#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 0.67 -3.52 7.83 0.87 -2.14 -3.44 113.55 113.82 2kb4 h SER 2 Ca 0.00 -0.78 -0.50 0.00 -1.23 0.00 0.00 61.79 59.28 2kb4 h SER 2 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2kb4 h SER 2 CO 0.00 1.62 0.03 1.51 -0.53 0.00 0.00 176.83 179.46 2kb4 s ASP 3 N -7.38 6.47 0.02 6.23 -4.77 -1.26 -5.09 116.67 110.89 2kb4 s ASP 3 Ca -0.09 0.97 -0.22 0.00 -3.30 0.00 0.00 52.55 49.91 2kb4 s ASP 3 Cb 0.05 -2.26 0.05 0.00 -1.09 0.00 0.00 42.92 39.68 2kb4 s ASP 3 CO 0.91 -0.35 0.51 0.54 0.70 0.00 0.00 175.17 177.48 2kb4 s ASN 4 N -3.25 -0.43 0.03 2.11 6.03 -1.26 -5.16 114.94 113.01 2kb4 s ASN 4 Ca 0.48 0.25 0.04 0.00 -1.03 0.00 0.00 52.86 52.61 2kb4 s ASN 4 Cb -0.10 0.47 -0.02 0.00 -3.03 0.00 0.00 41.25 38.56 2kb4 s ASN 4 CO 0.32 -0.65 -0.12 0.21 -2.03 0.00 0.00 177.10 174.83 2kb4 s ASN 5 N -1.71 1.46 0.00 3.54 2.47 -1.26 -5.13 114.94 114.30 2kb4 s ASN 5 Ca -0.08 -0.39 0.00 0.00 0.42 0.00 0.00 52.86 52.81 2kb4 s ASN 5 Cb -0.01 -0.10 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 2kb4 s ASN 5 CO 0.02 0.04 0.00 0.61 -3.72 0.00 0.00 177.10 174.04 2kb4 n GLY 6 N 2.12 4.91 3.80 1.21 0.00 -1.26 -5.13 105.19 110.83 2kb4 n GLY 6 Ca -0.17 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 2kb4 n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb4 s THR 7 N 3.45 4.50 0.58 2.61 -1.32 -1.26 -5.06 115.64 119.15 2kb4 s THR 7 Ca 0.00 1.42 -0.19 0.00 -1.21 0.00 0.00 61.69 61.71 2kb4 s THR 7 Cb 0.00 -3.94 -0.04 0.00 -1.51 0.00 0.00 72.50 67.01 2kb4 s THR 7 CO 0.00 0.29 1.18 -2.16 -2.21 0.00 0.00 174.62 171.72 2kb4 s PRO 8 N -1.74 3.06 -0.00 7.08 0.04 -1.26 -5.00 135.00 137.17 2kb4 s PRO 8 Ca 0.41 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 2kb4 s PRO 8 Cb -0.18 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2kb4 s PRO 8 CO 0.22 -1.11 1.11 -1.21 0.04 0.00 0.00 177.00 176.05 2kb4 s GLU 9 N -3.36 4.45 0.63 4.56 8.01 -1.26 -5.02 118.70 126.70 2kb4 s GLU 9 Ca 0.75 1.60 -0.18 0.00 0.01 0.00 0.00 54.97 57.15 2kb4 s GLU 9 Cb -0.28 -3.45 -0.02 0.00 -4.31 0.00 0.00 34.13 26.07 2kb4 s GLU 9 CO 0.32 -0.25 1.24 -2.14 0.01 0.00 0.00 175.26 174.44 2kb4 s PRO 10 N 1.43 2.73 0.63 0.39 0.02 -1.26 -5.03 135.00 133.91 2kb4 s PRO 10 Ca 0.55 1.91 0.01 0.00 0.02 0.00 0.00 61.00 63.49 2kb4 s PRO 10 Cb -0.24 -1.89 0.08 0.00 0.02 0.00 0.00 34.50 32.47 2kb4 s PRO 10 CO 0.26 -1.42 0.88 -0.65 -0.33 0.00 0.00 177.00 175.74 2kb4 s GLN 11 N -3.41 2.13 0.39 5.54 1.11 -1.26 -5.12 119.66 119.05 2kb4 s GLN 11 Ca 0.79 -0.96 0.07 0.00 0.01 0.00 0.00 55.36 55.27 2kb4 s GLN 11 Cb -0.33 -2.42 -0.08 0.00 -1.01 0.00 0.00 33.01 29.18 2kb4 s GLN 11 CO 0.37 -1.07 0.01 0.14 0.01 0.00 0.00 175.29 174.75 2kb4 s VAL 12 N -2.94 1.90 0.27 1.09 -7.23 -1.26 -5.12 120.40 107.11 2kb4 s VAL 12 Ca 0.62 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 2kb4 s VAL 12 Cb -0.08 -2.94 -0.09 0.00 0.56 0.00 0.00 36.38 33.83 2kb4 s VAL 12 CO 0.41 -0.02 0.98 -0.70 -0.31 0.00 0.00 175.10 175.47 2kb4 s GLU 13 N -3.73 4.74 0.08 4.82 2.56 -1.26 -5.05 118.70 120.85 2kb4 s GLU 13 Ca 0.35 1.54 0.06 0.00 0.00 0.00 0.00 54.97 56.91 2kb4 s GLU 13 Cb 0.09 -3.15 -0.04 0.00 2.00 0.00 0.00 34.13 33.03 2kb4 s GLU 13 CO 0.17 0.38 -0.07 -0.08 -0.56 0.00 0.00 175.26 175.11 2kb4 s THR 14 N -1.26 3.58 -2.07 -1.70 -1.32 -1.26 -5.00 115.64 106.61 2kb4 s THR 14 Ca 0.44 -1.08 0.23 0.00 -1.21 0.00 0.00 61.69 60.06 2kb4 s THR 14 Cb -0.26 -2.66 0.59 0.00 -1.51 0.00 0.00 72.50 68.66 2kb4 s THR 14 CO 0.33 0.18 1.50 0.35 -2.21 0.00 0.00 174.62 174.77 2kb4 n THR 15 N 0.88 0.88 0.59 5.08 -2.24 -1.26 -4.60 114.28 113.61 2kb4 n THR 15 Ca -0.13 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2kb4 n THR 15 Cb 0.52 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 2kb4 n THR 15 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2kb4 n SER 16 N 1.60 3.41 -4.44 3.42 3.41 -1.26 -4.75 113.62 115.00 2kb4 n SER 16 Ca 0.23 -2.01 -0.33 0.00 -0.26 0.00 0.00 58.87 56.50 2kb4 n SER 16 Cb 0.62 -0.62 -0.13 0.00 -0.26 0.00 0.00 64.21 63.81 2kb4 n SER 16 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2kb4 s VAL 17 N 0.07 3.33 0.12 -3.33 -7.23 -1.26 -5.09 120.40 107.00 2kb4 s VAL 17 Ca 0.00 -0.57 -0.20 0.00 -1.81 0.00 0.00 61.98 59.39 2kb4 s VAL 17 Cb 0.00 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.47 2kb4 s VAL 17 CO 0.00 0.53 0.63 0.72 -0.31 0.00 0.00 175.10 176.68 2kb4 s PHE 18 N 0.08 3.79 -0.02 2.82 -0.71 -1.26 -5.03 117.98 117.65 2kb4 s PHE 18 Ca -0.04 1.35 -0.24 0.00 -1.04 0.00 0.00 56.93 56.96 2kb4 s PHE 18 Cb -0.14 -2.56 -0.05 0.00 -1.21 0.00 0.00 43.02 39.06 2kb4 s PHE 18 CO 0.04 0.52 0.72 1.03 -1.34 0.00 0.00 175.22 176.19 2kb4 s ARG 19 N -1.32 4.44 -0.91 1.99 3.00 -1.26 -4.96 118.95 