Ca -0.17 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N -1.10 3.60 -0.16 2.61 2.01 -1.26 -4.83 115.64 116.50 2kb4 s THR 110 Ca 0.00 1.36 -0.07 0.00 0.31 0.00 0.00 61.69 63.28 2kb4 s THR 110 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2kb4 s THR 110 CO 0.00 0.22 0.09 -0.31 -0.69 0.00 0.00 174.62 173.94 2kb4 s TYR 111 N -0.12 3.36 -0.03 4.92 2.02 -0.94 -4.48 117.35 122.08 2kb4 s TYR 111 Ca 0.52 0.26 0.04 0.00 -0.37 0.00 0.00 57.07 57.52 2kb4 s TYR 111 Cb -0.32 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.19 2kb4 s TYR 111 CO 0.37 0.35 -0.14 0.54 -1.57 0.00 0.00 175.55 175.10 2kb4 s VAL 112 N -0.07 1.18 -2.08 0.71 0.11 -0.52 -1.05 120.40 118.68 2kb4 s VAL 112 Ca 0.08 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 2kb4 s VAL 112 Cb -0.12 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 2kb4 s VAL 112 CO 0.01 0.34 0.00 -3.20 -3.33 0.00 0.00 175.10 168.92 2kb4 n ASN 113 N 3.00 -5.52 -3.48 3.54 2.85 -0.56 -0.92 115.26 114.17 2kb4 n ASN 113 Ca -0.17 0.40 -0.25 0.00 -0.11 0.00 0.00 54.58 54.45 2kb4 n ASN 113 Cb 0.54 -4.76 0.03 0.00 1.24 0.00 0.00 39.78 36.82 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb4 n ARG 114 N -2.52 -5.02 -4.14 1.20 1.74 0.00 -4.76 116.66 103.16 2kb4 n ARG 114 Ca -0.21 0.67 -0.17 0.00 -0.77 0.00 0.00 57.85 57.38 2kb4 n ARG 114 Cb 0.67 -5.53 -0.12 0.00 -1.02 0.00 0.00 32.46 26.47 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb4 s GLU 115 N -6.17 0.72 -1.04 5.56 2.02 -0.09 -5.07 118.70 114.62 2kb4 s GLU 115 Ca 0.48 -0.86 -0.23 0.00 0.02 0.00 0.00 54.97 54.39 2kb4 s GLU 115 Cb -0.24 -0.64 0.01 0.00 0.10 0.00 0.00 34.13 33.37 2kb4 s GLU 115 CO 0.60 0.14 1.67 -1.25 0.02 0.00 0.00 175.26 176.44 2kb4 s PRO 116 N -1.61 3.27 0.13 0.39 0.04 -1.26 -1.43 135.00 134.52 2kb4 s PRO 116 Ca -0.05 -1.03 0.11 0.00 0.04 0.00 0.00 61.00 60.08 2kb4 s PRO 116 Cb -0.10 -5.30 -0.04 0.00 0.04 0.00 0.00 34.50 29.11 2kb4 s PRO 116 CO 0.01 -2.69 -0.27 1.03 0.04 0.00 0.00 177.00 175.12 2kb4 s ARG 117 N 5.56 1.41 -0.00 4.56 0.52 -1.26 -5.03 118.95 124.71 2kb4 s ARG 117 Ca 0.56 -1.33 0.13 0.00 -0.52 0.00 0.00 55.73 54.57 2kb4 s ARG 117 Cb -0.01 -1.89 -0.20 0.00 0.52 0.00 0.00 34.95 33.37 2kb4 s ARG 117 CO -0.03 0.45 0.76 -0.91 0.02 0.00 0.00 175.30 175.59 2kb4 h ASN 118 N 3.93 0.00 -3.79 0.23 2.35 -1.91 -3.43 115.58 112.96 2kb4 h ASN 118 Ca -0.51 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.02 2kb4 h ASN 118 Cb 1.17 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.26 2kb4 h ASN 118 CO 0.39 0.89 -0.68 0.00 -1.65 0.00 0.00 177.43 176.38 2kb4 s ALA 119 N -2.69 -0.08 0.00 -0.83 0.00 -1.26 -0.75 121.76 116.16 2kb4 s ALA 119 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2kb4 s ALA 119 Cb 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 2kb4 s ALA 119 CO 0.82 -0.02 -0.01 -1.14 0.00 0.00 0.00 175.76 175.41 2kb4 s GLN 120 N -0.03 0.12 -0.13 0.00 -0.44 -0.17 -5.01 119.66 114.00 2kb4 s GLN 120 Ca -0.01 -0.16 -0.10 0.00 -2.50 0.00 0.00 55.36 52.59 2kb4 s GLN 120 