119.93 2kb4 s ARG 19 Ca 0.33 0.94 -0.24 0.00 0.00 0.00 0.00 55.73 56.76 2kb4 s ARG 19 Cb -0.19 -3.40 -0.03 0.00 0.00 0.00 0.00 34.95 31.32 2kb4 s ARG 19 CO 0.21 0.18 1.87 0.00 0.00 0.00 0.00 175.30 177.56 2kb4 s ALA 20 N 0.36 1.83 -0.22 2.13 0.00 -1.26 -4.61 121.76 119.99 2kb4 s ALA 20 Ca 0.37 -1.60 0.12 0.00 0.00 0.00 0.00 51.96 50.86 2kb4 s ALA 20 Cb -0.19 -4.54 -0.22 0.00 0.00 0.00 0.00 23.12 18.17 2kb4 s ALA 20 CO 0.20 -4.61 -0.04 -0.25 0.00 0.00 0.00 175.76 171.06 2kb4 n ASP 21 N 13.18 0.75 -4.56 0.00 8.00 -1.26 -4.77 116.55 127.89 2kb4 n ASP 21 Ca 0.38 -0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.43 2kb4 n ASP 21 Cb 0.48 0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 42.03 2kb4 n ASP 21 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kb4 s LEU 22 N -5.86 3.51 -0.13 0.64 2.96 -1.26 -4.94 118.68 113.60 2kb4 s LEU 22 Ca -0.19 -1.51 -0.00 0.00 -0.22 0.00 0.00 54.13 52.20 2kb4 s LEU 22 Cb 0.07 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 2kb4 s LEU 22 CO 0.74 -1.58 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.31 2kb4 s LEU 23 N 5.33 2.74 -0.00 -0.68 1.43 -1.26 -5.00 118.68 121.24 2kb4 s LEU 23 Ca 0.49 -0.32 0.16 0.00 -1.03 0.00 0.00 54.13 53.43 2kb4 s LEU 23 Cb -0.00 -1.62 -0.18 0.00 0.03 0.00 0.00 46.19 44.42 2kb4 s LEU 23 CO -0.07 0.16 0.66 0.29 0.23 0.00 0.00 176.35 177.63 2kb4 n LYS 24 N 3.54 1.68 -2.70 1.70 4.01 -1.26 -4.93 118.16 120.19 2kb4 n LYS 24 Ca -0.18 -0.01 -0.43 0.00 -0.51 0.00 0.00 58.31 57.19 2kb4 n LYS 24 Cb 0.53 -1.26 -0.02 0.00 -0.51 0.00 0.00 35.03 33.76 2kb4 n LYS 24 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2kb4 s GLU 25 N -2.53 4.26 -0.27 1.97 2.12 -1.26 -4.99 118.70 118.00 2kb4 s GLU 25 Ca 0.05 1.29 -0.10 0.00 0.36 0.00 0.00 54.97 56.57 2kb4 s GLU 25 Cb 0.12 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 2kb4 s GLU 25 CO 0.66 -0.58 0.15 0.00 -0.54 0.00 0.00 175.26 174.94 2kb4 s MET 26 N 3.04 3.86 0.22 4.30 0.23 -1.26 -5.07 119.30 124.62 2kb4 s MET 26 Ca 0.43 -0.37 -0.30 0.00 -1.03 0.00 0.00 55.69 54.42 2kb4 s MET 26 Cb -0.15 -3.54 -0.09 0.00 -1.53 0.00 0.00 34.83 29.52 2kb4 s MET 26 CO 0.07 -0.17 1.21 -2.00 -2.03 0.00 0.00 175.02 172.11 2kb4 s GLU 27 N 1.66 4.48 -0.95 3.16 2.12 -1.26 -4.96 118.70 122.96 2kb4 s GLU 27 Ca 0.07 1.94 -0.16 0.00 0.36 0.00 0.00 54.97 57.18 2kb4 s GLU 27 Cb -0.16 -3.20 0.17 0.00 0.26 0.00 0.00 34.13 31.20 2kb4 s GLU 27 CO 0.08 -0.08 1.07 -1.12 -0.54 0.00 0.00 175.26 174.68 2kb4 s SER 28 N -0.10 6.77 0.21 -1.70 0.01 -1.26 -5.01 113.70 112.62 2kb4 s SER 28 Ca 0.51 -2.45 -0.32 0.00 1.31 0.00 0.00 55.95 55.01 2kb4 s SER 28 Cb -0.34 -2.33 -0.11 0.00 0.21 0.00 0.00 66.02 63.44 2kb4 s SER 28 CO 0.40 -0.83 1.67 -0.55 0.41 0.00 0.00 173.24 174.34 2kb4 s SER 29 N 2.97 6.43 -0.14 2.44 0.15 -1.26 -4.99 113.70 119.29 2kb4 s SER 29 Ca 0.30 2.82 0.00 0.00 0.70 0.00 0.00 55.95 59.77 2kb4 s SER 29 Cb -0.06 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.67 2kb4 s SER 29 CO -0.08 -0.93 -0.14 0.28 1.20 0.00 0.00 173.24 173.57 2kb4 s THR 30 N 1.06 1.50 -0.99 6.45 -1.32 -1.26 -5.03 115.64 116.05 2kb4 s THR 30 Ca 0.73 -0.59 -0.02 0.00 -1.21 0.00 0.00 61.69 60.59 2kb4 s THR 30 Cb -0.48 -1.41 0.29 0.00 -1.51 0.00 0.00 72.50 69.39 2kb4 s THR 30 CO 0.33 0.45 1.26 0.61 -2.21 0.00 0.00 174.62 175.06 2kb4 n GLY 31 N 4.72 4.96 3.75 6.08 0.00 -1.26 -5.05 105.19 118.39 2kb4 n GLY 31 Ca -0.17 -2.68 -0.41 0.00 0.00 0.00 0.00 46.02 42.76 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 -2.52 2.83 0.14 2.61 2.01 -1.26 -5.01 115.64 114.45 2kb4 s THR 32 Ca 0.33 0.75 -0.23 0.00 0.31 0.00 0.00 61.69 62.85 2kb4 s THR 32 Cb 0.05 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 2kb4 s THR 32 CO 0.05 0.14 0.71 0.00 -0.69 0.00 0.00 174.62 174.84 2kb4 s ALA 33 N -0.47 3.49 -0.51 7.40 0.00 -1.26 -4.99 121.76 125.42 2kb4 s ALA 33 Ca 0.54 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 2kb4 s ALA 33 Cb -0.39 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2kb4 s ALA 33 CO 0.46 0.33 1.56 -2.14 0.00 0.00 0.00 175.76 175.97 2kb4 s PRO 34 N -1.22 3.23 -1.22 0.00 0.02 -1.26 -4.90 135.00 129.65 2kb4 s PRO 34 Ca 0.34 0.72 -0.08 0.00 0.02 0.00 0.00 61.00 62.00 2kb4 s PRO 34 Cb -0.21 -4.17 0.21 0.00 0.02 0.00 0.00 34.50 30.34 2kb4 s PRO 34 CO 0.24 -2.01 1.76 0.00 -0.33 0.00 0.00 177.00 176.66 2kb4 n ALA 35 N 10.15 5.32 -3.06 -1.55 0.00 -1.26 -4.89 120.51 125.22 2kb4 n ALA 35 Ca 0.16 -4.46 -0.12 0.00 0.00 0.00 0.00 53.44 49.02 2kb4 n ALA 35 Cb 0.49 -2.80 -0.12 0.00 0.00 0.00 0.00 19.45 17.03 2kb4 n ALA 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kb4 s SER 36 N 0.09 -0.09 -0.40 0.00 0.15 -1.26 -4.63 113.70 107.56 2kb4 s SER 36 Ca 0.37 0.11 -0.07 0.00 0.70 0.00 0.00 55.95 57.07 2kb4 s SER 36 Cb 0.08 0.28 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 2kb4 s SER 36 CO 0.03 -0.17 0.46 0.41 1.20 0.00 0.00 173.24 175.17 2kb4 n THR 37 N 2.42 -8.14 0.00 6.45 -1.04 -1.26 -4.60 114.28 108.11 2kb4 n THR 37 Ca -0.16 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2kb4 n THR 37 Cb 0.58 -6.20 0.00 0.00 -1.82 0.00 0.00 70.33 62.88 2kb4 n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb4 n GLY 38 N -0.85 2.81 0.11 3.41 0.00 -1.26 -4.94 105.19 104.47 2kb4 n GLY 38 Ca 0.05 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 0.00 0.06 0.00 4.61 0.00 -1.81 -3.19 119.26 118.93 2kb4 h ALA 39 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kb4 h ALA 39 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kb4 h ALA 39 CO 0.00 0.14 -0.23 -0.85 0.00 0.00 0.00 179.25 178.31 2kb4 n GLU 40 N -4.46 0.10 0.24 0.00 0.00 -1.26 -3.59 120.64 111.67 2kb4 n GLU 40 Ca -0.09 0.05 0.07 0.00 0.00 0.00 0.00 57.16 57.19 2kb4 n GLU 40 Cb 0.52 -1.59 0.58 0.00 0.00 0.00 0.00 31.44 30.95 2kb4 n GLU 40 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2kb4 h ASN 41 N 0.00 0.00 -3.99 -1.84 -1.24 -1.93 -3.32 115.58 103.26 2kb4 h ASN 41 Ca 0.00 0.00 -0.73 0.00 0.71 0.00 0.00 56.30 56.28 2kb4 h ASN 41 Cb 0.58 0.00 -0.32 0.00 0.73 0.00 0.00 38.32 39.31 2kb4 h ASN 41 CO 0.00 0.12 -0.16 -0.76 -1.29 0.00 0.00 177.43 175.34 2kb4 s LEU 42 N -8.53 5.80 -0.17 0.34 2.01 -1.24 -4.87 118.68 112.03 2kb4 s LEU 42 Ca -0.04 -2.90 0.17 0.00 0.01 0.00 0.00 54.13 51.36 2kb4 s LEU 42 Cb 0.16 -1.99 0.76 0.00 0.01 0.00 0.00 46.19 45.13 2kb4 s LEU 42 CO 0.67 -0.42 1.68 -0.81 1.01 0.00 0.00 176.35 178.48 2kb4 n PRO 43 N 3.52 4.22 -3.66 1.29 -0.04 -1.25 -4.87 135.00 134.21 2kb4 n PRO 43 Ca 0.12 -3.01 -0.13 0.00 -0.04 0.00 0.00 63.50 60.43 2kb4 n PRO 43 Cb 0.41 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.75 2kb4 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 s ALA 44 N -2.26 -1.05 -0.28 0.55 0.00 -1.26 -4.87 121.76 112.59 2kb4 s ALA 44 Ca 0.53 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 2kb4 s ALA 44 Cb 0.37 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2kb4 s ALA 44 CO 0.21 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2kb4 n GLY 45 N 0.59 0.24 3.94 0.00 0.00 -1.26 -5.00 105.19 103.71 2kb4 n GLY 45 Ca -0.19 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.85 5.60 0.48 1.61 0.01 -1.26 -4.87 113.70 112.40 2kb4 s SER 46 Ca 0.00 0.37 -0.02 0.00 1.31 0.00 0.00 55.95 57.61 2kb4 s SER 46 Cb -0.00 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 2kb4 s SER 46 CO 0.00 -0.95 0.73 0.00 0.41 0.00 0.00 173.24 173.44 2kb4 s ALA 47 N -2.77 3.59 0.12 1.44 0.00 -1.26 -2.04 121.76 120.84 2kb4 s ALA 47 Ca 0.52 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2kb4 s ALA 47 Cb -0.10 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 2kb4 s ALA 47 CO 0.41 -0.44 -0.08 -0.48 0.00 0.00 0.00 175.76 175.17 2kb4 s LEU 48 N -4.66 2.52 -0.07 0.00 2.34 -0.21 -1.93 118.68 116.67 2kb4 s LEU 48 Ca 0.49 -1.01 0.04 0.00 0.06 0.00 0.00 54.13 53.71 2kb4 s LEU 48 Cb -0.10 -0.19 -0.00 0.00 -0.56 0.00 0.00 46.19 45.33 2kb4 s LEU 48 CO 0.40 -0.40 -0.21 -1.48 -1.06 0.00 0.00 176.35 173.60 2kb4 s LEU 49 N -3.09 1.97 -0.27 1.48 2.34 -0.51 -0.80 118.68 119.80 2kb4 s LEU 49 Ca 0.14 -0.45 -0.05 0.00 0.06 0.00 0.00 54.13 53.82 2kb4 s LEU 49 Cb 0.04 -1.19 0.01 0.00 -0.56 0.00 0.00 46.19 44.48 2kb4 s LEU 49 CO -0.02 0.16 0.03 0.68 -1.06 0.00 0.00 176.35 176.14 2kb4 s VAL 50 N 0.17 3.69 -0.34 1.48 -7.23 0.35 -1.79 120.40 116.73 2kb4 s VAL 50 Ca -0.10 -0.66 -0.18 0.00 -1.81 0.00 0.00 61.98 59.22 2kb4 s VAL 50 Cb -0.15 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 2kb4 s VAL 50 CO 0.05 0.19 0.53 -0.69 -0.31 0.00 0.00 175.10 174.87 2kb4 s VAL 51 N 1.48 5.00 0.13 1.32 1.01 0.53 -0.25 120.40 129.63 2kb4 s VAL 51 Ca 0.03 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 2kb4 s VAL 51 Cb -0.16 -3.96 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 2kb4 s VAL 51 CO 0.00 -0.19 1.38 0.50 0.00 0.00 0.00 175.10 176.79 2kb4 h LYS 52 N 8.40 0.72 -0.21 2.72 1.63 -1.60 -3.25 116.57 124.97 2kb4 h LYS 52 Ca -0.28 -0.54 0.26 0.00 -0.85 0.00 0.00 60.65 59.25 2kb4 h LYS 52 Cb 1.12 0.10 -0.22 0.00 -0.60 0.00 0.00 32.23 32.63 2kb4 h LYS 52 CO 0.77 1.16 0.24 0.50 -3.45 0.00 0.00 179.45 178.67 2kb4 s ARG 53 N -3.85 0.11 0.33 1.90 3.52 -1.01 -4.94 118.95 115.01 2kb4 s ARG 53 Ca -0.09 0.20 0.08 0.00 -0.13 0.00 0.00 55.73 55.79 2kb4 s ARG 53 Cb 0.10 0.11 -0.06 0.00 -1.56 0.00 0.00 34.95 33.54 2kb4 s ARG 53 CO 0.88 -0.11 -0.05 0.20 -0.81 0.00 0.00 175.30 175.41 2kb4 s GLY 54 N 2.88 2.10 0.48 8.12 0.00 0.27 -1.48 107.32 119.69 2kb4 s GLY 54 Ca -0.05 -2.06 0.26 0.00 0.00 0.00 0.00 44.72 42.88 