Cb -0.01 -0.03 -0.05 0.00 -1.64 0.00 0.00 33.01 31.29 2kb4 s GLN 120 CO 0.00 0.00 0.21 0.54 0.50 0.00 0.00 175.29 176.55 2kb4 s VAL 121 N -0.34 5.37 -0.32 1.34 0.11 -1.26 -0.73 120.40 124.57 2kb4 s VAL 121 Ca -0.03 0.38 -0.25 0.00 -2.93 0.00 0.00 61.98 59.15 2kb4 s VAL 121 Cb -0.02 -3.52 -0.11 0.00 -1.53 0.00 0.00 36.38 31.20 2kb4 s VAL 121 CO -0.00 0.53 1.27 0.80 -3.33 0.00 0.00 175.10 174.37 2kb4 n MET 122 N 2.61 0.00 -4.36 1.54 0.00 0.64 -4.93 117.12 112.62 2kb4 n MET 122 Ca -0.16 0.00 -0.19 0.00 -0.00 0.00 0.00 57.70 57.35 2kb4 n MET 122 Cb 0.53 -0.87 -0.15 0.00 0.00 0.00 0.00 33.22 32.74 2kb4 n MET 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2kb4 s GLN 123 N 3.65 0.77 0.03 2.12 0.74 -1.26 -4.96 119.66 120.75 2kb4 s GLN 123 Ca 0.70 -0.30 -0.30 0.00 0.05 0.00 0.00 55.36 55.51 2kb4 s GLN 123 Cb -0.85 -0.74 -0.04 0.00 1.10 0.00 0.00 33.01 32.48 2kb4 s GLN 123 CO 0.37 0.16 0.97 -0.08 -0.55 0.00 0.00 175.29 176.17 2kb4 s THR 124 N -0.08 4.76 0.00 -0.34 -1.32 -1.26 -3.30 115.64 114.10 2kb4 s THR 124 Ca 0.01 2.06 0.00 0.00 -1.21 0.00 0.00 61.69 62.55 2kb4 s THR 124 Cb -0.05 -4.32 0.00 0.00 -1.51 0.00 0.00 72.50 66.62 2kb4 s THR 124 CO -0.00 0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 2kb4 n GLY 125 N 2.71 0.74 3.76 6.08 0.00 0.32 -4.91 105.19 113.90 2kb4 n GLY 125 Ca 0.05 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -2.35 7.51 -0.14 1.61 -1.08 -0.67 -4.88 116.67 116.68 2kb4 s ASP 126 Ca 0.00 1.82 0.01 0.00 -0.52 0.00 0.00 52.55 53.86 2kb4 s ASP 126 Cb 0.00 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.92 2kb4 s ASP 126 CO 0.00 0.15 -0.14 -1.83 0.52 0.00 0.00 175.17 173.87 2kb4 s GLU 127 N -1.30 2.26 -0.19 4.34 -1.05 -1.26 0.05 118.70 121.55 2kb4 s GLU 127 Ca 0.40 -0.55 -0.08 0.00 -0.15 0.00 0.00 54.97 54.60 2kb4 s GLU 127 Cb -0.24 -2.06 -0.04 0.00 -0.44 0.00 0.00 34.13 31.36 2kb4 s GLU 127 CO 0.29 -0.21 0.07 0.42 0.95 0.00 0.00 175.26 176.78 2kb4 s ILE 128 N 1.41 4.78 -0.14 1.83 1.01 0.85 -0.82 121.20 130.13 2kb4 s ILE 128 Ca 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2kb4 s ILE 128 Cb -0.13 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.18 2kb4 s ILE 128 CO -0.09 0.44 -0.21 -1.58 0.00 0.00 0.00 174.94 173.50 2kb4 s GLN 129 N 0.55 2.93 -0.48 2.79 0.74 -0.21 -0.18 119.66 125.79 2kb4 s GLN 129 Ca 0.04 -0.82 -0.06 0.00 0.05 0.00 0.00 55.36 54.57 2kb4 s GLN 129 Cb -0.13 -2.38 0.13 0.00 1.10 0.00 0.00 33.01 31.73 2kb4 s GLN 129 CO 0.01 -0.03 0.32 0.96 -0.55 0.00 0.00 175.29 176.00 2kb4 s ILE 130 N 0.86 3.84 0.00 -2.34 -4.36 0.55 -2.22 121.20 117.53 2kb4 s ILE 130 Ca -0.06 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 2kb4 s ILE 130 Cb -0.15 -3.56 0.00 0.00 1.25 0.00 0.00 42.46 40.00 2kb4 s ILE 130 CO -0.02 -0.77 0.00 0.61 0.24 0.00 0.00 174.94 175.00 2kb4 n GLY 131 N 4.55 1.38 0.00 6.27 0.00 -1.26 -1.29 105.19 114.83 2kb4 n GLY 131 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2kb4 n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kb4 n LYS 132 N 