2kb4 s GLY 54 CO -0.10 -1.95 1.93 -0.56 0.00 0.00 0.00 173.10 172.42 2kb4 h PRO 55 N 2.08 0.00 0.00 2.90 0.13 -1.95 -3.30 132.00 131.86 2kb4 h PRO 55 Ca -0.41 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.36 2kb4 h PRO 55 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2kb4 h PRO 55 CO 0.71 0.17 -2.12 0.27 -0.23 0.00 0.00 178.00 176.80 2kb4 n ASN 56 N -3.43 1.94 -1.67 1.44 6.94 -1.26 -1.31 115.26 117.91 2kb4 n ASN 56 Ca -0.00 0.35 -0.05 0.00 -0.02 0.00 0.00 54.58 54.85 2kb4 n ASN 56 Cb 0.35 -0.82 -0.02 0.00 -2.36 0.00 0.00 39.78 36.94 2kb4 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb4 n ALA 57 N -4.20 0.06 -2.69 -2.53 0.00 -1.24 -4.77 120.51 105.14 2kb4 n ALA 57 Ca -0.45 -0.57 -0.05 0.00 0.00 0.00 0.00 53.44 52.38 2kb4 n ALA 57 Cb 0.79 0.46 0.12 0.00 0.00 0.00 0.00 19.45 20.82 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 -0.19 1.57 0.00 0.00 0.00 -1.26 -0.56 105.19 104.74 2kb4 n GLY 58 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.97 0.00 -2.90 4.61 0.00 -1.23 -4.79 120.51 115.23 2kb4 n ALA 59 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.09 2kb4 n ALA 59 Cb 0.86 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.96 1.80 -0.05 0.00 1.70 -1.26 -0.34 118.95 118.84 2kb4 s ARG 60 Ca 0.00 -0.62 -0.25 0.00 -0.47 0.00 0.00 55.73 54.40 2kb4 s ARG 60 Cb 0.00 -1.57 0.05 0.00 -0.57 0.00 0.00 34.95 32.87 2kb4 s ARG 60 CO 0.00 0.25 0.55 -0.59 -1.08 0.00 0.00 175.30 174.43 2kb4 s PHE 61 N 0.04 -0.50 0.04 5.89 -0.71 -0.74 -5.00 117.98 117.00 2kb4 s PHE 61 Ca -0.04 0.87 -0.13 0.00 -1.04 0.00 0.00 56.93 56.59 2kb4 s PHE 61 Cb -0.12 0.29 -0.06 0.00 -1.21 0.00 0.00 43.02 41.93 2kb4 s PHE 61 CO 0.02 -0.52 0.43 -0.51 -1.34 0.00 0.00 175.22 173.30 2kb4 s LEU 62 N -1.13 4.43 -0.27 -1.99 1.02 -1.26 -1.42 118.68 118.05 2kb4 s LEU 62 Ca -0.11 0.94 -0.29 0.00 0.02 0.00 0.00 54.13 54.69 2kb4 s LEU 62 Cb -0.02 -2.78 -0.01 0.00 0.02 0.00 0.00 46.19 43.40 2kb4 s LEU 62 CO 0.07 0.26 1.37 -0.76 0.02 0.00 0.00 176.35 177.31 2kb4 s LEU 63 N -1.41 3.90 0.00 1.79 2.01 -0.81 -4.84 118.68 119.32 2kb4 s LEU 63 Ca 0.28 1.32 0.08 0.00 0.01 0.00 0.00 54.13 55.82 2kb4 s LEU 63 Cb -0.16 -3.54 0.21 0.00 0.01 0.00 0.00 46.19 42.71 2kb4 s LEU 63 CO 0.16 -1.10 1.14 0.47 1.01 0.00 0.00 176.35 178.03 2kb4 n ASP 64 N 7.73 2.58 -3.89 2.29 8.00 -1.26 -4.72 116.55 127.29 2kb4 n ASP 64 Ca 0.16 -1.93 -0.17 0.00 0.71 0.00 0.00 54.79 53.56 2kb4 n ASP 64 Cb 0.46 -0.15 -0.15 0.00 -0.02 0.00 0.00 41.12 41.25 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2kb4 s GLN 65 N -0.97 0.42 0.07 -1.24 0.74 -1.26 -4.81 119.66 112.61 2kb4 s GLN 65 Ca 0.16 -0.06 -0.27 0.00 0.05 0.00 0.00 55.36 55.25 2kb4 s GLN 65 Cb 0.09 -0.48 -0.12 0.00 1.10 0.00 0.00 33.01 33.60 2kb4 s GLN 65 CO 0.12 -0.02 1.42 -1.00 -0.55 0.00 0.00 175.29 175.25 2kb4 h PRO 66 N 6.69 -0.62 -4.82 1.67 0.13 -1.89 -3.39 132.00 129.78 2kb4 h PRO 66 Ca -0.35 0.04 -0.68 0.00 -0.87 0.00 0.00 66.00 64.14 2kb4 h PRO 66 Cb 1.16 0.14 -0.34 0.00 0.13 0.00 0.00 31.00 32.09 2kb4 h PRO 66 CO 0.49 -0.41 -0.74 0.99 -0.23 0.00 0.00 178.00 178.10 2kb4 s THR 67 N -5.10 2.71 -0.30 1.56 2.01 -1.26 -1.53 115.64 113.72 2kb4 s THR 67 Ca -0.13 -1.42 -0.06 0.00 0.31 0.00 0.00 61.69 60.39 2kb4 s THR 67 Cb 0.04 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 70.03 2kb4 s THR 67 CO 0.46 -0.04 0.07 -0.89 -0.69 0.00 0.00 174.62 173.52 2kb4 s THR 68 N 1.21 3.77 -0.13 -0.82 2.01 0.18 -5.00 115.64 116.88 2kb4 s THR 68 Ca -0.06 -0.85 -0.14 0.00 0.31 0.00 0.00 61.69 60.96 2kb4 s THR 68 Cb -0.19 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 2kb4 s THR 68 CO -0.03 0.03 0.31 0.28 -0.69 0.00 0.00 174.62 174.52 2kb4 s THR 69 N 1.45 5.27 -0.10 -0.82 -1.32 -1.26 -0.07 115.64 118.80 2kb4 s THR 69 Ca 0.01 0.59 0.01 0.00 -1.21 0.00 0.00 61.69 61.10 2kb4 s THR 69 Cb -0.18 -3.64 0.02 0.00 -1.51 0.00 0.00 72.50 67.20 2kb4 s THR 69 CO 0.02 0.44 -0.12 0.00 -2.21 0.00 0.00 174.62 172.75 2kb4 s ALA 70 N 0.06 1.43 0.00 11.08 0.00 0.12 -1.83 121.76 132.61 2kb4 s ALA 70 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2kb4 s ALA 70 Cb -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2kb4 s ALA 70 CO 0.06 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2kb4 n GLY 71 N 4.34 0.89 2.85 0.00 0.00 -1.08 -0.66 105.19 111.54 2kb4 n GLY 71 Ca -0.18 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 2kb4 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb4 s ARG 72 N -3.28 1.82 0.34 1.61 3.00 -1.25 -1.76 118.95 119.43 2kb4 s ARG 72 Ca 0.00 -2.56 0.00 0.00 -1.00 0.00 0.00 55.73 52.17 2kb4 s ARG 72 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 34.95 31.98 2kb4 s ARG 72 CO 0.00 -1.17 0.00 0.72 0.00 0.00 0.00 175.30 174.85 2kb4 n HIS 73 N 3.00 -2.67 0.31 5.12 8.25 -1.19 -2.45 115.22 125.59 2kb4 n HIS 73 Ca 0.10 1.39 0.20 0.00 -0.26 0.00 0.00 57.72 59.15 2kb4 n HIS 73 Cb 0.34 -2.43 0.93 0.00 1.12 0.00 0.00 29.99 29.95 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kb4 h PRO 74 N -0.99 0.00 0.00 -0.41 0.11 -1.96 -2.96 132.00 125.79 2kb4 h PRO 74 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2kb4 h PRO 74 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2kb4 h PRO 74 CO 0.03 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.22 2kb4 n GLU 75 N -3.11 0.79 -2.18 1.05 1.02 -1.26 -4.74 120.64 112.21 2kb4 n GLU 75 Ca -0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.86 2kb4 n GLU 75 Cb 0.20 -1.11 0.13 0.00 -0.02 0.00 0.00 31.44 30.63 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kb4 s SER 76 N -1.39 4.00 0.04 1.62 1.04 -1.02 -5.01 113.70 112.99 2kb4 s SER 76 Ca 0.08 0.18 -0.30 0.00 0.48 0.00 0.00 55.95 56.40 2kb4 s SER 76 Cb 0.04 -0.51 -0.18 0.00 0.10 0.00 0.00 66.02 65.48 2kb4 s SER 76 CO 0.07 -2.13 1.43 -0.78 0.98 0.00 0.00 173.24 172.80 2kb4 h ASP 77 N -1.02 -0.67 -3.22 7.02 1.82 -1.68 -3.40 116.42 115.27 2kb4 h ASP 77 Ca -0.42 -0.02 -0.58 0.00 -0.39 0.00 0.00 57.03 55.61 2kb4 h ASP 77 Cb 1.27 0.17 -0.35 0.00 0.68 0.00 0.00 39.33 41.10 2kb4 h ASP 77 CO 0.46 -0.38 -0.83 0.27 -1.61 0.00 0.00 179.24 177.15 2kb4 s ILE 78 N -5.44 1.45 -0.27 2.25 -0.00 -1.23 -5.08 121.20 112.88 2kb4 s ILE 78 Ca -0.16 -0.59 -0.11 0.00 -0.00 0.00 0.00 60.65 59.78 2kb4 s ILE 78 Cb 0.03 -1.35 -0.05 0.00 -0.00 0.00 0.00 42.46 41.09 2kb4 s ILE 78 CO 0.56 0.43 0.21 0.72 -0.00 0.00 0.00 174.94 176.86 2kb4 s PHE 79 N 1.19 3.25 0.09 1.37 -0.71 -1.26 -2.62 117.98 119.30 2kb4 s PHE 79 Ca -0.03 0.19 -0.31 0.00 -1.04 0.00 0.00 56.93 55.75 2kb4 s PHE 79 Cb -0.14 -2.37 -0.08 0.00 -1.21 0.00 0.00 43.02 39.22 2kb4 s PHE 79 CO -0.05 -0.10 1.41 -0.51 -1.34 0.00 0.00 175.22 174.63 2kb4 s LEU 80 N 1.58 4.36 -0.19 -1.99 1.02 -1.26 -4.29 118.68 117.90 2kb4 s LEU 80 Ca 0.08 2.30 0.15 0.00 0.02 0.00 0.00 54.13 56.68 2kb4 s LEU 80 Cb -0.15 -3.58 0.43 0.00 0.02 0.00 0.00 46.19 42.90 2kb4 s LEU 80 CO 0.09 -0.68 1.31 -0.67 0.02 0.00 0.00 176.35 176.42 2kb4 n ASP 81 N 4.27 2.66 -0.97 2.29 2.03 -0.43 -4.80 116.55 121.60 2kb4 n ASP 81 Ca 0.12 -3.38 0.00 0.00 0.52 0.00 0.00 54.79 52.05 2kb4 n ASP 81 Cb 0.42 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kb4 n ASP 82 N -1.07 0.38 -0.19 1.67 5.75 -1.25 -5.02 116.55 116.82 2kb4 n ASP 82 Ca 0.22 -0.48 0.12 0.00 -0.01 0.00 0.00 54.79 54.64 2kb4 n ASP 82 Cb 0.81 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 41.15 2kb4 n ASP 82 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 2kb4 n VAL 83 N -0.39 0.00 0.88 2.12 3.14 -1.26 -3.97 118.33 118.85 2kb4 n VAL 83 Ca 0.00 -0.10 0.04 0.00 -2.96 0.00 0.00 64.34 61.32 2kb4 n VAL 83 Cb 0.00 0.51 0.13 0.00 -1.06 0.00 0.00 33.84 33.43 2kb4 n VAL 83 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2kb4 n THR 84 N -0.87 0.56 -2.64 1.55 -1.04 -1.26 -4.81 114.28 105.77 2kb4 n THR 84 Ca 0.09 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 2kb4 n THR 84 Cb 0.36 0.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.85 2kb4 n THR 84 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2kb4 s VAL 85 N -1.64 4.05 -0.24 12.58 1.01 -1.25 -4.90 120.40 130.01 2kb4 s VAL 85 Ca 0.19 0.64 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 2kb4 s VAL 85 Cb 0.11 -4.72 0.10 0.00 0.00 0.00 0.00 36.38 31.87 2kb4 s VAL 85 CO 0.11 -1.39 2.29 -1.20 0.00 0.00 0.00 175.10 174.90 2kb4 n SER 86 N 8.38 6.10 0.00 3.32 7.64 -1.26 -4.82 113.62 132.98 2kb4 n SER 86 Ca 0.06 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.05 2kb4 n SER 86 Cb 0.49 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2kb4 n SER 86 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kb4 n ARG 87 N 0.90 0.00 -3.68 1.43 1.74 -1.26 -4.52 116.66 111.27 2kb4 n ARG 87 Ca 0.27 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.15 2kb4 n ARG 87 Cb 0.59 -0.03 -0.18 0.00 -1.02 0.00 0.00 32.46 31.82 2kb4 n ARG 87 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2kb4 s ARG 88 N 0.00 -0.04 0.00 5.56 3.52 -1.16 -3.16 118.95 123.67 2kb4 s ARG 88 Ca 0.00 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 2kb4 s ARG 88 Cb 0.00 -0.53 0.00 0.00 -1.56 0.00 0.00 34.95 32.86 2kb4 s ARG 88 CO 0.00 -0.32 0.00 1.58 -0.81 0.00 0.00 175.30 175.75 2kb4 n HIS 89 N 5.26 0.00 -4.89 5.12 -0.00 -0.72 -4.34 115.22 115.65 2kb4 n HIS 89 Ca -0.04 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.83 2kb4 n HIS 89 Cb 0.50 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.23 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 -2.63 2.41 -0.11 1.57 0.00 0.17 -0.08 121.76 123.09 2kb4 s