0.00 3.23 -3.01 1.61 4.81 -1.26 -5.05 118.16 118.49 2kb4 n LYS 132 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 2kb4 n LYS 132 Cb 0.00 -0.37 -0.05 0.00 0.02 0.00 0.00 35.03 34.63 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kb4 s PHE 133 N -0.59 3.64 -0.07 5.64 0.08 -0.41 -5.01 117.98 121.27 2kb4 s PHE 133 Ca 0.00 1.35 0.05 0.00 0.12 0.00 0.00 56.93 58.45 2kb4 s PHE 133 Cb 0.00 -2.82 -0.01 0.00 -0.57 0.00 0.00 43.02 39.62 2kb4 s PHE 133 CO 0.00 0.16 -0.22 -0.98 -0.10 0.00 0.00 175.22 174.08 2kb4 s ARG 134 N 0.49 2.68 -0.07 0.44 1.70 -1.10 -0.33 118.95 122.75 2kb4 s ARG 134 Ca 0.39 -0.84 0.05 0.00 -0.47 0.00 0.00 55.73 54.85 2kb4 s ARG 134 Cb -0.19 -2.26 -0.01 0.00 -0.57 0.00 0.00 34.95 31.92 2kb4 s ARG 134 CO 0.20 0.39 -0.25 -1.17 -1.08 0.00 0.00 175.30 173.39 2kb4 s LEU 135 N -0.16 2.08 -0.23 -1.89 0.20 0.74 -2.03 118.68 117.39 2kb4 s LEU 135 Ca -0.03 -0.53 -0.06 0.00 0.69 0.00 0.00 54.13 54.20 2kb4 s LEU 135 Cb -0.14 -1.38 -0.02 0.00 -0.43 0.00 0.00 46.19 44.21 2kb4 s LEU 135 CO 0.04 0.21 0.03 -0.69 -0.29 0.00 0.00 176.35 175.65 2kb4 s VAL 136 N 0.03 4.03 -0.25 1.68 1.01 0.85 -0.11 120.40 127.64 2kb4 s VAL 136 Ca -0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 2kb4 s VAL 136 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2kb4 s VAL 136 CO 0.06 0.37 0.13 0.12 0.00 0.00 0.00 175.10 175.78 2kb4 s PHE 137 N 1.48 3.19 0.26 5.22 5.36 0.11 -0.07 117.98 133.53 2kb4 s PHE 137 Ca 0.06 -0.05 0.11 0.00 -0.96 0.00 0.00 56.93 56.08 2kb4 s PHE 137 Cb -0.15 -2.28 -0.05 0.00 -0.34 0.00 0.00 43.02 40.20 2kb4 s PHE 137 CO 0.02 -0.16 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.92 2kb4 s LEU 138 N 1.45 2.57 0.49 6.12 2.01 0.04 -0.52 118.68 130.83 2kb4 s LEU 138 Ca 0.06 -1.01 -0.21 0.00 0.01 0.00 0.00 54.13 52.98 2kb4 s LEU 138 Cb -0.15 -1.01 -0.07 0.00 0.01 0.00 0.00 46.19 44.97 2kb4 s LEU 138 CO 0.06 -0.00 1.10 0.00 1.01 0.00 0.00 176.35 178.52 2kb4 s ALA 139 N -2.54 2.85 0.00 4.21 0.00 -1.26 -1.22 121.76 123.80 2kb4 s ALA 139 Ca 0.27 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2kb4 s ALA 139 Cb -0.04 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2kb4 s ALA 139 CO 0.13 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2kb4 n GLY 140 N 0.12 4.19 3.65 0.00 0.00 -0.61 -4.57 105.19 107.96 2kb4 n GLY 140 Ca 0.09 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 2kb4 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb4 s PRO 141 N 4.85 4.15 -0.39 1.61 0.02 -1.18 -4.87 135.00 139.19 2kb4 s PRO 141 Ca 0.00 1.37 -0.06 0.00 0.02 0.00 0.00 61.00 62.33 2kb4 s PRO 141 Cb 0.00 -3.74 0.08 0.00 0.02 0.00 0.00 34.50 30.86 2kb4 s PRO 141 CO 0.00 -0.79 0.19 0.00 -0.33 0.00 0.00 177.00 176.07 2kb4 s ALA 142 N 3.58 3.16 0.00 -1.55 0.00 -1.26 -2.56 121.76 123.14 2kb4 s ALA 142 Ca 0.49 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2kb4 s ALA 142 Cb -0.17 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.50 2kb4 s ALA 142 CO 0.13 -1.62 0.33 -1.91 0.00 0.00 0.00 175.76 172.70