ALA 90 Ca 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.81 2kb4 s ALA 90 Cb 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.48 2kb4 s ALA 90 CO 0.00 0.55 -0.21 -1.21 0.00 0.00 0.00 175.76 174.89 2kb4 s GLU 91 N -1.13 2.78 -0.34 0.00 0.41 0.64 0.15 118.70 121.22 2kb4 s GLU 91 Ca 0.12 -0.78 -0.11 0.00 -0.41 0.00 0.00 54.97 53.80 2kb4 s GLU 91 Cb -0.10 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 30.05 2kb4 s GLU 91 CO 0.02 0.06 0.19 -0.06 -0.49 0.00 0.00 175.26 174.98 2kb4 s PHE 92 N 0.64 3.21 0.07 1.61 0.40 0.91 -1.11 117.98 123.71 2kb4 s PHE 92 Ca -0.12 -0.66 0.10 0.00 -0.60 0.00 0.00 56.93 55.64 2kb4 s PHE 92 Cb -0.16 -2.41 -0.03 0.00 0.51 0.00 0.00 43.02 40.93 2kb4 s PHE 92 CO 0.03 -0.52 -0.26 1.03 0.70 0.00 0.00 175.22 176.20 2kb4 s ARG 93 N 1.61 1.64 -0.11 0.44 0.52 -0.37 -0.64 118.95 122.02 2kb4 s ARG 93 Ca 0.04 -1.17 0.01 0.00 -0.52 0.00 0.00 55.73 54.10 2kb4 s ARG 93 Cb -0.18 -1.90 -0.01 0.00 0.52 0.00 0.00 34.95 33.38 2kb4 s ARG 93 CO 0.07 0.48 -0.16 -1.50 0.02 0.00 0.00 175.30 174.20 2kb4 s ILE 94 N -0.89 2.75 0.07 1.52 2.07 -0.58 -1.57 121.20 124.58 2kb4 s ILE 94 Ca 0.12 -0.78 0.09 0.00 -1.41 0.00 0.00 60.65 58.67 2kb4 s ILE 94 Cb -0.10 -2.12 -0.03 0.00 0.13 0.00 0.00 42.46 40.34 2kb4 s ILE 94 CO 0.03 0.54 -0.24 0.21 -1.91 0.00 0.00 174.94 173.58 2kb4 s ASN 95 N 0.25 3.43 0.02 4.50 3.84 0.10 -4.56 114.94 122.51 2kb4 s ASN 95 Ca -0.11 -0.58 0.07 0.00 0.21 0.00 0.00 52.86 52.45 2kb4 s ASN 95 Cb -0.16 -0.38 0.30 0.00 -0.55 0.00 0.00 41.25 40.46 2kb4 s ASN 95 CO 0.06 0.23 1.22 -1.84 -2.79 0.00 0.00 177.10 173.98 2kb4 n GLU 96 N 1.44 0.01 -0.11 0.43 0.00 -1.26 -2.47 120.64 118.68 2kb4 n GLU 96 Ca -0.17 0.41 -0.16 0.00 0.00 0.00 0.00 57.16 57.24 2kb4 n GLU 96 Cb 0.52 -1.53 -0.09 0.00 0.00 0.00 0.00 31.44 30.34 2kb4 n GLU 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kb4 n GLY 97 N -0.90 -0.30 3.15 -1.84 0.00 -1.26 -5.07 105.19 98.97 2kb4 n GLY 97 Ca 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2kb4 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb4 s GLU 98 N -2.42 0.83 -0.23 1.61 0.41 -1.03 -5.14 118.70 112.73 2kb4 s GLU 98 Ca -0.29 -1.29 -0.06 0.00 -0.41 0.00 0.00 54.97 52.92 2kb4 s GLU 98 Cb 0.08 0.25 -0.02 0.00 -1.78 0.00 0.00 34.13 32.66 2kb4 s GLU 98 CO 0.47 -0.22 0.02 -0.06 -0.49 0.00 0.00 175.26 174.98 2kb4 s PHE 99 N -3.98 3.04 -0.04 1.61 0.40 -1.26 -0.72 117.98 117.03 2kb4 s PHE 99 Ca 0.15 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 2kb4 s PHE 99 Cb 0.07 -2.17 -0.00 0.00 0.51 0.00 0.00 43.02 41.43 2kb4 s PHE 99 CO -0.04 -0.38 -0.18 -1.21 0.70 0.00 0.00 175.22 174.12 2kb4 s GLU 100 N 1.42 1.83 -0.25 0.44 2.02 -0.61 -0.47 118.70 123.09 2kb4 s GLU 100 Ca 0.05 -0.63 -0.06 0.00 0.02 0.00 0.00 54.97 54.35 2kb4 s GLU 100 Cb -0.15 -1.59 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 2kb4 s GLU 100 CO 0.01 0.26 0.03 0.54 0.02 0.00 0.00 175.26 176.13 2kb4 s VAL 101 N -0.00 3.96 -0.09 2.63 0.11 0.32 -1.24 120.40 126.09 2kb4 s VAL 101 Ca -0.03 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 2kb4 s VAL 101 Cb -0.11 -2.86 -0.01 0.00 -1.53 0.00 0.00 36.38 31.87 2kb4 s VAL 101 CO 0.02 0.34 -0.22 0.68 -3.33 0.00 0.00 175.10 172.58 2kb4 s VAL 102 N 1.56 2.23 -0.30 2.04 -7.23 -0.26 -0.37 120.40 118.06 2kb4 s VAL 102 Ca 0.06 -0.97 -0.09 0.00 -1.81 0.00 0.00 61.98 59.17 2kb4 s VAL 102 Cb -0.15 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 2kb4 s VAL 102 CO 0.01 0.56 0.13 -0.62 -0.31 0.00 0.00 175.10 174.87 2kb4 s ASP 103 N 0.17 5.42 0.00 4.85 -1.08 -0.55 -0.26 116.67 125.22 2kb4 s ASP 103 Ca -0.13 -0.48 0.26 0.00 -0.52 0.00 0.00 52.55 51.69 2kb4 s ASP 103 Cb -0.16 -1.97 0.99 0.00 -1.46 0.00 0.00 42.92 40.31 2kb4 s ASP 103 CO 0.07 -0.16 1.71 1.33 0.52 0.00 0.00 175.17 178.63 2kb4 n VAL 104 N 4.96 0.05 -2.13 1.11 0.24 0.88 -3.22 118.33 120.21 2kb4 n VAL 104 Ca -0.14 -0.27 -0.08 0.00 -2.04 0.00 0.00 64.34 61.81 2kb4 n VAL 104 Cb 0.49 0.47 0.08 0.00 -1.47 0.00 0.00 33.84 33.41 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 1.17 4.48 0.00 7.63 0.00 -1.17 -4.86 105.19 112.43 2kb4 n GLY 105 Ca 0.18 -1.76 0.02 0.00 0.00 0.00 0.00 46.02 44.46 2kb4 n GLY 105 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kb4 n SER 106 N -0.64 0.00 0.26 1.61 3.41 -1.20 -2.36 113.62 114.69 2kb4 n SER 106 Ca 0.25 -0.76 0.14 0.00 -0.26 0.00 0.00 58.87 58.24 2kb4 n SER 106 Cb 0.88 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 65.43 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kb4 h LEU 107 N 0.00 0.00 0.00 1.04 3.38 -1.90 -1.27 115.31 116.56 2kb4 h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kb4 h LEU 107 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kb4 h LEU 107 CO 0.00 0.08 0.00 0.59 0.09 0.00 0.00 178.44 179.20 2kb4 n ASN 108 N -3.21 0.00 -0.84 -0.43 3.02 -1.00 -4.92 115.26 107.89 2kb4 n ASN 108 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2kb4 n ASN 108 Cb 0.35 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kb4 n GLY 109 N 0.99 -0.02 3.68 7.41 0.00 -0.48 -4.88 105.19 111.88 2kb4 n GLY 109 Ca 0.10 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.93 4.81 -0.08 2.61 2.01 -1.24 -4.64 115.64 118.17 2kb4 s THR 110 Ca 0.00 1.88 0.03 0.00 0.31 0.00 0.00 61.69 63.91 2kb4 s THR 110 Cb 0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 2kb4 s THR 110 CO 0.00 -0.01 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.45 2kb4 s TYR 111 N 2.24 2.69 -0.31 4.92 2.02 -0.77 -0.30 117.35 127.83 2kb4 s TYR 111 Ca 0.44 -0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 56.62 2kb4 s TYR 111 Cb -0.17 -1.71 0.04 0.00 -0.40 0.00 0.00 41.96 39.72 2kb4 s TYR 111 CO 0.14 -0.07 0.04 0.14 -1.57 0.00 0.00 175.55 174.23 2kb4 s VAL 112 N -0.16 3.30 -1.48 0.71 -7.23 0.90 -0.05 120.40 116.39 2kb4 s VAL 112 Ca -0.01 -1.25 -0.07 0.00 -1.81 0.00 0.00 61.98 58.83 2kb4 s VAL 112 Cb -0.14 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.96 2kb4 s VAL 112 CO 0.03 -0.11 0.76 -3.20 -0.31 0.00 0.00 175.10 172.27 2kb4 n ASN 113 N 4.70 -5.83 0.00 4.85 5.15 0.35 -0.99 115.26 123.49 2kb4 n ASN 113 Ca -0.13 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 2kb4 n ASN 113 Cb 0.44 -4.68 0.00 0.00 -0.53 0.00 0.00 39.78 35.01 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kb4 n ARG 114 N -4.28 0.00 -3.19 1.20 1.74 -1.26 -5.00 116.66 105.86 2kb4 n ARG 114 Ca -0.06 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.61 2kb4 n ARG 114 Cb 0.59 -2.23 -0.07 0.00 -1.02 0.00 0.00 32.46 29.73 2kb4 n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2kb4 s GLU 115 N -0.09 3.72 -0.02 5.56 2.56 -0.16 -4.93 118.70 125.35 2kb4 s GLU 115 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 54.97 54.68 2kb4 s GLU 115 Cb 0.00 -3.78 -0.06 0.00 2.00 0.00 0.00 34.13 32.29 2kb4 s GLU 115 CO 0.00 -0.62 1.65 -1.25 -0.56 0.00 0.00 175.26 174.48 2kb4 s PRO 116 N 2.49 4.19 0.15 4.30 0.04 -1.26 -0.07 135.00 144.84 2kb4 s PRO 116 Ca 0.21 2.23 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2kb4 s PRO 116 Cb -0.15 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 2kb4 s PRO 116 CO 0.13 -0.81 0.00 1.03 0.04 0.00 0.00 177.00 177.39 2kb4 s ARG 117 N 3.63 1.02 -0.26 4.56 1.81 0.59 -4.95 118.95 125.35 2kb4 s ARG 117 Ca 0.74 -1.47 -0.08 0.00 -1.72 0.00 0.00 55.73 53.19 2kb4 s ARG 117 Cb -0.35 -0.15 -0.15 0.00 -0.45 0.00 0.00 34.95 33.85 2kb4 s ARG 117 CO 0.31 -0.14 -0.24 -1.71 -0.68 0.00 0.00 175.30 172.84 2kb4 n ASN 118 N -0.17 1.97 -3.90 0.23 4.05 -1.26 -4.25 115.26 111.92 2kb4 n ASN 118 Ca -0.07 0.16 -0.11 0.00 0.45 0.00 0.00 54.58 55.00 2kb4 n ASN 118 Cb 0.63 -0.68 -0.13 0.00 1.23 0.00 0.00 39.78 40.82 2kb4 n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kb4 s ALA 119 N -2.51 0.04 0.00 5.20 0.00 -1.26 -1.49 121.76 121.75 2kb4 s ALA 119 Ca -0.36 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.48 2kb4 s ALA 119 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2kb4 s ALA 119 CO 0.55 -0.03 -0.07 -1.14 0.00 0.00 0.00 175.76 175.07 2kb4 s GLN 120 N -0.33 0.57 -0.03 0.00 2.00 0.50 -5.00 119.66 117.36 2kb4 s GLN 120 Ca -0.04 -0.31 -0.18 0.00 -2.00 0.00 0.00 55.36 52.83 2kb4 s GLN 120 Cb -0.02 -0.53 -0.05 0.00 0.80 0.00 0.00 33.01 33.21 2kb4 s GLN 120 CO -0.00 0.14 0.52 0.54 -0.50 0.00 0.00 175.29 175.99 2kb4 s VAL 121 N -0.29 5.01 -0.29 1.34 0.11 -1.26 -0.52 120.40 124.50 2kb4 s VAL 121 Ca 0.02 1.07 -0.44 0.00 -2.93 0.00 0.00 61.98 59.70 2kb4 s VAL 121 Cb -0.03 -3.85 -0.20 0.00 -1.53 0.00 0.00 36.38 30.77 2kb4 s VAL 121 CO -0.00 0.43 1.42 1.15 -3.33 0.00 0.00 175.10 174.77 2kb4 n MET 122 N 2.76 0.14 -4.32 1.54 0.00 0.38 -4.94 117.12 112.69 2kb4 n MET 122 Ca -0.09 0.05 -0.27 0.00 0.00 0.00 0.00 57.70 57.39 2kb4 n MET 122 Cb 0.51 -1.57 -0.17 0.00 0.00 0.00 0.00 33.22 31.99 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 1.92 1.94 -0.11 3.17 0.74 -1.26 -4.99 119.66 121.06 2kb4 s GLN 123 Ca 0.99 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.65 2kb4 s GLN 123 Cb -1.36 -1.72 -0.02 0.00 1.10 0.00 0.00 33.01 31.01 2kb4 s GLN 123 CO 0.71 -0.11 1.08 0.95 -0.55 0.00 0.00 175.29 177.37 2kb4 s THR 124 N 1.13 4.60 0.00 -0.34 -4.23 -1.26 -2.58 115.64 112.96 2kb4 s THR 124 Ca -0.05 1.89 0.00 0.00 -1.18 0.00 0.00 61.69 62.35 2kb4 s THR 124 Cb -0.14 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.48 2kb4 s THR 124 CO -0.03 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2kb4 n GLY 125 N 3.22 0.70 3.88 3.99 0.00 0.21 -5.01 105.19 112.19 2kb4 n GLY 125 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.86 6.58 -0.14 1.61 2.15 -1.06 -4.85 116.67 118.09 2kb4 s ASP 126 Ca 0.00 0.92 -0.01 0.00 0.43 0.00 0.00 52.55 53.89 2kb4 s ASP 126 Cb 0.00 -2.23 -0.02 0.00 -0.30 0.00 0.00 42.92 40.38 2kb4 s ASP 126 CO 0.00 -0.14 -0.11 -1.61 -0.17 0.00 0.00 175.17 173.14 2kb4 s GLU 127 N -3.10 3.42 -0.33 4.34 2.02 -1.26 -1.11 118.70 122.68 2kb4 s GLU 127 Ca 0.47 -0.66 -0.17 0.00 0.02 0.00 0.00 54.97 54.64 2kb4 s GLU 127 Cb -0.11 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 2kb4 s GLU 127 CO 0.24 0.19 0.44 0.42 0.02 0.00 0.00 175.26 176.57 2kb4 s ILE 128 N 0.42 5.10 -0.19 -1.63 1.01 0.17 0.13 121.20 126.21 2kb4 s ILE 128 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2kb4 s ILE 128 Cb -0.16 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.46 2kb4 s ILE 128 CO 0.05 -0.12 -0.16 -1.10 0.00 0.00 0.00 174.94 173.61 2kb4 s GLN 129 N 2.20 3.03 -0.12 2.79 -0.21 0.93 -1.28 119.66 127.00 2kb4 s GLN 129 Ca 0.15 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.74 2kb4 s GLN 129 Cb -0.16 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.18 2kb4 s GLN 129 CO 0.12 -0.23 -0.18 0.96 -2.12 0.00 0.00 175.29 173.84 2kb4 s ILE 130 N 1.32 1.70 0.00 1.08 -4.36 -0.93 -1.85 121.20 118.16 2kb4 s ILE 130 Ca 0.04 -0.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.66 2kb4 s ILE 130 Cb -0.14 -1.53 0.00 0.00 1.25 0.00 0.00 42.46 42.04 2kb4 s ILE 130 CO -0.10 0.48 0.00 0.61 0.24 0.00 0.00 174.94 176.17 2kb4 n GLY 131 N 4.12 1.15 0.39 6.27 0.00 -1.26 -0.75 105.19 115.11 2kb4 n GLY 131 Ca -0.19 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.12 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 0.00 0.20 -3.53 1.61 5.02 -1.26 -5.09 118.16 115.11 2kb4 n LYS 132 Ca 0.00 -1.14 -0.32 0.00 -2.02 0.00 0.00 58.31 54.83 2kb4 n LYS 132 Cb 0.00 -0.63 -0.05 0.00 -0.02 0.00 0.00 35.03 34.33 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kb4 s PHE 133 N -0.35 3.45 -0.13 2.13 0.08 0.07 -5.08 117.98 118.14 2kb4 s PHE 133 Ca 0.04 0.72 0.01 0.00 0.12 0.00 0.00 56.93 57.82 2kb4 s PHE 133 Cb 0.03 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 2kb4 s PHE 133 CO 0.00 0.34 -0.16 1.03 -0.10 0.00 0.00 175.22 176.33 2kb4 s ARG 134 N -2.77 2.42 -0.09 0.44 0.52 -0.55 -2.20 118.95 116.73 2kb4 s ARG 134 Ca 0.44 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 2kb4 s ARG 134 Cb -0.12 -2.10 0.01 0.00 0.52 0.00 0.00 34.95 33.26 2kb4 s ARG 134 CO 0.23 -0.13 -0.19 -1.17 0.02 0.00 0.00 175.30 174.06 2kb4 s LEU 135 N 1.17 1.90 -0.17 2.53 0.20 -0.40 -1.59 118.68 122.32 2kb4 s LEU 135 Ca -0.01 -0.45 -0.05 0.00 0.69 0.00 0.00 54.13 54.31 2kb4 s LEU 135 Cb -0.14 -1.16 -0.03 0.00 -0.43 0.00 0.00 46.19 44.43 2kb4 s LEU 135 CO -0.06 0.11 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.40 2kb4 s VAL 136 N 0.48 4.04 -0.18 1.68 1.01 0.66 0.43 120.40 128.52 2kb4 s VAL 136 Ca -0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2kb4 s VAL 136 Cb -0.17 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2kb4 s VAL 136 CO 0.07 0.47 0.02 0.12 0.00 0.00 0.00 175.10 175.79 2kb4 s PHE 137 N 0.51 3.15 0.27 5.22 2.19 -0.27 -0.50 117.98 128.55 2kb4 s PHE 137 Ca -0.02 -0.10 0.02 0.00 0.33 0.00 0.00 56.93 57.16 2kb4 s PHE 137 Cb -0.14 -2.04 -0.05 0.00 -1.31 0.00 0.00 43.02 39.48 2kb4 s PHE 137 CO 0.02 0.05 0.07 -0.51 1.83 0.00 0.00 175.22 176.69 2kb4 s LEU 138 N 0.43 1.84 0.01 6.12 2.01 0.02 -0.62 118.68 128.50 2kb4 s LEU 138 Ca 0.00 -1.35 -0.17 0.00 0.01 0.00 0.00 54.13 52.62 2kb4 s LEU 138 Cb -0.13 -0.10 -0.06 0.00 0.01 0.00 0.00 46.19 45.90 2kb4 s LEU 138 CO 0.01 -0.67 0.47 0.00 1.01 0.00 0.00 176.35 177.18 2kb4 s ALA 139 N -3.61 3.64 0.44 4.21 0.00 -1.26 -1.04 121.76 124.13 2kb4 s ALA 139 Ca 0.36 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.27 2kb4 s ALA 139 Cb 0.08 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2kb4 s ALA 139 CO 0.13 0.41 0.51 0.20 0.00 0.00 0.00 175.76 177.01 2kb4 s GLY 140 N -0.92 2.02 0.70 0.00 0.00 -0.87 -4.73 107.32 103.52 2kb4 s GLY 140 Ca 0.26 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.09 2kb4 s GLY 140 CO 0.15 -1.60 1.08 2.56 0.00 0.00 0.00 173.10 175.29 2kb4 s PRO 141 N -4.30 2.84 -0.19 2.90 0.04 -1.26 -4.67 135.00 130.37 2kb4 s PRO 141 Ca 0.52 0.42 -0.04 0.00 0.04 0.00 0.00 61.00 61.93 2kb4 s PRO 141 Cb -0.07 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2kb4 s PRO 141 CO 0.31 -1.02 -0.02 0.00 0.04 0.00 0.00 177.00 176.31 2kb4 s ALA 142 N -3.34 2.98 -2.00 8.56 0.00 -1.26 -4.02 121.76 122.68 2kb4 s ALA 142 Ca 0.58 -0.97 0.19 0.00 0.00 0.00 0.00 51.96 51.76 2kb4 s ALA 142 Cb -0.11 -1.69 1.11 0.00 0.00 0.00 0.00 23.12 22.43 2kb4 s ALA 142 CO 0.51 -0.08 1.50 -0.85 0.00 0.00 0.00 175.76 176.85